Mock Version: 6.0
Mock Version: 6.0
Mock Version: 6.0
ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --noclean --target aarch64 --nodeps /builddir/build/SPECS/openbabel.spec'], chrootPath='/var/lib/mock/f42-build-58127741-6562580/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=<mockbuild.trace_decorator.getLog object at 0xffffab039590>timeout=201600uid=1000gid=425user='mockbuild'unshare_net=TrueprintOutput=Falsenspawn_args=['--capability=cap_ipc_lock', '--rlimit=RLIMIT_CORE=infinity', '--bind=/tmp/mock-resolv._jr7v_k9:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11'])
Using nspawn with args ['--capability=cap_ipc_lock', '--rlimit=RLIMIT_CORE=infinity', '--bind=/tmp/mock-resolv._jr7v_k9:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']
Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', '732bfbc813c44961a25a72fe8d249c0a', '-D', '/var/lib/mock/f42-build-58127741-6562580/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--rlimit=RLIMIT_CORE=infinity', '--bind=/tmp/mock-resolv._jr7v_k9:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;<mock-chroot>\\007"', '--setenv=PS1=<mock-chroot> \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -bs --noclean --target aarch64 --nodeps /builddir/build/SPECS/openbabel.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False
Building target platforms: aarch64
Building for target aarch64
sh: line 1: perl: command not found
setting SOURCE_DATE_EPOCH=1737417600
Wrote: /builddir/build/SRPMS/openbabel-3.1.1-32.fc42.src.rpm
Child return code was: 0
ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --noclean --target aarch64 --nodeps /builddir/build/SPECS/openbabel.spec'], chrootPath='/var/lib/mock/f42-build-58127741-6562580/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=<mockbuild.trace_decorator.getLog object at 0xffffab039590>timeout=201600uid=1000gid=425user='mockbuild'unshare_net=TrueprintOutput=Falsenspawn_args=['--capability=cap_ipc_lock', '--rlimit=RLIMIT_CORE=infinity', '--bind=/tmp/mock-resolv._jr7v_k9:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11'])
Using nspawn with args ['--capability=cap_ipc_lock', '--rlimit=RLIMIT_CORE=infinity', '--bind=/tmp/mock-resolv._jr7v_k9:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']
Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', '0a0e65bb10d745be8c34212df8d3260d', '-D', '/var/lib/mock/f42-build-58127741-6562580/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--rlimit=RLIMIT_CORE=infinity', '--bind=/tmp/mock-resolv._jr7v_k9:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;<mock-chroot>\\007"', '--setenv=PS1=<mock-chroot> \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -bb --noclean --target aarch64 --nodeps /builddir/build/SPECS/openbabel.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False
Building target platforms: aarch64
Building for target aarch64
setting SOURCE_DATE_EPOCH=1737417600
Executing(%mkbuilddir): /bin/sh -e /var/tmp/rpm-tmp.8oktYw
Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.3wQZCF
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ rm -rf openbabel-openbabel-3-1-1
+ /usr/lib/rpm/rpmuncompress -x /builddir/build/SOURCES/openbabel-openbabel-3-1-1.tar.gz
+ STATUS=0
+ '[' 0 -ne 0 ']'
+ cd openbabel-openbabel-3-1-1
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w .
Patch #0 (openbabel-perl.patch):
+ echo 'Patch #0 (openbabel-perl.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .perl_path --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 367 (offset 31 lines).
Patch #1 (openbabel-plugindir.patch):
+ echo 'Patch #1 (openbabel-plugindir.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .plugindir --fuzz=0
patching file CMakeLists.txt
patching file OpenBabel3Config.cmake.in
Patch #2 (openbabel-noswig-rubymethod.patch):
+ echo 'Patch #2 (openbabel-noswig-rubymethod.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .noswig_ruby --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 416 (offset 42 lines).
Patch #3 (openbabel-ruby19-vendorarch.patch):
+ echo 'Patch #3 (openbabel-ruby19-vendorarch.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .ruby_vendor --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 447 (offset 47 lines).
Patch #4 (openbabel-disable-tests.patch):
+ echo 'Patch #4 (openbabel-disable-tests.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .tests --fuzz=0
patching file test/CMakeLists.txt
Patch #5 (openbabel-fix-libdir-in-pkgconfig.patch):
+ echo 'Patch #5 (openbabel-fix-libdir-in-pkgconfig.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .s390x --fuzz=0
patching file openbabel-3.pc.cmake
Patch #7 (openbabel-3.1.1-fix_bug2223.patch):
+ echo 'Patch #7 (openbabel-3.1.1-fix_bug2223.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .backup --fuzz=0
patching file src/forcefields/forcefielduff.cpp
Patch #8 (openbabel-3.1.1-fix_bug2217.patch):
+ echo 'Patch #8 (openbabel-3.1.1-fix_bug2217.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .backup --fuzz=0
patching file test/testdistgeom.py
Patch #9 (openbabel-3.1.1-bug2378.patch):
+ echo 'Patch #9 (openbabel-3.1.1-bug2378.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .backup --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 102 (offset -4 lines).
Patch #10 (openbabel-3.1.1-bug2493.patch):
+ echo 'Patch #10 (openbabel-3.1.1-bug2493.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .backup --fuzz=0
patching file src/config.h.cmake
+ rm -rf src/formats/libinchi
+ dos2unix -k data/chemdrawcdx.h include/openbabel/tautomer.h include/openbabel/math/align.h src/math/align.cpp test/testsmartssym.py
dos2unix: converting file data/chemdrawcdx.h to Unix format...
dos2unix: converting file include/openbabel/tautomer.h to Unix format...
dos2unix: converting file include/openbabel/math/align.h to Unix format...
dos2unix: converting file src/math/align.cpp to Unix format...
dos2unix: converting file test/testsmartssym.py to Unix format...
+ convert src/GUI/babel.xpm -transparent white babel.png
WARNING: The convert command is deprecated in IMv7, use "magick" instead of "convert" or "magick convert"
+ pushd doc
~/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc ~/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1
+ for man in *.1
++ basename obabel.1 .1
+ html=obabel.html
+ '[' -f obabel.html ']'
+ rm obabel.html
+ for man in *.1
++ basename obchiral.1 .1
+ html=obchiral.html
+ '[' -f obchiral.html ']'
+ rm obchiral.html
+ for man in *.1
++ basename obconformer.1 .1
+ html=obconformer.html
+ '[' -f obconformer.html ']'
+ rm obconformer.html
+ for man in *.1
++ basename obdistgen.1 .1
+ html=obdistgen.html
+ '[' -f obdistgen.html ']'
+ for man in *.1
++ basename obenergy.1 .1
+ html=obenergy.html
+ '[' -f obenergy.html ']'
+ rm obenergy.html
+ for man in *.1
++ basename obfit.1 .1
+ html=obfit.html
+ '[' -f obfit.html ']'
+ rm obfit.html
+ for man in *.1
++ basename obgen.1 .1
+ html=obgen.html
+ '[' -f obgen.html ']'
+ rm obgen.html
+ for man in *.1
++ basename obgrep.1 .1
+ html=obgrep.html
+ '[' -f obgrep.html ']'
+ rm obgrep.html
+ for man in *.1
++ basename obgui.1 .1
+ html=obgui.html
+ '[' -f obgui.html ']'
+ rm obgui.html
+ for man in *.1
++ basename obminimize.1 .1
+ html=obminimize.html
+ '[' -f obminimize.html ']'
+ rm obminimize.html
+ for man in *.1
++ basename obprobe.1 .1
+ html=obprobe.html
+ '[' -f obprobe.html ']'
+ rm obprobe.html
+ for man in *.1
++ basename obprop.1 .1
+ html=obprop.html
+ '[' -f obprop.html ']'
+ rm obprop.html
+ for man in *.1
++ basename obrms.1 .1
+ html=obrms.html
+ '[' -f obrms.html ']'
+ for man in *.1
++ basename obrotamer.1 .1
+ html=obrotamer.html
+ '[' -f obrotamer.html ']'
+ rm obrotamer.html
+ for man in *.1
++ basename obrotate.1 .1
+ html=obrotate.html
+ '[' -f obrotate.html ']'
+ rm obrotate.html
+ for man in *.1
++ basename obspectrophore.1 .1
+ html=obspectrophore.html
+ '[' -f obspectrophore.html ']'
+ rm obspectrophore.html
+ for man in *.1
++ basename obsym.1 .1
+ html=obsym.html
+ '[' -f obsym.html ']'
+ for man in *.1
++ basename obtautomer.1 .1
+ html=obtautomer.html
+ '[' -f obtautomer.html ']'
+ for man in *.1
++ basename obthermo.1 .1
+ html=obthermo.html
+ '[' -f obthermo.html ']'
+ for man in *.1
++ basename roundtrip.1 .1
+ html=roundtrip.html
+ '[' -f roundtrip.html ']'
~/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1
+ popd
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.3GxCau
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd openbabel-openbabel-3-1-1
+ mkdir -p aarch64-redhat-linux-gnu
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ /usr/bin/cmake -S . -B redhat-linux-build -DCMAKE_C_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_CXX_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_Fortran_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_VERBOSE_MAKEFILE:BOOL=ON -DCMAKE_INSTALL_DO_STRIP:BOOL=OFF -DCMAKE_INSTALL_PREFIX:PATH=/usr -DCMAKE_INSTALL_FULL_SBINDIR:PATH=/usr/bin -DCMAKE_INSTALL_SBINDIR:PATH=bin -DINCLUDE_INSTALL_DIR:PATH=/usr/include -DLIB_INSTALL_DIR:PATH=/usr/lib64 -DSYSCONF_INSTALL_DIR:PATH=/etc -DSHARE_INSTALL_PREFIX:PATH=/usr/share -DLIB_SUFFIX=64 -DBUILD_SHARED_LIBS:BOOL=ON -B aarch64-redhat-linux-gnu -Wno-dev -DCMAKE_SKIP_RPATH:BOOL=ON -DBUILD_GUI:BOOL=ON -DPYTHON_BINDINGS:BOOL=ON -DPYTHON_EXECUTABLE=/usr/bin/python3 -DPERL_BINDINGS:BOOL=ON -DRUBY_BINDINGS:BOOL=ON -DWITH_MAEPARSER:BOOL=OFF -DWITH_COORDGEN:BOOL=OFF -DOB_PLUGIN_INSTALL_DIR:PATH=lib64/openbabel3 -DOPENBABEL_USE_SYSTEM_INCHI=true -DINCHI_INCLUDE_DIR:PATH=/usr/include/inchi -DINCHI_LIBRARY:FILEPATH=/usr/lib64/libinchi.so -DENABLE_VERSIONED_FORMATS=false -DRUN_SWIG=true -DENABLE_TESTS:BOOL=ON -DOPTIMIZE_NATIVE=OFF -DGLIBC_24_COMPATIBLE:BOOL=OFF
-- The C compiler identification is GNU 15.0.1
-- The CXX compiler identification is GNU 15.0.1
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Check for working C compiler: /usr/bin/gcc - skipped
-- Detecting C compile features
-- Detecting C compile features - done
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Check for working CXX compiler: /usr/bin/g++ - skipped
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Found LibXml2: /usr/lib64/libxml2.so (found version "2.12.10")
-- Found ZLIB: /usr/lib64/libz.so (found version "1.3.1")
-- Found wxWidgets: -pthread;;;-lwx_baseu-3.2;-lwx_gtk3u_core-3.2 (found version "3.2.6")
-- Looking for conio.h
-- Looking for conio.h - not found
-- Looking for sys/time.h
-- Looking for sys/time.h - found
-- Looking for time.h
-- Looking for time.h - found
-- Looking for strings.h
-- Looking for strings.h - found
-- Looking for rpc/xdr.h
-- Looking for rpc/xdr.h - not found
-- Looking for regex.h
-- Looking for regex.h - found
-- Looking for C++ include sstream
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-- Found Eigen3: /usr/include/eigen3 (Required is at least version "2.91.0")
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  428 |   static void GenerateSequence( unsigned int p, unsigned int m,
      |               ^~~~~~~~~~~~~~~~
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In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/op.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/math/transform3d.cpp.o -MF CMakeFiles/openbabel.dir/math/transform3d.cpp.o.d -o CMakeFiles/openbabel.dir/math/transform3d.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/math/transform3d.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/stereo.cpp.o -MF CMakeFiles/openbabel.dir/stereo/stereo.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/stereo.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/stereo.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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[  2%] Building CXX object src/CMakeFiles/openbabel.dir/chargemodel.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/chargemodel.cpp.o -MF CMakeFiles/openbabel.dir/chargemodel.cpp.o.d -o CMakeFiles/openbabel.dir/chargemodel.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/chargemodel.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/chargemodel.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  0%] Building CXX object src/CMakeFiles/openbabel.dir/base.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/base.cpp.o -MF CMakeFiles/openbabel.dir/base.cpp.o.d -o CMakeFiles/openbabel.dir/base.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/base.cpp
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[  3%] Building CXX object src/CMakeFiles/openbabel.dir/format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/format.cpp.o -MF CMakeFiles/openbabel.dir/format.cpp.o.d -o CMakeFiles/openbabel.dir/format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/format.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/obfunctions.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obfunctions.cpp.o -MF CMakeFiles/openbabel.dir/obfunctions.cpp.o.d -o CMakeFiles/openbabel.dir/obfunctions.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obfunctions.cpp
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[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o -MF CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o.d -o CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/dlhandler_unix.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/tokenst.cpp.o -MF CMakeFiles/openbabel.dir/tokenst.cpp.o.d -o CMakeFiles/openbabel.dir/tokenst.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/tokenst.cpp
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  8%] Building CXX object src/CMakeFiles/openbabel.dir/query.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/query.cpp.o -MF CMakeFiles/openbabel.dir/query.cpp.o.d -o CMakeFiles/openbabel.dir/query.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/query.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/query.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/bond.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/query.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/query.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  5%] Building CXX object src/CMakeFiles/openbabel.dir/molchrg.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/molchrg.cpp.o -MF CMakeFiles/openbabel.dir/molchrg.cpp.o.d -o CMakeFiles/openbabel.dir/molchrg.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/molchrg.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 13%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o -MF CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/gen3dstereohelper.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/gen3dstereohelper.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/gen3dstereohelper.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/gen3dstereohelper.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o -MF CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o.d -o CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/svgpainter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/svgpainter.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h: In constructor ‘OpenBabel::SVGPainter::SVGPainter(std::ostream&, std::set<std::pair<OpenBabel::OBColor, OpenBabel::OBColor> >*, bool, double, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h:77:11: warning: ‘OpenBabel::SVGPainter::m_fontPointSize’ will be initialized after [-Wreorder]
   77 |       int m_fontPointSize;
      |           ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h:75:12: warning:   ‘bool OpenBabel::SVGPainter::m_isFillcolor’ [-Wreorder]
   75 |       bool m_isFillcolor;
      |            ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/svgpainter.cpp:34:3: warning:   when initialized here [-Wreorder]
   34 |   SVGPainter::SVGPainter(ostream& ofs, std::set<ColorGradient>* gradients, bool withViewBox,
      |   ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h:75:12: warning: ‘OpenBabel::SVGPainter::m_isFillcolor’ will be initialized after [-Wreorder]
   75 |       bool m_isFillcolor;
      |            ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h:74:32: warning:   ‘std::set<std::pair<OpenBabel::OBColor, OpenBabel::OBColor> >* OpenBabel::SVGPainter::m_Gradients’ [-Wreorder]
   74 |       std::set<ColorGradient> *m_Gradients;
      |                                ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/svgpainter.cpp:34:3: warning:   when initialized here [-Wreorder]
   34 |   SVGPainter::SVGPainter(ostream& ofs, std::set<ColorGradient>* gradients, bool withViewBox,
      |   ^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  4%] Building CXX object src/CMakeFiles/openbabel.dir/kekulize.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/kekulize.cpp.o -MF CMakeFiles/openbabel.dir/kekulize.cpp.o.d -o CMakeFiles/openbabel.dir/kekulize.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/kekulize.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/kekulize.cpp: In function ‘bool OpenBabel::NeedsDoubleBond(OBAtom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/kekulize.cpp:94:15: warning: unused variable ‘nbr’ [-Wunused-variable]
   94 |       OBAtom *nbr = bond->GetNbrAtom(atom);
      |               ^~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 13%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o -MF CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/tetrahedral.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/plugin.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/plugin.cpp.o -MF CMakeFiles/openbabel.dir/plugin.cpp.o.d -o CMakeFiles/openbabel.dir/plugin.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/plugin.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/plugin.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  4%] Building CXX object src/CMakeFiles/openbabel.dir/grid.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/grid.cpp.o -MF CMakeFiles/openbabel.dir/grid.cpp.o.d -o CMakeFiles/openbabel.dir/grid.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/grid.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/grid.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:55:18: warning: ‘virtual void OpenBabel::OBGrid::Init(OpenBabel::OBMol&)’ was hidden [-Woverloaded-virtual=]
   55 |     virtual void Init(OBMol &box);
      |                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:123:10: note:   by ‘void OpenBabel::OBFloatGrid::Init(OpenBabel::OBMol&, double, double)’
  123 |     void Init(OBMol &box,double spacing, double pad=0.0);
      |          ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/generic.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/griddata.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:74:12: note:   by ‘double OpenBabel::OBGridData::GetValue(int, int, int) const’
   74 |     double GetValue(int i, int j, int k) const;
      |            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/griddata.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:55:18: warning: ‘virtual void OpenBabel::OBGrid::Init(OpenBabel::OBMol&)’ was hidden [-Woverloaded-virtual=]
   55 |     virtual void Init(OBMol &box);
      |                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:123:10: note:   by ‘void OpenBabel::OBFloatGrid::Init(OpenBabel::OBMol&, double, double)’
  123 |     void Init(OBMol &box,double spacing, double pad=0.0);
      |          ^~~~
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/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/reactionfacade.cpp: In member function ‘void OpenBabel::OBReactionFacadePrivate::FindComponents()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/reactionfacade.cpp:122:15: warning: unused variable ‘atm’ [-Wunused-variable]
  122 |       OBAtom* atm = &*atom;
      |               ^~~
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In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/fingerprint.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprint.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprint.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o -MF CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/squareplanar.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/patty.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/patty.cpp.o -MF CMakeFiles/openbabel.dir/patty.cpp.o.d -o CMakeFiles/openbabel.dir/patty.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/patty.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/descriptor.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/descriptor.cpp.o -MF CMakeFiles/openbabel.dir/descriptor.cpp.o.d -o CMakeFiles/openbabel.dir/descriptor.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptor.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptor.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptor.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/transform.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/transform.cpp.o -MF CMakeFiles/openbabel.dir/transform.cpp.o.d -o CMakeFiles/openbabel.dir/transform.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/transform.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/transform.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/transform.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  8%] Building CXX object src/CMakeFiles/openbabel.dir/residue.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/residue.cpp.o -MF CMakeFiles/openbabel.dir/residue.cpp.o.d -o CMakeFiles/openbabel.dir/residue.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/residue.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/phmodel.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/phmodel.cpp.o -MF CMakeFiles/openbabel.dir/phmodel.cpp.o.d -o CMakeFiles/openbabel.dir/phmodel.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/phmodel.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  9%] Building CXX object src/CMakeFiles/openbabel.dir/tautomer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/tautomer.cpp.o -MF CMakeFiles/openbabel.dir/tautomer.cpp.o.d -o CMakeFiles/openbabel.dir/tautomer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/tautomer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/tautomer.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/tautomer.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/tautomer.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 13%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o -MF CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/cistrans.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  9%] Building CXX object src/CMakeFiles/openbabel.dir/spectrophore.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/spectrophore.cpp.o -MF CMakeFiles/openbabel.dir/spectrophore.cpp.o.d -o CMakeFiles/openbabel.dir/spectrophore.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/spectrophore.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp: In member function ‘void OpenBabel::OBRotamerList::AddRotamer(std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp:410:11: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  410 |           while (angle < 0.0)
      |           ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp:412:17: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  412 |                 while (angle > 360.0)
      |                 ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp: In member function ‘bool OpenBabel::OBRotamerList::SetCurrentCoordinates(OpenBabel::OBMol&, std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp:543:11: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  543 |           while (angle < 0.0)
      |           ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp:545:17: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  545 |                 while (angle > 360.0)
      |                 ^~~~~
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/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘int OpenBabel::PointGroupPrivate::establish_pairs(SYMMETRY_ELEMENT*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:267:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  267 |         if( elem->transform[i] >= _mol->NumAtoms() ){ /* No symmetric atom yet          */
      |             ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘int OpenBabel::PointGroupPrivate::check_transform_order(SYMMETRY_ELEMENT*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:311:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  311 |         if( elem->transform[i] == i )   /* Identity transform is Ok for any order */
      |             ~~~~~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:315:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  315 |           if( elem->transform[j] == i )
      |               ~~~~~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘int OpenBabel::PointGroupPrivate::same_transform(SYMMETRY_ELEMENT*, SYMMETRY_ELEMENT*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:358:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  358 |           if( b->transform[j] != i )
      |               ~~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘OpenBabel::OBPointGroup::Symbol OpenBabel::OBPointGroup::IdentifyPointGroupSymbol(double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:1958:37: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1958 |           || d->NormalAxesCounts[2] >= maxAxis) { // Are there the perpendicular C2 axes?
      |              ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:1961:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1961 |         if (d->PlanesCount >= maxAxis + 1) { // Likely Dnh
      |             ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:1986:33: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1986 |         else if (d->PlanesCount == maxAxis) { // Likely Dnd
      |                  ~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:2088:29: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 2088 |     else if (d->PlanesCount >= maxAxis) { // Cnv
      |              ~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘void OpenBabel::OBPointGroup::Symmetrize(OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:2175:32: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 2175 |     for (unsigned int i = 0; i < d->PlanesCount; i++)
      |                              ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:2182:32: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 2182 |     for (unsigned int i = 0; i < d->NormalAxesCount; i++)
      |                              ~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:2189:32: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 2189 |     for (unsigned int i = 0; i < d->ImproperAxesCount; i++)
      |                              ~~^~~~~~~~~~~~~~~~~~~~~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obmolecformat.cpp.o -MF CMakeFiles/openbabel.dir/obmolecformat.cpp.o.d -o CMakeFiles/openbabel.dir/obmolecformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obmolecformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obmolecformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obmolecformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obmolecformat.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/data.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/data.cpp.o -MF CMakeFiles/openbabel.dir/data.cpp.o.d -o CMakeFiles/openbabel.dir/data.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/data.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 12%] Building CXX object src/CMakeFiles/openbabel.dir/math/spacegroup.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/math/spacegroup.cpp.o -MF CMakeFiles/openbabel.dir/math/spacegroup.cpp.o.d -o CMakeFiles/openbabel.dir/math/spacegroup.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/math/spacegroup.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  0%] Building CXX object src/CMakeFiles/openbabel.dir/alias.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/alias.cpp.o -MF CMakeFiles/openbabel.dir/alias.cpp.o.d -o CMakeFiles/openbabel.dir/alias.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/alias.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/alias.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/alias.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  9%] Building CXX object src/CMakeFiles/openbabel.dir/rotor.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/rotor.cpp.o -MF CMakeFiles/openbabel.dir/rotor.cpp.o.d -o CMakeFiles/openbabel.dir/rotor.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotor.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/chains.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/chains.cpp.o -MF CMakeFiles/openbabel.dir/chains.cpp.o.d -o CMakeFiles/openbabel.dir/chains.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/chains.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obiter.cpp.o -MF CMakeFiles/openbabel.dir/obiter.cpp.o.d -o CMakeFiles/openbabel.dir/obiter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obiter.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/parsmart.cpp.o -MF CMakeFiles/openbabel.dir/parsmart.cpp.o.d -o CMakeFiles/openbabel.dir/parsmart.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp: In function ‘int OpenBabel::CreateAtom(Pattern*, AtomExpr*, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp:446:15: warning: variable ‘size’ set but not used [-Wunused-but-set-variable]
  446 |     int index,size;
      |               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp: In function ‘int OpenBabel::CreateBond(Pattern*, BondExpr*, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp:478:15: warning: variable ‘size’ set but not used [-Wunused-but-set-variable]
  478 |     int index,size;
      |               ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/depict/depict.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/depict/depict.cpp.o -MF CMakeFiles/openbabel.dir/depict/depict.cpp.o.d -o CMakeFiles/openbabel.dir/depict/depict.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp: In function ‘unsigned int OpenBabel::GetAtomSymClass(OBAtom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:284:11: warning: unused variable ‘nclasses’ [-Wunused-variable]
  284 |       int nclasses = end_pos - copy_sym.begin();
      |           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp: In member function ‘virtual void OpenBabel::OBDepictPrivate::DrawAtomLabel(const std::string&, int, const OpenBabel::vector3&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1024:21: warning: variable ‘metrics’ set but not used [-Wunused-but-set-variable]
 1024 |       OBFontMetrics metrics = painter->GetFontMetrics(str);
      |                     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1029:21: warning: variable ‘metrics’ set but not used [-Wunused-but-set-variable]
 1029 |       OBFontMetrics metrics = painter->GetFontMetrics(subscript);
      |                     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp: In member function ‘void OpenBabel::OBDepictPrivateBallAndStick::DrawAromaticRingBond(OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, const OpenBabel::vector3&, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1238:99: warning: expression does not compute the number of elements in this array; element type is ‘const float’, not ‘double’ [-Wsizeof-array-div]
 1238 |     static const vector<double> pat = vector<double>(dashpattern,dashpattern + sizeof(dashpattern)/sizeof(double));
      |                                                                                ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1238:100: note: add parentheses around ‘sizeof (double)’ to silence this warning
 1238 |     static const vector<double> pat = vector<double>(dashpattern,dashpattern + sizeof(dashpattern)/sizeof(double));
      |                                                                                                    ^~~~~~~~~~~~~~
      |                                                                                                    (             )
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1237:24: note: array ‘dashpattern’ declared here
 1237 |     static const float dashpattern[] = {5., 5.};
      |                        ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp: In member function ‘OpenBabel::OBDepict::DrawMolecule(OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:462:22: warning: ‘min_x’ may be used uninitialized [-Wmaybe-uninitialized]
  462 |       width  = max_x - min_x + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:435:14: note: ‘min_x’ was declared here
  435 |       double min_x, max_x;
      |              ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:462:22: warning: ‘max_x’ may be used uninitialized [-Wmaybe-uninitialized]
  462 |       width  = max_x - min_x + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:435:21: note: ‘max_x’ was declared here
  435 |       double min_x, max_x;
      |                     ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:463:22: warning: ‘min_y’ may be used uninitialized [-Wmaybe-uninitialized]
  463 |       height = max_y - min_y + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:436:14: note: ‘min_y’ was declared here
  436 |       double min_y, max_y;
      |              ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:463:22: warning: ‘max_y’ may be used uninitialized [-Wmaybe-uninitialized]
  463 |       height = max_y - min_y + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:436:21: note: ‘max_y’ was declared here
  436 |       double min_y, max_y;
      |                     ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:465:25: warning: ‘min_z’ may be used uninitialized [-Wmaybe-uninitialized]
  465 |       d->zScale = max_z - min_z;
      |                   ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:437:14: note: ‘min_z’ was declared here
  437 |       double min_z, max_z;
      |              ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:465:25: warning: ‘max_z’ may be used uninitialized [-Wmaybe-uninitialized]
  465 |       d->zScale = max_z - min_z;
      |                   ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:437:21: note: ‘max_z’ was declared here
  437 |       double min_z, max_z;
      |                     ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/generic.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/generic.cpp.o -MF CMakeFiles/openbabel.dir/generic.cpp.o.d -o CMakeFiles/openbabel.dir/generic.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/generic.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/confsearch.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/confsearch.cpp.o -MF CMakeFiles/openbabel.dir/confsearch.cpp.o.d -o CMakeFiles/openbabel.dir/confsearch.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/atom.h:30,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:214,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/align.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:27:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::pload(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1671:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1671 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:172:
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::ploadu(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1716:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1716 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp: In constructor ‘OpenBabel::OBDiversePoses::OBDiversePoses(const OpenBabel::OBMol&, double, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:134:66: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = less<double>; _Tp = double]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  134 |     vec.erase(std::remove_if(vec.begin(), vec.end(), std::bind2nd(std::less<double>(), (cutoff + 0.1) )), vec.end());
      |                                                      ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441:
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp: In member function ‘bool OpenBabel::OBDiversePoses::AddPose(std::vector<OpenBabel::vector3>, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:189:14: warning: unused variable ‘min_rmsd’ [-Wunused-variable]
  189 |       double min_rmsd = DBL_MAX;
      |              ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp: In member function ‘int OpenBabel::OBForceField::DiverseConfGen(double, unsigned int, double, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:444:77: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = plus<double>; _Tp = double]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  444 |     transform(_energies.begin(), _energies.end(), _energies.begin(), bind2nd(std::plus<double>(), energy_offset));
      |                                                                      ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  5%] Building CXX object src/CMakeFiles/openbabel.dir/obconversion.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obconversion.cpp.o -MF CMakeFiles/openbabel.dir/obconversion.cpp.o.d -o CMakeFiles/openbabel.dir/obconversion.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obconversion.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obconversion.cpp:48:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obconversion.cpp:37:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/conformersearch.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/conformersearch.cpp.o -MF CMakeFiles/openbabel.dir/conformersearch.cpp.o.d -o CMakeFiles/openbabel.dir/conformersearch.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /usr/include/eigen3/Eigen/Core:214,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/align.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:21:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::pload(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1671:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1671 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:172:
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::ploadu(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1716:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1716 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/conformersearch.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘virtual double OpenBabel::OBMinimizingRMSDConformerScore::Score(OpenBabel::OBMol&, unsigned int, const OpenBabel::RotorKeys&, const std::vector<double*>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:250:12: warning: unused variable ‘score’ [-Wunused-variable]
  250 |     double score = ff->Energy(false); // no gradients
      |            ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘bool OpenBabel::OBConformerSearch::Setup(const OpenBabel::OBMol&, int, int, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:352:23: warning: variable ‘end_it’ set but not used [-Wunused-but-set-variable]
  352 |       OBRotorIterator end_it = m_rotorList.EndRotors();
      |                       ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘int OpenBabel::OBConformerSearch::local_opt()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:790:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘size_t’ {aka ‘long unsigned int’} [-Wsign-compare]
  790 |     for (i = 1; i <= m_rotorList.Size(); ++i, rotor = m_rotorList.NextRotor(ri))
      |                 ~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘int OpenBabel::OBConformerSearch::reproduce(OpenBabel::RotorKey&, OpenBabel::RotorKey&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:851:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  851 |     if (iniche > -1)
      |         ~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘int OpenBabel::OBConformerSearch::share_fitness()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1006:37: warning: comparison of integer expressions of different signedness: ‘std::vector<std::vector<int> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 1006 |         if ((dynamic_niches.size () < nb_niches) && (dynamic_niches.size () %2))
      |              ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1021:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1021 |                     if (dist < min_dist )
      |                         ~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1034:18: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 1034 |         if (imax == -1)
      |             ~~~~~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1051:40: warning: comparison of integer expressions of different signedness: ‘std::vector<std::vector<int> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 1051 |             if (dynamic_niches.size () < nb_niches)
      |                 ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:977:10: warning: unused variable ‘flag_niched’ [-Wunused-variable]
  977 |     bool flag_niched = false;
      |          ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘double OpenBabel::OBConformerSearch::sharing_generation()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1140:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1140 |     while (ninsert < ((half_pop * 2) / 3))
      |            ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1149:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1149 |             if (iround < imax)
      |                 ~~~~~~~^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1157:33: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1157 |                     if (ninsert >= half_pop)
      |                         ~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1182:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1182 |     while (ninsert < half_pop)
      |            ~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1106:23: warning: unused variable ‘lowest’ [-Wunused-variable]
 1106 |     double sum = 0.0, lowest = 0.0, highest = 0.0;
      |                       ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1106:37: warning: unused variable ‘highest’ [-Wunused-variable]
 1106 |     double sum = 0.0, lowest = 0.0, highest = 0.0;
      |                                     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘OpenBabel::OBConformerSearch::MakeSelection()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:550:31: warning: ‘highest’ may be used uninitialized [-Wmaybe-uninitialized]
  550 |     double sum = 0.0, lowest, highest;
      |                               ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  1%] Building CXX object src/CMakeFiles/openbabel.dir/canon.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/canon.cpp.o -MF CMakeFiles/openbabel.dir/canon.cpp.o.d -o CMakeFiles/openbabel.dir/canon.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/canon.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  1%] Building CXX object src/CMakeFiles/openbabel.dir/builder.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/builder.cpp.o -MF CMakeFiles/openbabel.dir/builder.cpp.o.d -o CMakeFiles/openbabel.dir/builder.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/builder.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/builder.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/builder.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/builder.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:214,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/distgeom.h:34,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/builder.cpp:33:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::pload(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1671:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1671 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:172:
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::ploadu(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1716:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1716 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/forcefield.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/forcefield.cpp.o -MF CMakeFiles/openbabel.dir/forcefield.cpp.o.d -o CMakeFiles/openbabel.dir/forcefield.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_tree.h:67,
                 from /usr/include/c++/15/set:64,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:55:18: warning: ‘virtual void OpenBabel::OBGrid::Init(OpenBabel::OBMol&)’ was hidden [-Woverloaded-virtual=]
   55 |     virtual void Init(OBMol &box);
      |                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:123:10: note:   by ‘void OpenBabel::OBFloatGrid::Init(OpenBabel::OBMol&, double, double)’
  123 |     void Init(OBMol &box,double spacing, double pad=0.0);
      |          ^~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:74:12: note:   by ‘double OpenBabel::OBGridData::GetValue(int, int, int) const’
   74 |     double GetValue(int i, int j, int k) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In static member function ‘static bool OpenBabel::OBForceField::IgnoreCalculation(int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:391:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  391 |     if (_ignoreAtom == a)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:393:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  393 |     if (_ignoreAtom == b)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In static member function ‘static bool OpenBabel::OBForceField::IgnoreCalculation(int, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:403:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  403 |     if (_ignoreAtom == b)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In static member function ‘static bool OpenBabel::OBForceField::IgnoreCalculation(int, int, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:413:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  413 |     if (_ignoreAtom == d)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintType(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:665:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  665 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘double OpenBabel::OBFFConstraints::GetConstraintValue(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:673:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  673 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintAtomA(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:681:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  681 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintAtomB(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:689:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  689 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintAtomC(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:697:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  697 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintAtomD(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:705:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  705 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBForceField::FastRotorSearch(bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1353:34: warning: array subscript has type ‘char’ [-Wchar-subscripts]
 1353 |     num_permutations = factorial[num_rotors_to_permute];
      |                                  ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1357:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBRotor*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1357 |     for (int i=0; i<vrotors.size(); ++i)
      |                   ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1370:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<unsigned int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1370 |       for (int i=0; i<reordered_rotors.size(); ++i) {
      |                     ~^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1291:9: warning: unused variable ‘origLogLevel’ [-Wunused-variable]
 1291 |     int origLogLevel = _loglvl;
      |         ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1327:12: warning: variable ‘energy_offset’ set but not used [-Wunused-but-set-variable]
 1327 |     double energy_offset;
      |            ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In function ‘void OpenBabel::Reweight(std::vector<std::vector<double> >&, std::vector<int>, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1571:15: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type’ {aka ‘int’} [-Wsign-compare]
 1571 |         if (j == rotorKey[i])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1590:15: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type’ {aka ‘int’} [-Wsign-compare]
 1590 |         if (j == rotorKey[i])
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:624:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:620:20: note: ‘constraint’ declared here
  620 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:624:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:620:20: note: ‘constraint’ declared here
  620 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:635:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:629:20: note: ‘constraint’ declared here
  629 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:635:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:629:20: note: ‘constraint’ declared here
  629 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:647:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:640:20: note: ‘constraint’ declared here
  640 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:647:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:640:20: note: ‘constraint’ declared here
  640 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:660:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:652:20: note: ‘constraint’ declared here
  652 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:660:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:652:20: note: ‘constraint’ declared here
  652 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddIgnore(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:580:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM <const vector(2) double> [(double *)&constraint + 16B]’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddIgnore(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:577:20: note: ‘constraint’ declared here
  577 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:591:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:587:20: note: ‘constraint’ declared here
  587 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:591:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:587:20: note: ‘constraint’ declared here
  587 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:602:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:598:20: note: ‘constraint’ declared here
  598 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:602:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:598:20: note: ‘constraint’ declared here
  598 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:613:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:609:20: note: ‘constraint’ declared here
  609 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:613:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:609:20: note: ‘constraint’ declared here
  609 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBForceField::FastRotorSearch(bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1393:29: warning: ‘minj’ may be used uninitialized [-Wmaybe-uninitialized]
 1393 |         rotorKey[idx + 1] = minj;
      |                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1319:21: note: ‘minj’ was declared here
 1319 |     unsigned int j, minj;
      |                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1410:11: warning: ‘minE’ may be used uninitialized [-Wmaybe-uninitialized]
 1410 |           if (minE < best_minE) {
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1320:22: note: ‘minE’ was declared here
 1320 |     double currentE, minE, best_minE;
      |                      ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  5%] Building CXX object src/CMakeFiles/openbabel.dir/mol.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/mol.cpp.o -MF CMakeFiles/openbabel.dir/mol.cpp.o.d -o CMakeFiles/openbabel.dir/mol.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp: In member function ‘unsigned int OpenBabel::OBMol::NumHvyAtoms()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:809:30: warning: unnecessary parentheses in declaration of ‘i’ [-Wparentheses]
  809 |     vector<OBAtom*>::iterator(i);
      |                              ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:809:30: note: remove parentheses
  809 |     vector<OBAtom*>::iterator(i);
      |                              ^~~
      |                              - -
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp: In member function ‘unsigned int OpenBabel::OBMol::GetTotalSpinMultiplicity()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:1221:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1221 |         if (chg % 2 != unpaired_electrons %2)
      |             ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/bond.h:32,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:23:
In member function ‘OpenBabel::OBAtom::GetIdx() const’,
    inlined from ‘OpenBabel::OBMol::CopySubstructure(OpenBabel::OBMol&, OpenBabel::OBBitVec*, OpenBabel::OBBitVec*, unsigned int, std::vector<unsigned int, std::allocator<unsigned int> >*, std::vector<unsigned int, std::allocator<unsigned int> >*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:4289:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/atom.h:189:63: warning: ‘atomB’ may be used uninitialized [-Wmaybe-uninitialized]
  189 |       unsigned int GetIdx()           const { return((int)_idx);  }
      |                                                               ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp: In member function ‘OpenBabel::OBMol::CopySubstructure(OpenBabel::OBMol&, OpenBabel::OBBitVec*, OpenBabel::OBBitVec*, unsigned int, std::vector<unsigned int, std::allocator<unsigned int> >*, std::vector<unsigned int, std::allocator<unsigned int> >*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:4273:21: note: ‘atomB’ was declared here
 4273 |             OBAtom *atomB, *atomE;
      |                     ^~~~~
In member function ‘OpenBabel::OBAtom::GetIdx() const’,
    inlined from ‘OpenBabel::OBMol::CopySubstructure(OpenBabel::OBMol&, OpenBabel::OBBitVec*, OpenBabel::OBBitVec*, unsigned int, std::vector<unsigned int, std::allocator<unsigned int> >*, std::vector<unsigned int, std::allocator<unsigned int> >*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:4289:62:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/atom.h:189:63: warning: ‘atomE’ may be used uninitialized [-Wmaybe-uninitialized]
  189 |       unsigned int GetIdx()           const { return((int)_idx);  }
      |                                                               ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp: In member function ‘OpenBabel::OBMol::CopySubstructure(OpenBabel::OBMol&, OpenBabel::OBBitVec*, OpenBabel::OBBitVec*, unsigned int, std::vector<unsigned int, std::allocator<unsigned int> >*, std::vector<unsigned int, std::allocator<unsigned int> >*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:4273:29: note: ‘atomE’ was declared here
 4273 |             OBAtom *atomB, *atomE;
      |                             ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 14%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/perception.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/perception.cpp.o -MF CMakeFiles/openbabel.dir/stereo/perception.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/perception.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp: In function ‘bool OpenBabel::TetStereoToWedgeHash(OBMol&, std::map<OBBond*, OBStereo::BondDirection>&, std::map<OBBond*, long unsigned int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:2795:5: warning: this ‘for’ clause does not guard... [-Wmisleading-indentation]
 2795 |     for (std::vector<OBGenericData*>::iterator data = vdata.begin(); data != vdata.end(); ++data)
      |     ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:2951:7: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘for’
 2951 |       return true;
      |       ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp: In function ‘void OpenBabel::StereoRefToImplicit(OBMol&, OBStereo::Ref)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:2973:16: warning: ‘template<class _Operation> class std::binder1st’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
 2973 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_atomId = std::bind1st (equal_to<OBStereo::Ref>(), atomId);
      |                ^~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441,
                 from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/stereo/stereo.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/stereo/tetranonplanar.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/stereo/tetrahedral.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:26:
/usr/include/c++/15/backward/binders.h:108:11: note: declared here
  108 |     class binder1st
      |           ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:2973:88: warning: ‘std::binder1st<_Operation> std::bind1st(const _Operation&, const _Tp&) [with _Operation = equal_to<long unsigned int>; _Tp = long unsigned int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
 2973 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_atomId = std::bind1st (equal_to<OBStereo::Ref>(), atomId);
      |                                                                           ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:136:5: note: declared here
  136 |     bind1st(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp: In function ‘void OpenBabel::ImplicitRefToStereo(OBMol&, OBStereo::Ref, OBStereo::Ref)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:3005:16: warning: ‘template<class _Operation> class std::binder1st’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
 3005 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_implicitRef = std::bind1st (equal_to<OBStereo::Ref>(), (OBStereo::Ref) OBStereo::ImplicitRef);
      |                ^~~~~~~~~
/usr/include/c++/15/backward/binders.h:108:11: note: declared here
  108 |     class binder1st
      |           ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:3005:93: warning: ‘std::binder1st<_Operation> std::bind1st(const _Operation&, const _Tp&) [with _Operation = equal_to<long unsigned int>; _Tp = long unsigned int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
 3005 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_implicitRef = std::bind1st (equal_to<OBStereo::Ref>(), (OBStereo::Ref) OBStereo::ImplicitRef);
      |                                                                                ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:136:5: note: declared here
  136 |     bind1st(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 12%] Building CXX object src/CMakeFiles/openbabel.dir/math/align.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/math/align.cpp.o -MF CMakeFiles/openbabel.dir/math/align.cpp.o.d -o CMakeFiles/openbabel.dir/math/align.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/math/align.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /usr/include/eigen3/Eigen/Core:214,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/align.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/math/align.cpp:24:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::pload(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1671:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1671 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:172:
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::ploadu(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1716:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1716 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[  5%] Building CXX object src/CMakeFiles/openbabel.dir/mcdlutil.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/mcdlutil.cpp.o -MF CMakeFiles/openbabel.dir/mcdlutil.cpp.o.d -o CMakeFiles/openbabel.dir/mcdlutil.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:423:5: warning: multi-line comment [-Wcomment]
  423 |     //                             /     \
      |     ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TSimpleMolecule::threeBondResolve(int, int, double&, double&, OpenBabel::neighbourlist*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:968:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  968 |     for (i=0; i<bk[an].nb; i++) {
      |               ~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:970:13: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  970 |       if (n != bondExcluded) {
      |           ~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:982:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  982 |               for (k=0; k<rs; k++) if (bondList[k] == (*blStore)[j]) {
      |                         ~^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:995:22: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  995 |           for (j=0; j<rs; j++) {
      |                     ~^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1017:20: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 1017 |         for (i=0; i<nAtoms(); i++) {
      |                   ~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::deleteAtom(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1396:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 1396 |     for (i=0; i<nAtoms(); i++) if (i != index) {
      |               ~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1396:38: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 1396 |     for (i=0; i<nAtoms(); i++) if (i != index) {
      |                                    ~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TSimpleMolecule::makeFragment(std::vector<int>&, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1471:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1471 |           for (j=0; j<list.size(); j++) if (list[j] == l) test1=true;
      |                     ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1478:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1478 |     } while (k<list.size());
      |              ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::defC(int&, int, int, std::vector<int>&, std::vector<int>&, std::vector<std::vector<int> >&, std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2009:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2009 |           for (j=0; j<atomCycle[i].size(); j++) if (atomDefine[atomCycle[i][j]]>0) atDef=atDef+1;
      |                     ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2019:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2019 |       if (cN>=0) if (maxAtDef==atomCycle[cN].size()) {
      |                      ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2034:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2034 |           for (j=1; j<atomCycle[cN].size(); j++) atomCycle[cN][j-1]=atomCycle[cN][j];
      |                     ~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2040:45: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2040 |         for (j=0;currNumDef < atomClean && j<atomCycle[cN].size()-maxAtDef; j++) {
      |                                            ~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::defA(int&, int, int, int, std::vector<int>&, std::vector<int>, std::vector<int>&, std::vector<std::vector<int> >&, std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2107:98: warning: comparison of integer expressions of different signedness: ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 2107 |       if (baseCycle>0) for (i=0; i<baseCycle; i++) if (cycleDefine[i]==0) if (atomCycle[i].size()<j) {
      |                                                                               ~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::redraw(std::vector<int>, std::vector<int>, int, int&, int, int, int, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2238:67: warning: comparison of integer expressions of different signedness: ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 2238 |         for (j=0; j<baseCycle; j++) if(cycleDescription[j].size() == cs) {
      |                                        ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2240:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2240 |             for (k=0; k<cycleDescription[j].size(); k++) if (bondList[k] != cycleDescription[j][k]) {
      |                       ~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2264:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2264 |       for (j=1; j<cycleDescription[i].size(); j++) {
      |                 ~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2575:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2575 |               if ((nb + i) > dsATN.size()) nb=dsATN.size()-i; // Check added to avoid segfault below, see issue #1851
      |                   ~~~~~~~~~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::flipSmall(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2985:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2985 |       for (i=0; i<list1.size(); i++) {
      |                 ~^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2965:10: warning: variable ‘test’ set but not used [-Wunused-but-set-variable]
 2965 |     bool test;
      |          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::bondEnlarge(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3024:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3024 |     for (i=0; i<list.size(); i++) { //coordinates change
      |               ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3002:10: warning: variable ‘test’ set but not used [-Wunused-but-set-variable]
 3002 |     bool test;
      |          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TSimpleMolecule::correctDblBondStereo()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3103:26: warning: comparison of integer expressions of different signedness: ‘short int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3103 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom1] || bond->at[1]==dblbond->bstereo_refs[ref_atom1])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3103:75: warning: comparison of integer expressions of different signedness: ‘short int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3103 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom1] || bond->at[1]==dblbond->bstereo_refs[ref_atom1])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3105:26: warning: comparison of integer expressions of different signedness: ‘short int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3105 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom2] || bond->at[1]==dblbond->bstereo_refs[ref_atom2])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3105:75: warning: comparison of integer expressions of different signedness: ‘short int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3105 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom2] || bond->at[1]==dblbond->bstereo_refs[ref_atom2])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘bool OpenBabel::compareAtoms(int, int, std::vector<std::vector<int>*>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3127:37: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::vector<int>*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3127 |     if ((a1 < 0) || (a2 < 0) || (a1 >= aeqList.size()) || (a2 >= aeqList.size())) return result;
      |                                  ~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3127:63: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::vector<int>*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3127 |     if ((a1 < 0) || (a2 < 0) || (a1 >= aeqList.size()) || (a2 >= aeqList.size())) return result;
      |                                                            ~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::makeEquivalentList(std::vector<int>&, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3291:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3291 |       for (j=0; j<lL->size(); j++) (*lL)[i]=0;
      |                 ~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3299:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3299 |     for (i=0; i<equivalenceList.size(); i++) equivalenceList[i]=0;
      |               ~^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3309:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::vector<int>*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3309 |     for (int i=0; i<aeqList.size(); i++) delete(aeqList.at(i));
      |                   ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘bool OpenBabel::incrementValues(std::vector<int>&, std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3325:13: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘const __gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type’ {aka ‘const int’} [-Wsign-compare]
 3325 |       if (l <= maxValues[i]) {
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘int OpenBabel::TSimpleMolecule::correctOverlapped()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3374:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3374 |       for (i=0; i<rotBondList.size(); i++)
      |                 ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3427:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3427 |           for (i=0; i<inner_bonds.size(); i++) if (inner_bonds[i] != 0) {
      |                     ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3437:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3437 |           for (i=0; i<remainder.size(); i++) {
      |                     ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘void OpenBabel::deleteIntElement(std::vector<int>*, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3540:44: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 3540 |     for (i=0; i<source->size(); i++) if (i != index) {
      |                                          ~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TEditedMolecule::addAsTemplate(OpenBabel::TEditedMolecule&, int, int, int, int, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4216:19: warning: variable ‘nBondsOld’ set but not used [-Wunused-but-set-variable]
 4216 |     int nAtomsOld,nBondsOld,naDef1,naDef,i;
      |                   ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4217:10: warning: variable ‘test’ set but not used [-Wunused-but-set-variable]
 4217 |     bool test,test1,test2;
      |          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4217:15: warning: variable ‘test1’ set but not used [-Wunused-but-set-variable]
 4217 |     bool test,test1,test2;
      |               ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4217:21: warning: variable ‘test2’ set but not used [-Wunused-but-set-variable]
 4217 |     bool test,test1,test2;
      |                     ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4219:40: warning: variable ‘xCenter’ set but not used [-Wunused-but-set-variable]
 4219 |     double r,scale,xOld,yOld,xNew,yNew,xCenter,yCenter;
      |                                        ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4219:48: warning: variable ‘yCenter’ set but not used [-Wunused-but-set-variable]
 4219 |     double r,scale,xOld,yOld,xNew,yNew,xCenter,yCenter;
      |                                                ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘OpenBabel::TEditedMolecule* OpenBabel::TEditedMolecule::extractFragment(int, std::vector<int>*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4410:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4410 |     if (list.size()>1) for (i=0; i<(list.size()-1); i++) for (j=i+1; j<list.size(); j++) if (list[i]>list[j]) {
      |                                  ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4410:71: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4410 |     if (list.size()>1) for (i=0; i<(list.size()-1); i++) for (j=i+1; j<list.size(); j++) if (list[i]>list[j]) {
      |                                                                      ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4415:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4415 |     for (i=0; i<list.size(); i++) inverseList[list[i]]=i;
      |               ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4418:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4418 |     for (i=0; i<list.size(); i++) {
      |               ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4399:10: warning: variable ‘test’ set but not used [-Wunused-but-set-variable]
 4399 |     bool test;
      |          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘int OpenBabel::TEditedMolecule::prepareQuery(OpenBabel::TSimpleMolecule&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4591:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4591 |       for (j=0; j<queryInverse.size(); j++) queryInverse[j]=queryAQTested[j];
      |                 ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4596:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4596 |       for (i=0; i<queryQHydr.size(); i++) queryQHydr[i]=queryBQTested[i];
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4601:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4601 |       for (i=0; i<bSTestedStore.size(); i++) bSTestedStore[i]=bSTested[i];
      |                 ~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TEditedMolecule::removeHydrogen(std::vector<int>*, std::vector<int>*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4636:31: warning: comparison of integer expressions of different signedness: ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 4636 |       if (qEnumerator->size() != nAtoms()) qEnumerator->resize(nAtoms());
      |           ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4637:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4637 |       for (i=0; i<qEnumerator->size(); i++) (*qEnumerator)[i]=i;
      |                 ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4666:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4666 |             for (j=0; j<qEnumerator->size(); j++) {
      |                       ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TEditedMolecule::fragmentSearch(OpenBabel::TEditedMolecule*, std::vector<int>*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4853:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4853 |     if (molecule1->listarSize()>aSTested.size()) aSTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4854:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4854 |     if (molecule1->listarSize()>bSTested.size()) bSTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4855:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4855 |     if (molecule1->listarSize()>queryQHydr.size()) queryQHydr.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4856:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4856 |     if (molecule1->listarSize()>queryAQTested.size()) queryAQTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4857:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4857 |     if (molecule1->listarSize()>queryBQTested.size()) queryBQTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4858:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4858 |     if (molecule1->listarSize()>queryCurrentAssignment.size()) queryCurrentAssignment.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4859:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4859 |     if (this->listarSize()>queryAQTested.size()) queryAQTested.resize(this->listarSize());
      |         ~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5036:10: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else]
 5036 |       if (test2) for (j=0; j<molecule1->nBonds(); j++) if (bSTested[j]>=0) (*bondLabel)[j]=1; else (*bondLabel)[j]=0;
      |          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4840:9: warning: variable ‘cycleNumber’ set but not used [-Wunused-but-set-variable]
 4840 |     int cycleNumber;
      |         ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TemplateRedraw::loadTemplates()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5115:24: warning: catching polymorphic type ‘class std::exception’ by value [-Wcatch-value=]
 5115 |     } catch (exception ex) {
      |                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TemplateRedraw::internalBondsPresent(OpenBabel::TEditedMolecule*, OpenBabel::TSimpleMolecule*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5205:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 5205 |     for (i=0; i<mQuery->nAtoms(); i++) aList[mQuery->queryAQTested[i]]=1;
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5206:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 5206 |     for (i=0; i<mQuery->nBonds(); i++) bList[mQuery->queryBQTested[i]]=1;
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TemplateRedraw::rotateBondVertically(OpenBabel::TSimpleMolecule*, std::vector<int>, int, double, double, double&, double&, double&, double&, double&, double&, int&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5236:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5236 |     for (i=0; i<bondList.size(); i++) {
      |               ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5281:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5281 |     for (i=0; i<bondList.size(); i++) {
      |               ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TemplateRedraw::selectFragmentConfiguration(OpenBabel::TSimpleMolecule*, std::vector<int>*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5315:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5315 |       for (i=0; i<atomList->size(); i++) {
      |                 ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5332:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5332 |       for (i=0; i<bondListAll.size(); i++) bondList[i]=bondListAll[i];
      |                 ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5362:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5362 |         for (i=0; i<bondList.size(); i++) {
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5372:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5372 |         for (i=0; i<bondList.size(); i++) {
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TemplateRedraw::rescaleSingleFragment(OpenBabel::TSimpleMolecule*, std::vector<int>*, OpenBabel::PartFragmentDefinition&, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5403:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5403 |     for (i=0; i<atomList->size(); i++) {
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5416:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5416 |       for (i=0; i<atomList->size(); i++) {
      |                 ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5432:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5432 |     for (i=0; i<atomList->size(); i++) {
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘int OpenBabel::TemplateRedraw::coordinatesPrepare(OpenBabel::TEditedMolecule&, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5671:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5671 |     for (i=kk; i<queryData.size(); i++) if ((TEditedMolecule *)queryData[i]->fragmentSearch(&sm,nullptr)) {
      |                ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5719:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5719 |       for (i=0; i<enumerator.size(); i++) enumerator[i]=-1;
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5722:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5722 |       for (i=0; i<enumerator.size(); i++) if (enumerator[i]==-1) {
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5730:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5730 |         for (j=0; j<enumerator.size(); j++)  if (enumerator[j]==i) {
      |                   ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5802:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5802 |       for (i=0; i<groupsFind.size(); i++) {
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5832:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5832 |     for (i=0; i<groupsFind.size(); i++) delete(groupsFind[i]);
      |               ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5660:9: warning: variable ‘naStore’ set but not used [-Wunused-but-set-variable]
 5660 |     int naStore;
      |         ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TemplateRedraw::redrawFine(OpenBabel::TSimpleMolecule&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5898:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5898 |         for (j=0; j<atomList.size(); j++) {
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5910:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5910 |       for (frCount=0; frCount<molList.size(); frCount++) {
      |                       ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5926:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5926 |     for (frCount=0; frCount<molList.size(); frCount++) {
      |                     ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5949:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5949 |       for (i=0; i<atomList.size(); i++) atomList[i]=i;
      |                 ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5964:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5964 |     for (frCount=0; frCount<molList.size(); frCount++) {
      |                     ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6004:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::PartFragmentDefinition*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6004 |       for (i=0;i<frList.size(); i++) {
      |                ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6011:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::PartFragmentDefinition*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6011 |       for (i=0; i<frList.size(); i++) {
      |                 ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6030:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::StereoBondStore*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6030 |     for (i=0; i<stereoBondList.size(); i++) {
      |               ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6038:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::StereoBondStore*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6038 |     for (i=0; i<stereoBondList.size(); i++) delete(stereoBondList[i]);
      |               ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6039:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::PartFragmentDefinition*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6039 |     for (i=0; i<frList.size(); i++) delete(frList[i]);
      |               ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6040:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6040 |     for (i=0; i<molList.size(); i++) delete(molList[i]);
      |               ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘int OpenBabel::indexOf(std::string, std::string, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6362:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘const std::__cxx11::basic_string<char>::size_type’ {aka ‘const long unsigned int’} [-Wsign-compare]
 6362 |     if (result == string::npos) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6363:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6363 |     if (result >= instring.length()) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘std::string OpenBabel::getAtomMCDL(OBMol*, int, std::vector<int>, std::vector<int>, std::vector<int>, std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6550:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6550 |         for (j=0; j<priority.size(); j++) priority[j]=0;
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6595:43: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6595 |     if (anumStereo.size() > 1) for (i=0; i<(anumStereo.size()-1); i++) if (anumStereo[i] >= 0) {
      |                                          ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6597:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6597 |           for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) n++;
      |                       ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6603:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6603 |             for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) {
      |                         ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6613:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6613 |               for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) anumStereo[j]=-1;
      |                           ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6616:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6616 |               for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) anumStereo[j]=-2;
      |                           ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6627:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6627 |       if (k == 1) for (i=0; i<anumStereo.size(); i++) if (anumStereo[i] == -1) {  //all parities should be changed to satisfy..
      |                             ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6636:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6636 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6636:69: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6636 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                                                    ~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6646:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6646 |       for (i=0; i < v.size(); i++) {
      |                 ~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘std::string OpenBabel::getBondMCDL(OBMol*, int, int, std::vector<int>, std::vector<int>, int (*)[4], std::vector<int>, std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6847:43: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6847 |     if (anumStereo.size() > 1) for (i=0; i<(anumStereo.size()-1); i++) if (anumStereo[i] >= 0) {
      |                                          ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6849:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6849 |           for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) n++;
      |                       ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6854:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6854 |             for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) {
      |                         ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6868:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6868 |                 for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) {
      |                             ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6876:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6876 |             for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) anumStereo[j]=-1;
      |                         ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6881:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6881 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6881:69: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6881 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                                                    ~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6891:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6891 |       for (i=0; i < v.size(); i++) {
      |                 ~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6684:26: warning: variable ‘n4’ set but not used [-Wunused-but-set-variable]
 6684 |     int i,j,n,m,n1,n2,n3,n4,an1,an2,an3,an4,k;
      |                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘void OpenBabel::implementAtomStereo(std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<double>, std::vector<double>, int, int, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6964:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6964 |         if (n1 < (astereo.length()-1)) astereo=astereo.substr(n1+1); else astereo="";
      |             ~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘void OpenBabel::implementBondStereo(std::vector<int>, std::vector<int>, std::vector<double>&, std::vector<double>&, int, int, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7028:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7028 |         if (n1 < (bstereo.length()-1)) bstereo=bstereo.substr(n1+1); else bstereo="";
      |             ~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7071:34: warning: catching polymorphic type ‘class std::exception’ by value [-Wcatch-value=]
 7071 |               } catch (exception ex) {
      |                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7085:34: warning: catching polymorphic type ‘class std::exception’ by value [-Wcatch-value=]
 7085 |               } catch (exception ex) {
      |                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘int OpenBabel::groupRedraw(OBMol*, int, int, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7163:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7163 |       for (i=0; i<atomList.size(); i++) allAtomList[atomList[i]]=1;
      |                 ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7171:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7171 |       for (int i=0; i<atomList.size(); i++) {
      |                     ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘bool OpenBabel::parseFormula(std::string, std::vector<int>&, int&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7213:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7213 |             if (n<value.length()) if ((value.at(n)>='0') && (value.at(n)<='9')) {
      |                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7216:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7216 |                 while ((n2<(value.length()-1)) && (value.at(n2)>='0') && (value.at(n2)<='9')) n2++;
      |                         ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7237:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7237 |             if (n<value.length()) if ((value.at(n)>='0') && (value.at(n)<='9')) {
      |                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7240:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7240 |                 while ((n2<(value.length()-1)) && (value.at(n2)>='0') && (value.at(n2)<='9')) n2++;
      |                         ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘OpenBabel::TEditedMolecule::addAsTemplate(OpenBabel::TEditedMolecule&, int, int, int, int, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4333:16: warning: ‘r1’ may be used uninitialized [-Wmaybe-uninitialized]
 4333 |         xNew=r1*scale*xu1+this->getAtom(thisAN)->rx;
      |              ~~^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4220:12: note: ‘r1’ was declared here
 4220 |     double r1;
      |            ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/distgeom.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/distgeom.cpp.o -MF CMakeFiles/openbabel.dir/distgeom.cpp.o.d -o CMakeFiles/openbabel.dir/distgeom.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:54: warning: ignoring ‘#pragma warning ’ [-Wunknown-pragmas]
   54 | #pragma warning(disable : 4244) // warning C4244: '=' : conversion from 'double' to 'float', possible loss of data
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:55: warning: ignoring ‘#pragma warning ’ [-Wunknown-pragmas]
   55 | #pragma warning(disable : 4305) // warning C4305: '*=' : truncation from 'double' to 'float'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:619:3: warning: multi-line comment [-Wcomment]
  619 |   //              \
      |   ^
In file included from /usr/include/eigen3/Eigen/Core:214,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/distgeom.h:34,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:22:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::pload(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1671:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1671 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:172:
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::ploadu(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1716:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1716 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:38:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/distgeom.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘bool OpenBabel::OBDistanceGeometry::generateInitialCoords()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1089:16: warning: unused variable ‘lb’ [-Wunused-variable]
 1089 |         double lb = _d->GetLowerBounds(i, j);
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1090:16: warning: unused variable ‘ub’ [-Wunused-variable]
 1090 |         double ub = _d->GetUpperBounds(i, j);
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘bool OpenBabel::OBDistanceGeometry::firstMinimization()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1136:16: warning: unused variable ‘lb’ [-Wunused-variable]
 1136 |         double lb = _d->GetLowerBounds(i, j);
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1137:16: warning: unused variable ‘ub’ [-Wunused-variable]
 1137 |         double ub = _d->GetUpperBounds(i, j);
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1115:9: warning: unused variable ‘niter’ [-Wunused-variable]
 1115 |     int niter = solver.minimize(fun, _coord, fx);
      |         ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘bool OpenBabel::OBDistanceGeometry::minimizeFourthDimension()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1160:9: warning: unused variable ‘niter’ [-Wunused-variable]
 1160 |     int niter = solver.minimize(fun, _coord, fx);
      |         ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘double OpenBabel::DistGeomFunc::operator()(const Eigen::VectorXd&, Eigen::VectorXd&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1325:23: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘Eigen::Index’ {aka ‘long int’} [-Wsign-compare]
 1325 |     for (size_t i=0; i<grad.rows(); i++) {
      |                      ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘double OpenBabel::DistGeomFunc4D::operator()(const Eigen::VectorXd&, Eigen::VectorXd&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1452:23: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘Eigen::Index’ {aka ‘long int’} [-Wsign-compare]
 1452 |     for (size_t i=0; i<grad.rows(); i++) {
      |                      ~^~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:341:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h: In function ‘Eigen::internal::trmv_selector<6, 1>::run<Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const>, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const>, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> > >(Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const> const&, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const> const&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >::Scalar const&)void [clone .isra.0]’:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:332:12: warning: ‘result_47’ may be used uninitialized [-Wmaybe-uninitialized]
  327 |     internal::triangular_matrix_vector_product
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  328 |       <Index,Mode,
      |       ~~~~~~~~~~~~
  329 |        LhsScalar, LhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  330 |        RhsScalar, RhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  331 |        RowMajor>
      |        ~~~~~~~~~
  332 |       ::run(actualLhs.rows(),actualLhs.cols(),
      |       ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  333 |             actualLhs.data(),actualLhs.outerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  334 |             actualRhsPtr,1,
      |             ~~~~~~~~~~~~~~~
  335 |             dest.data(),dest.innerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  336 |             actualAlpha);
      |             ~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:105:24: note: by argument 5 of type ‘const double *’ to ‘Eigen::internal::triangular_matrix_vector_product<long, 6, double, false, double, false, 1, 0>::run(long, long, double const*, long, double const*, long, double*, long, double const&) [clone .constprop.0]’ declared here
  105 | EIGEN_DONT_INLINE void triangular_matrix_vector_product<Index,Mode,LhsScalar,ConjLhs,RhsScalar,ConjRhs,RowMajor,Version>
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:337:
/usr/include/eigen3/Eigen/src/Core/products/SelfadjointMatrixVector.h: In function ‘Eigen::internal::selfadjoint_product_impl<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false>, 17, false, Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, -1, 1, 0, -1, 1> const> const, Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, 1, true>, -1, 1, false> const>, 0, true>::run<Eigen::Block<Eigen::Matrix<double, -1, 1, 0, -1, 1>, -1, 1, false> >(Eigen::Block<Eigen::Matrix<double, -1, 1, 0, -1, 1>, -1, 1, false>&, Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const&, Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, -1, 1, 0, -1, 1> const> const, Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, 1, true>, -1, 1, false> const> const&, double const&)void [clone .isra.0]’:
/usr/include/eigen3/Eigen/src/Core/products/SelfadjointMatrixVector.h:229:7: warning: ‘result_66’ may be used uninitialized [-Wmaybe-uninitialized]
  227 |     internal::selfadjoint_matrix_vector_product<Scalar, Index, (internal::traits<ActualLhsTypeCleaned>::Flags&RowMajorBit) ? RowMajor : ColMajor,
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  228 |                                                 int(LhsUpLo), bool(LhsBlasTraits::NeedToConjugate), bool(RhsBlasTraits::NeedToConjugate)>::run
      |                                                 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  229 |       (
      |       ^
  230 |         lhs.rows(),                             // size
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  231 |         &lhs.coeffRef(0,0),  lhs.outerStride(), // lhs info
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  232 |         actualRhsPtr,                           // rhs info
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  233 |         actualDestPtr,                          // result info
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  234 |         actualAlpha                             // scale factor
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  235 |       );
      |       ~
/usr/include/eigen3/Eigen/src/Core/products/SelfadjointMatrixVector.h:41:6: note: by argument 4 of type ‘const double *’ to ‘Eigen::internal::selfadjoint_matrix_vector_product<double, long, 0, 1, false, false, 0>::run(long, double const*, long, double const*, double*, double)’ declared here
   41 | void selfadjoint_matrix_vector_product<Scalar,Index,StorageOrder,UpLo,ConjugateLhs,ConjugateRhs,Version>::run(
      |      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 14%] Linking CXX shared library ../lib64/libopenbabel.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/openbabel.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/openbabel.dir/link.d -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared -Wl,-soname,libopenbabel.so.7 -o ../lib64/libopenbabel.so.7.0.0 CMakeFiles/openbabel.dir/alias.cpp.o CMakeFiles/openbabel.dir/atom.cpp.o CMakeFiles/openbabel.dir/base.cpp.o CMakeFiles/openbabel.dir/bitvec.cpp.o CMakeFiles/openbabel.dir/bond.cpp.o CMakeFiles/openbabel.dir/bondtyper.cpp.o CMakeFiles/openbabel.dir/builder.cpp.o CMakeFiles/openbabel.dir/canon.cpp.o CMakeFiles/openbabel.dir/chains.cpp.o CMakeFiles/openbabel.dir/chargemodel.cpp.o CMakeFiles/openbabel.dir/data.cpp.o CMakeFiles/openbabel.dir/data_utilities.cpp.o CMakeFiles/openbabel.dir/descriptor.cpp.o CMakeFiles/openbabel.dir/elements.cpp.o CMakeFiles/openbabel.dir/fingerprint.cpp.o CMakeFiles/openbabel.dir/forcefield.cpp.o CMakeFiles/openbabel.dir/format.cpp.o CMakeFiles/openbabel.dir/generic.cpp.o CMakeFiles/openbabel.dir/graphsym.cpp.o CMakeFiles/openbabel.dir/grid.cpp.o CMakeFiles/openbabel.dir/griddata.cpp.o CMakeFiles/openbabel.dir/isomorphism.cpp.o CMakeFiles/openbabel.dir/kekulize.cpp.o CMakeFiles/openbabel.dir/locale.cpp.o CMakeFiles/openbabel.dir/matrix.cpp.o CMakeFiles/openbabel.dir/mcdlutil.cpp.o CMakeFiles/openbabel.dir/molchrg.cpp.o CMakeFiles/openbabel.dir/mol.cpp.o CMakeFiles/openbabel.dir/obconversion.cpp.o CMakeFiles/openbabel.dir/oberror.cpp.o CMakeFiles/openbabel.dir/obfunctions.cpp.o CMakeFiles/openbabel.dir/obiter.cpp.o CMakeFiles/openbabel.dir/obutil.cpp.o CMakeFiles/openbabel.dir/op.cpp.o CMakeFiles/openbabel.dir/parsmart.cpp.o CMakeFiles/openbabel.dir/patty.cpp.o CMakeFiles/openbabel.dir/phmodel.cpp.o CMakeFiles/openbabel.dir/plugin.cpp.o CMakeFiles/openbabel.dir/pointgroup.cpp.o CMakeFiles/openbabel.dir/query.cpp.o CMakeFiles/openbabel.dir/rand.cpp.o CMakeFiles/openbabel.dir/reactionfacade.cpp.o CMakeFiles/openbabel.dir/residue.cpp.o CMakeFiles/openbabel.dir/ring.cpp.o CMakeFiles/openbabel.dir/rotamer.cpp.o CMakeFiles/openbabel.dir/rotor.cpp.o CMakeFiles/openbabel.dir/spectrophore.cpp.o CMakeFiles/openbabel.dir/tautomer.cpp.o CMakeFiles/openbabel.dir/tokenst.cpp.o CMakeFiles/openbabel.dir/transform.cpp.o CMakeFiles/openbabel.dir/typer.cpp.o CMakeFiles/openbabel.dir/obmolecformat.cpp.o CMakeFiles/openbabel.dir/conformersearch.cpp.o CMakeFiles/openbabel.dir/confsearch.cpp.o CMakeFiles/openbabel.dir/distgeom.cpp.o CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o CMakeFiles/openbabel.dir/depict/depict.cpp.o CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o CMakeFiles/openbabel.dir/math/spacegroup.cpp.o CMakeFiles/openbabel.dir/math/transform3d.cpp.o CMakeFiles/openbabel.dir/math/vector3.cpp.o CMakeFiles/openbabel.dir/math/align.cpp.o CMakeFiles/openbabel.dir/stereo/stereo.cpp.o CMakeFiles/openbabel.dir/stereo/tetranonplanar.cpp.o CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o CMakeFiles/openbabel.dir/stereo/perception.cpp.o CMakeFiles/openbabel.dir/stereo/facade.cpp.o CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o  -lm -ldl -lz
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_symlink_library ../lib64/libopenbabel.so.7.0.0 ../lib64/libopenbabel.so.7 ../lib64/libopenbabel.so
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp: In function ‘CreateAtom’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp:457:53: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=]
  457 |             AtomSpec *tmp = new AtomSpec[pat->aalloc];
      |                                                     ^
/usr/include/c++/15/new:140:26: note: in a call to allocation function ‘operator new []’ declared here
  140 | _GLIBCXX_NODISCARD void* operator new[](std::size_t)
      |                          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp:463:47: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=]
  463 |           pat->atom = new AtomSpec[pat->aalloc];
      |                                               ^
/usr/include/c++/15/new:140:26: note: in a call to allocation function ‘operator new []’ declared here
  140 | _GLIBCXX_NODISCARD void* operator new[](std::size_t)
      |                          ^
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/smilesformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mol2format.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/asciiformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/copyformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/inchiformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/molreport.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/MNAformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/painterformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/povrayformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/reportformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/svgformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/textformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/confabreport.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/dmolformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fchkformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/inchiformat.dir/getinchi.cpp.o -MF CMakeFiles/inchiformat.dir/getinchi.cpp.o.d -o CMakeFiles/inchiformat.dir/getinchi.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/getinchi.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gaussformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpainterformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o -MF CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o.d -o CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/commandpainter.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gausscubeformat.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 28%] Building CXX object src/formats/CMakeFiles/nulformat.dir/nulformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dnulformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/nulformat.dir/nulformat.cpp.o -MF CMakeFiles/nulformat.dir/nulformat.cpp.o.d -o CMakeFiles/nulformat.dir/nulformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nulformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nulformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 24%] Building CXX object src/formats/CMakeFiles/copyformat.dir/copyformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcopyformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/copyformat.dir/copyformat.cpp.o -MF CMakeFiles/copyformat.dir/copyformat.cpp.o.d -o CMakeFiles/copyformat.dir/copyformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/copyformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/copyformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addpolarh.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addpolarh.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addpolarh.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addnonpolarh.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addnonpolarh.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addnonpolarh.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gausszmatformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gulpformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 18%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delnonpolarh.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delnonpolarh.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delnonpolarh.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 16%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delpolarh.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delpolarh.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delpolarh.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/jaguarformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/hinformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 26%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/gasteiger.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/gasteiger.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 14%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cansmidescriptor.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cansmidescriptor.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cansmidescriptor.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/molproformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mopacformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 18%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen2D.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen2D.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen2D.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 14%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cmpdfilter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cmpdfilter.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cmpdfilter.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 30%] Building CXX object src/formats/CMakeFiles/textformat.dir/textformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dtextformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/textformat.dir/textformat.cpp.o -MF CMakeFiles/textformat.dir/textformat.cpp.o.d -o CMakeFiles/textformat.dir/textformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/textformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/textformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/nwchemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 15%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addinindex.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addinindex.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addinindex.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pwscfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/qchemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 18%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addfilename.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addfilename.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addfilename.cpp:18:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/neutralize.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/neutralize.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/siestaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/turbomoleformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 30%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/none.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/none.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/none.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/none.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/none.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/none.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 32%] Building CXX object src/formats/CMakeFiles/titleformat.dir/titleformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dtitleformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/titleformat.dir/titleformat.cpp.o -MF CMakeFiles/titleformat.dir/titleformat.cpp.o.d -o CMakeFiles/titleformat.dir/titleformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/titleformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/titleformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/vaspformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/smartsdescriptors.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/smartsdescriptors.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/smartsdescriptors.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xsfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 27%] Building CXX object src/formats/CMakeFiles/molreport.dir/molreport.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmolreport_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/molreport.dir/molreport.cpp.o -MF CMakeFiles/molreport.dir/molreport.cpp.o.d -o CMakeFiles/molreport.dir/molreport.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/molreport.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/molreport.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 24%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/xout.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/xout.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/xout.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/xout.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/xout.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/xout.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 27%] Building CXX object src/formats/CMakeFiles/painterformat.dir/painterformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpainterformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/painterformat.dir/painterformat.cpp.o -MF CMakeFiles/painterformat.dir/painterformat.cpp.o.d -o CMakeFiles/painterformat.dir/painterformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/painterformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/painterformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/painterformat.cpp: In member function ‘virtual bool OpenBabel::PainterFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/painterformat.cpp:114:12: warning: unused variable ‘ofs’ [-Wunused-variable]
  114 |   ostream& ofs = *pConv->GetOutStream();
      |            ^~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/zindoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 19%] Building CXX object src/formats/CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dasciiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o -MF CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o.d -o CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/asciipainter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/depend
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/asciipainter.cpp: In member function ‘virtual void OpenBabel::ASCIIPainter::DrawText(double, double, const std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/asciipainter.cpp:118:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  118 |     for (int i=0; i<text.size(); ++i) {
      |                   ~^~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 16%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/canonical.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/canonical.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 34%] Linking CXX shared module ../../lib64/nulformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/nulformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/nulformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/nulformat.so CMakeFiles/nulformat.dir/nulformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gamessukformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/orcaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/build
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 38%] Built target nulformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 23%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/partialcharges.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/partialcharges.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/APIInterface.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CSRformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 18%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/inchidescriptor.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/inchidescriptor.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/inchidescriptor.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/inchidescriptor.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:134:19: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
  134 |     : public std::binary_function<const std::string&, const std::string&, bool>
      |                   ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h: In member function ‘bool OpenBabel::InChIFormat::InchiLess::operator()(const std::string&, const std::string&) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |                                                    ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/PQSformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 34%] Linking CXX shared module ../../lib64/copyformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/copyformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/copyformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/copyformat.so CMakeFiles/copyformat.dir/copyformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 38%] Built target copyformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/filters.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/filters.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/alchemyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 19%] Building CXX object src/formats/CMakeFiles/asciiformat.dir/asciiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dasciiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/asciiformat.dir/asciiformat.cpp.o -MF CMakeFiles/asciiformat.dir/asciiformat.cpp.o.d -o CMakeFiles/asciiformat.dir/asciiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/asciiformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/asciiformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/readconformers.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/readconformers.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/acrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 25%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o -MF CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o.d -o CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/unique.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/unique.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/unique.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:134:19: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
  134 |     : public std::binary_function<const std::string&, const std::string&, bool>
      |                   ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h: In member function ‘bool OpenBabel::InChIFormat::InchiLess::operator()(const std::string&, const std::string&) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |                                                    ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/amberformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 38%] Linking CXX shared module ../../lib64/titleformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/titleformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/titleformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/titleformat.so CMakeFiles/titleformat.dir/titleformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 40%] Built target titleformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 31%] Building CXX object src/formats/CMakeFiles/reportformat.dir/reportformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dreportformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/reportformat.dir/reportformat.cpp.o -MF CMakeFiles/reportformat.dir/reportformat.cpp.o.d -o CMakeFiles/reportformat.dir/reportformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/reportformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/reportformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 28%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/mmff94.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/mmff94.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 26%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp: In member function ‘void OpenBabel::OpConfab::Run(OpenBabel::OBConversion*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp:167:14: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  167 |     for (; c < mol.NumConformers(); ++c) {
      |            ~~^~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 37%] Linking CXX shared module ../../lib64/textformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/textformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/textformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/textformat.so CMakeFiles/textformat.dir/textformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/bgfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/boxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/build
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 40%] Built target textformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cacaoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 32%] Building CXX object src/formats/CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfhiaimsformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o -MF CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o.d -o CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fhiaimsformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fhiaimsformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 30%] Building CXX object src/formats/CMakeFiles/pngformat.dir/pngformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpngformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pngformat.dir/pngformat.cpp.o -MF CMakeFiles/pngformat.dir/pngformat.cpp.o.d -o CMakeFiles/pngformat.dir/pngformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pngformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pngformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pngformat.cpp:13:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 24%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/ophighlight.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/ophighlight.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/parsmart.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/ophighlight.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 15%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o -MF CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o.d -o CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/fingerecfp.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/fingerprint.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/fingerecfp.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/fingerecfp.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp: In member function ‘virtual bool OpenBabel::OpSplit::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp:92:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   92 |   if(!pConv)
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp:95:5: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   95 |     if(pConv->IsFirstInput())
      |     ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/carformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cacheformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/build
/usr/bin/make  -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cccformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 33%] Building CXX object src/formats/CMakeFiles/dmolformat.dir/dmolformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Ddmolformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/dmolformat.dir/dmolformat.cpp.o -MF CMakeFiles/dmolformat.dir/dmolformat.cpp.o.d -o CMakeFiles/dmolformat.dir/dmolformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dmolformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dmolformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/loader.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/loader.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/loader.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/loader.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/loader.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/loader.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/loader.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 38%] Linking CXX shared module ../../lib64/molreport.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/molreport.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/molreport.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/molreport.so CMakeFiles/molreport.dir/molreport.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 43%] Built target molreport
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp:29:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp: In member function ‘virtual bool OpenBabel::OpMinimize::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp:265:10: warning: unused variable ‘done’ [-Wunused-variable]
  265 |     bool done = true;
      |          ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chem3dformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawct.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemtoolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 33%] Building CXX object src/formats/CMakeFiles/daltonformat.dir/daltonformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Ddaltonformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/daltonformat.dir/daltonformat.cpp.o -MF CMakeFiles/daltonformat.dir/daltonformat.cpp.o.d -o CMakeFiles/daltonformat.dir/daltonformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp: In member function ‘virtual bool OpenBabel::DALTONInputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp:148:9: warning: variable ‘atomcount’ set but not used [-Wunused-but-set-variable]
  148 |     int atomcount = 0; // for each atom type
      |         ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp: In member function ‘virtual bool OpenBabel::DALTONInputFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp:312:31: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  312 |       if(atom->GetAtomicNum() != atomtype)
      |          ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp:332:31: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  332 |       if(atom->GetAtomicNum() != atomtype)
      |          ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 24%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp: In member function ‘virtual bool OpenBabel::OpChangeCell::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp:88:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OpChangeCell::vc_val>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
   88 |   for(int i = 0; i < vcvs.size(); i++)
      |                  ~~^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp:119:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OpChangeCell::vc_val>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  119 |     for(int i = 0; i < vcvs.size(); i++)
      |                    ~~^~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cifformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 38%] Linking CXX shared module ../../lib64/painterformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/painterformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/painterformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/painterformat.so CMakeFiles/painterformat.dir/painterformat.cpp.o CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 24%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/optransform.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/optransform.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/optransform.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/parsmart.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/phmodel.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/optransform.h:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 23%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eem.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/eem.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/eem.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/eem.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eem.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eem.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eem.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/depend
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 43%] Built target painterformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/crkformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cofformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cssrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 32%] Building CXX object src/formats/CMakeFiles/abinitformat.dir/abinitformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dabinitformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/abinitformat.dir/abinitformat.cpp.o -MF CMakeFiles/abinitformat.dir/abinitformat.cpp.o.d -o CMakeFiles/abinitformat.dir/abinitformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp: In member function ‘virtual bool OpenBabel::ABINITFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp:99:12: warning: variable ‘acell’ set but not used [-Wunused-but-set-variable]
   99 |     double acell[3]; // scale of lattice vectors
      |            ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp:212:23: warning: ‘natom’ may be used uninitialized [-Wmaybe-uninitialized]
  212 |     for (int i = 0; i < natom; ++i) {
      |                     ~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp:90:9: note: ‘natom’ was declared here
   90 |     int natom;
      |         ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 25%] Building CXX object src/formats/CMakeFiles/MNAformat.dir/MNAformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMNAformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/MNAformat.dir/MNAformat.cpp.o -MF CMakeFiles/MNAformat.dir/MNAformat.cpp.o.d -o CMakeFiles/MNAformat.dir/MNAformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MNAformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MNAformat.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/APIInterface.dir/APIInterface.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DAPIInterface_EXPORTS -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/APIInterface.dir/APIInterface.cpp.o -MF CMakeFiles/APIInterface.dir/APIInterface.cpp.o.d -o CMakeFiles/APIInterface.dir/APIInterface.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/APIInterface.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/APIInterface.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/largest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/largest.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/largest.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/largest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/largest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/largest.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o -MF CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o.d -o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger2.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/fingerprint.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger2.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger2.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/dlpolyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 18%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/groupcontrib.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/groupcontrib.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/groupcontrib.cpp:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/groupcontrib.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 32%] Building CXX object src/formats/CMakeFiles/castepformat.dir/castepformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcastepformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/castepformat.dir/castepformat.cpp.o -MF CMakeFiles/castepformat.dir/castepformat.cpp.o.d -o CMakeFiles/castepformat.dir/castepformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp: In member function ‘OpenBabel::CASTEPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:195:21: warning: ‘pressure’ may be used uninitialized [-Wmaybe-uninitialized]
  195 |         pv = volume * pressure * GPA_A3_TO_KCAL_PER_MOL;
      |              ~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:94:12: note: ‘pressure’ was declared here
   94 |     double pressure, volume, enthalpy;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:195:21: warning: ‘volume’ may be used uninitialized [-Wmaybe-uninitialized]
  195 |         pv = volume * pressure * GPA_A3_TO_KCAL_PER_MOL;
      |              ~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:94:22: note: ‘volume’ was declared here
   94 |     double pressure, volume, enthalpy;
      |                      ^~~~~~
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::CASTEPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:211:17:
/usr/include/bits/stdio2.h:68:35: warning: ‘enthalpy’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp: In member function ‘OpenBabel::CASTEPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:94:30: note: ‘enthalpy’ was declared here
   94 |     double pressure, volume, enthalpy;
      |                              ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/exyzformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/fillUC.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/fillUC.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fastsearchformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 35%] Building CXX object src/formats/CMakeFiles/hinformat.dir/hinformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dhinformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/hinformat.dir/hinformat.cpp.o -MF CMakeFiles/hinformat.dir/hinformat.cpp.o.d -o CMakeFiles/hinformat.dir/hinformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/hinformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/hinformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 25%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp:29:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp: In member function ‘virtual bool OpenBabel::OpConformer::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp:287:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  287 |             if (p1>pmol->NumAtoms() || p2>pmol->NumAtoms()){
      |                 ~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp:287:42: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  287 |             if (p1>pmol->NumAtoms() || p2>pmol->NumAtoms()){
      |                                        ~~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 32%] Building CXX object src/formats/CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Daoforceformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o -MF CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o.d -o CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/aoforceformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/aoforceformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dturbomoleformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o -MF CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o.d -o CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/turbomoleformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/turbomoleformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 40%] Linking CXX shared module ../../lib64/reportformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/reportformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/reportformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/reportformat.so CMakeFiles/reportformat.dir/reportformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fastaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/CSRformat.dir/CSRformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DCSRformat_EXPORTS -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/CSRformat.dir/CSRformat.cpp.o -MF CMakeFiles/CSRformat.dir/CSRformat.cpp.o.d -o CMakeFiles/CSRformat.dir/CSRformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp: In member function ‘OpenBabel::CSRFormat::PadString(char*, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp:192:12: warning: ‘__strncpy_chk’ output truncated before terminating nul copying as many bytes from a string as its length [-Wstringop-truncation]
  192 |     strncpy(output, input, strlen(input));
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp:192:12: note: length computed here
  192 |     strncpy(output, input, strlen(input));
      |     ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 45%] Built target reportformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/featformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen3d.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen3d.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:214,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/distgeom.h:34,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen3d.cpp:23:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::pload(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1671:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1671 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:172:
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::ploadu(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1716:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1716 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 41%] Linking CXX shared module ../../lib64/fhiaimsformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fhiaimsformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fhiaimsformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fhiaimsformat.so CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fhformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/build
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 45%] Built target fhiaimsformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fingerprintformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 31%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/fromfile.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/fromfile.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/fromfile.cpp: In member function ‘virtual bool OpenBabel::FromFileCharges::ComputeCharges(OpenBabel::OBMol&, const char*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/fromfile.cpp:102:36: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  102 |                 for ( int i = 1; i <= mol.NumAtoms(); i++)
      |                                  ~~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/zindoformat.dir/zindoformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dzindoformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/zindoformat.dir/zindoformat.cpp.o -MF CMakeFiles/zindoformat.dir/zindoformat.cpp.o.d -o CMakeFiles/zindoformat.dir/zindoformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/zindoformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/zindoformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fpsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 43%] Linking CXX shared module ../../lib64/dmolformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/dmolformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/dmolformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/dmolformat.so CMakeFiles/dmolformat.dir/dmolformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 47%] Built target dmolformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/freefracformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 32%] Building CXX object src/formats/CMakeFiles/acesformat.dir/acesformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dacesformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/acesformat.dir/acesformat.cpp.o -MF CMakeFiles/acesformat.dir/acesformat.cpp.o.d -o CMakeFiles/acesformat.dir/acesformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acesformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acesformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 39%] Linking CXX shared module ../../lib64/asciiformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/asciiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/asciiformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/asciiformat.so CMakeFiles/asciiformat.dir/asciiformat.cpp.o CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 47%] Built target asciiformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 16%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o -MF CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o.d -o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/fingerprint.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp: In member function ‘virtual bool OpenBabel::PatternFP::GetFingerprint(OpenBabel::OBBase*, std::vector<unsigned int>&, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:109:13: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  109 |     while(n < _bitcount)
      |           ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp: In member function ‘virtual std::string OpenBabel::PatternFP::DescribeBits(std::vector<unsigned int>, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:258:34: warning: operation on ‘div’ may be undefined [-Wsequence-point]
  258 |         ngrp = (num + div -1)/div--; //rounds up
      |                               ~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:258:34: warning: operation on ‘div’ may be undefined [-Wsequence-point]
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/ghemicalformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 43%] Linking CXX shared module ../../lib64/APIInterface.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/APIInterface.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/APIInterface.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/APIInterface.so CMakeFiles/APIInterface.dir/APIInterface.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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[ 47%] Built target APIInterface
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gromos96format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 35%] Building CXX object src/formats/CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Djaguarformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o -MF CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o.d -o CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/jaguarformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/jaguarformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 42%] Linking CXX shared module ../../lib64/pngformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pngformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pngformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pngformat.so CMakeFiles/pngformat.dir/pngformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 47%] Built target pngformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 40%] Building CXX object src/formats/CMakeFiles/amberformat.dir/amberformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Damberformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/amberformat.dir/amberformat.cpp.o -MF CMakeFiles/amberformat.dir/amberformat.cpp.o.d -o CMakeFiles/amberformat.dir/amberformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/amberformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/groformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/amberformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 39%] Building CXX object src/formats/CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dalchemyformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o -MF CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o.d -o CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/alchemyformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/alchemyformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 31%] Building CXX object src/formats/CMakeFiles/svgformat.dir/svgformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dsvgformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/svgformat.dir/svgformat.cpp.o -MF CMakeFiles/svgformat.dir/svgformat.cpp.o.d -o CMakeFiles/svgformat.dir/svgformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp: In member function ‘virtual bool OpenBabel::SVGFormat::WriteChemObject(OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp:226:42: warning: comparison of integer expressions of different signedness: ‘std::vector<OpenBabel::OBBase*>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  226 |   bool nomore = _nmax && (_objects.size()==_nmax);
      |                           ~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp:248:18: warning: unused variable ‘n’ [-Wunused-variable]
  248 |     unsigned int n=0;
      |                  ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp: In member function ‘virtual bool OpenBabel::SVGFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp:273:8: warning: unused variable ‘ret’ [-Wunused-variable]
  273 |   bool ret = WriteSVG(pConv,_objects);
      |        ^~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 30%] Building CXX object src/formats/CMakeFiles/povrayformat.dir/povrayformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpovrayformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/povrayformat.dir/povrayformat.cpp.o -MF CMakeFiles/povrayformat.dir/povrayformat.cpp.o.d -o CMakeFiles/povrayformat.dir/povrayformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp: In member function ‘void OpenBabel::PovrayFormat::OutputHeader(std::ostream&, OpenBabel::OBMol&, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:173:12: warning: variable ‘time_res’ set but not used [-Wunused-but-set-variable]
  173 |     size_t time_res;                             /* Result of strftime                */
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp: In function ‘void OpenBabel::OutputCSTBonds(std::ostream&, OBMol&, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:526:78: warning: ‘std::binder1st<_Operation> std::bind1st(const _Operation&, const _Tp&) [with _Operation = equal_to<char>; _Tp = char]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  526 |         bond_type.erase(remove_if(bond_type.begin(), bond_type.end(), bind1st(equal_to<char>(), '.')), bond_type.end());
      |                                                                       ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441:
/usr/include/c++/15/backward/binders.h:136:5: note: declared here
  136 |     bind1st(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:587:78: warning: ‘std::binder1st<_Operation> std::bind1st(const _Operation&, const _Tp&) [with _Operation = equal_to<char>; _Tp = char]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  587 |         bond_type.erase(remove_if(bond_type.begin(), bond_type.end(), bind1st(equal_to<char>(), '.')), bond_type.end());
      |                                                                       ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:136:5: note: declared here
  136 |     bind1st(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp: In member function ‘virtual bool OpenBabel::PovrayFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:807:17: warning: unused variable ‘title’ [-Wunused-variable]
  807 |     const char* title = pmol->GetTitle();
      |                 ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 45%] Linking CXX shared module ../../lib64/hinformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/hinformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/hinformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/hinformat.so CMakeFiles/hinformat.dir/hinformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 40%] Building CXX object src/formats/CMakeFiles/acrformat.dir/acrformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dacrformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/acrformat.dir/acrformat.cpp.o -MF CMakeFiles/acrformat.dir/acrformat.cpp.o.d -o CMakeFiles/acrformat.dir/acrformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp: In member function ‘OpenBabel::ACRFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:166:12: warning: ‘atoms’ may be used uninitialized [-Wmaybe-uninitialized]
  166 |     } else if ( pmol->NumAtoms() != atoms ) {
      |            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:95:18: note: ‘atoms’ was declared here
   95 |     unsigned int atoms, bonds, tmp;
      |                  ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:162:5: warning: ‘bonds’ may be used uninitialized [-Wmaybe-uninitialized]
  162 |     if ( pmol->NumBonds() != bonds ) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:95:25: note: ‘bonds’ was declared here
   95 |     unsigned int atoms, bonds, tmp;
      |                         ^~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 48%] Built target hinformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 40%] Building CXX object src/formats/CMakeFiles/balstformat.dir/balstformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbalstformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/balstformat.dir/balstformat.cpp.o -MF CMakeFiles/balstformat.dir/balstformat.cpp.o.d -o CMakeFiles/balstformat.dir/balstformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/balstformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/balstformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/lmpdatformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 30%] Building CXX object src/formats/CMakeFiles/confabreport.dir/confabreport.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dconfabreport_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/confabreport.dir/confabreport.cpp.o -MF CMakeFiles/confabreport.dir/confabreport.cpp.o.d -o CMakeFiles/confabreport.dir/confabreport.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:214,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/align.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp:35:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::pload(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1671:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1671 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:172:
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::ploadu(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1716:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1716 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp: In member function ‘void OpenBabel::ConfabReport::WriteOutput(std::ostream&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp:129:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  129 |     for (int i=1; i < binvals.size(); i++)
      |                   ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp:134:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  134 |     for (int i=1; i < cumbins.size(); i++)
      |                   ~~^~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 43%] Linking CXX shared module ../../lib64/daltonformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/daltonformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/daltonformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/daltonformat.so CMakeFiles/daltonformat.dir/daltonformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/PQSformat.dir/PQSformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DPQSformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/PQSformat.dir/PQSformat.cpp.o -MF CMakeFiles/PQSformat.dir/PQSformat.cpp.o.d -o CMakeFiles/PQSformat.dir/PQSformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 43%] Building CXX object src/formats/CMakeFiles/cacheformat.dir/cacheformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcacheformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cacheformat.dir/cacheformat.cpp.o -MF CMakeFiles/cacheformat.dir/cacheformat.cpp.o.d -o CMakeFiles/cacheformat.dir/cacheformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cacheformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp: In member function ‘OpenBabel::PQSFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp:263:49: warning: ‘pFormat’ may be used uninitialized [-Wmaybe-uninitialized]
  263 |                     return pFormat->ReadMolecule(&mol,&coordconv);
      |                            ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp:254:31: note: ‘pFormat’ was declared here
  254 |                     OBFormat* pFormat;
      |                               ^~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cacheformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 49%] Built target daltonformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 45%] Linking CXX shared module ../../lib64/CSRformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/CSRformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/CSRformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/CSRformat.so CMakeFiles/CSRformat.dir/CSRformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/lpmdformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/build
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 50%] Built target CSRformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mdffformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 43%] Building CXX object src/formats/CMakeFiles/cccformat.dir/cccformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcccformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cccformat.dir/cccformat.cpp.o -MF CMakeFiles/cccformat.dir/cccformat.cpp.o.d -o CMakeFiles/cccformat.dir/cccformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cccformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cccformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 43%] Building CXX object src/formats/CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemtoolformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o -MF CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o.d -o CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemtoolformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemtoolformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 43%] Linking CXX shared module ../../lib64/abinitformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/abinitformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/abinitformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/abinitformat.so CMakeFiles/abinitformat.dir/abinitformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 50%] Built target abinitformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 41%] Building CXX object src/formats/CMakeFiles/boxformat.dir/boxformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dboxformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/boxformat.dir/boxformat.cpp.o -MF CMakeFiles/boxformat.dir/boxformat.cpp.o.d -o CMakeFiles/boxformat.dir/boxformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/boxformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/boxformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mmcifformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 43%] Building CXX object src/formats/CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemdrawct_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o -MF CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o.d -o CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawct.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawct.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/xsfformat.dir/xsfformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxsfformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xsfformat.dir/xsfformat.cpp.o -MF CMakeFiles/xsfformat.dir/xsfformat.cpp.o.d -o CMakeFiles/xsfformat.dir/xsfformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xsfformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xsfformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 45%] Linking CXX shared module ../../lib64/turbomoleformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/turbomoleformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/turbomoleformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/turbomoleformat.so CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 50%] Built target turbomoleformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mmodformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 45%] Linking CXX shared module ../../lib64/castepformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/castepformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/castepformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/castepformat.so CMakeFiles/castepformat.dir/castepformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 51%] Built target castepformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/moldenformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 46%] Linking CXX shared module ../../lib64/zindoformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/zindoformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/zindoformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/zindoformat.so CMakeFiles/zindoformat.dir/zindoformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 51%] Built target zindoformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mpdformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 43%] Building CXX object src/formats/CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchem3dformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o -MF CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o.d -o CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chem3dformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chem3dformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/matrix3x3.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chem3dformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 37%] Building CXX object src/formats/CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpwscfformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o -MF CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o.d -o CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::PWscfFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:282:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘enthalpy’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp: In member function ‘OpenBabel::PWscfFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:98:12: note: ‘enthalpy’ was declared here
   98 |     double enthalpy, pv;
      |            ^~~~~~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::PWscfFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:284:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘pv’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp: In member function ‘OpenBabel::PWscfFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:98:22: note: ‘pv’ was declared here
   98 |     double enthalpy, pv;
      |                      ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 27%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opalign.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opalign.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opalign.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:214,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/align.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opalign.cpp:22:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::pload(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1671:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1671 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:172:
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::ploadu(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1716:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1716 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mpqcformat.dir/DependInfo.cmake "--color="
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/usr/bin/make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/build
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[ 43%] Linking CXX shared module ../../lib64/MNAformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/MNAformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/MNAformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/MNAformat.so CMakeFiles/MNAformat.dir/MNAformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 52%] Built target MNAformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/msiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 47%] Linking CXX shared module ../../lib64/amberformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/amberformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/amberformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/amberformat.so CMakeFiles/amberformat.dir/amberformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 52%] Built target amberformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 27%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.h:15,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/parsmart.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp: In member function ‘virtual bool OpenBabel::OpNewS::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp:303:28: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  303 |     if(pmol->NumHvyAtoms() != nPatternAtoms)
      |        ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 42%] Building CXX object src/formats/CMakeFiles/carformat.dir/carformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcarformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/carformat.dir/carformat.cpp.o -MF CMakeFiles/carformat.dir/carformat.cpp.o.d -o CMakeFiles/carformat.dir/carformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/carformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/carformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/msmsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/opendxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 35%] Building CXX object src/formats/CMakeFiles/gulpformat.dir/gulpformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgulpformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gulpformat.dir/gulpformat.cpp.o -MF CMakeFiles/gulpformat.dir/gulpformat.cpp.o.d -o CMakeFiles/gulpformat.dir/gulpformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp: In member function ‘OpenBabel::GULPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:359:14: warning: ‘enthalpy_eV’ may be used uninitialized [-Wmaybe-uninitialized]
  359 |       double en_kcal_per_mole = enthalpy_eV * EV_TO_KCAL_PER_MOL;
      |              ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:96:12: note: ‘enthalpy_eV’ was declared here
   96 |     double enthalpy_eV, pv_eV;
      |            ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:360:14: warning: ‘pv_eV’ may be used uninitialized [-Wmaybe-uninitialized]
  360 |       double pv_kcal_per_mole = pv_eV * EV_TO_KCAL_PER_MOL;
      |              ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:96:25: note: ‘pv_eV’ was declared here
   96 |     double enthalpy_eV, pv_eV;
      |                         ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 33%] Building CXX object src/formats/CMakeFiles/crystal09format.dir/crystal09format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcrystal09format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/crystal09format.dir/crystal09format.cpp.o -MF CMakeFiles/crystal09format.dir/crystal09format.cpp.o.d -o CMakeFiles/crystal09format.dir/crystal09format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crystal09format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crystal09format.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crystal09format.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 50%] Linking CXX shared module ../../lib64/cacheformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cacheformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cacheformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cacheformat.so CMakeFiles/cacheformat.dir/cacheformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 41%] Building CXX object src/formats/CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcacaoformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o -MF CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o.d -o CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cacaoformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cacaoformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 53%] Built target cacheformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 48%] Linking CXX shared module ../../lib64/alchemyformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/alchemyformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/alchemyformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/alchemyformat.so CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/outformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/build
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 53%] Built target alchemyformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pcmodelformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 43%] Building CXX object src/formats/CMakeFiles/cssrformat.dir/cssrformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcssrformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cssrformat.dir/cssrformat.cpp.o -MF CMakeFiles/cssrformat.dir/cssrformat.cpp.o.d -o CMakeFiles/cssrformat.dir/cssrformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cssrformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cssrformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 50%] Linking CXX shared module ../../lib64/cccformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cccformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cccformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cccformat.so CMakeFiles/cccformat.dir/cccformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 41%] Building CXX object src/formats/CMakeFiles/bgfformat.dir/bgfformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbgfformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/bgfformat.dir/bgfformat.cpp.o -MF CMakeFiles/bgfformat.dir/bgfformat.cpp.o.d -o CMakeFiles/bgfformat.dir/bgfformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/bgfformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/bgfformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 53%] Built target cccformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 50%] Linking CXX shared module ../../lib64/chemtoolformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemtoolformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chemtoolformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemtoolformat.so CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 53%] Built target chemtoolformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pdbqtformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 45%] Building CXX object src/formats/CMakeFiles/featformat.dir/featformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfeatformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/featformat.dir/featformat.cpp.o -MF CMakeFiles/featformat.dir/featformat.cpp.o.d -o CMakeFiles/featformat.dir/featformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/featformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/featformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pointcloudformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 48%] Linking CXX shared module ../../lib64/balstformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/balstformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/balstformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/balstformat.so CMakeFiles/balstformat.dir/balstformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/acrformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/acrformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/acrformat.so CMakeFiles/acrformat.dir/acrformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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[ 24%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/sort.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/sort.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/sort.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/sort.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/sort.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/sort.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/sort.cpp:32:28: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   32 | struct Order : public std::binary_function<std::pair<OBBase*,T>, std::pair<OBBase*,T>, bool>
      |                            ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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/usr/bin/make  -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/depend
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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/usr/bin/make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/depend
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chemdrawct.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemdrawct.so CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfhformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fhformat.dir/fhformat.cpp.o -MF CMakeFiles/fhformat.dir/fhformat.cpp.o.d -o CMakeFiles/fhformat.dir/fhformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fhformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fhformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 54%] Built target chemdrawct
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pqrformat.dir/DependInfo.cmake "--color="
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/aoforceformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/aoforceformat.so CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/jaguarformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/jaguarformat.so CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/shelxformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/smileyformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/boxformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/boxformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/boxformat.so CMakeFiles/boxformat.dir/boxformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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[ 55%] Built target boxformat
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/usr/bin/make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/build
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/PQSformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/PQSformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/PQSformat.so CMakeFiles/PQSformat.dir/PQSformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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[ 43%] Building CXX object src/formats/CMakeFiles/crkformat.dir/crkformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcrkformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/crkformat.dir/crkformat.cpp.o -MF CMakeFiles/crkformat.dir/crkformat.cpp.o.d -o CMakeFiles/crkformat.dir/crkformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crkformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crkformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 34%] Building CXX object src/formats/CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgausszmatformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o -MF CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o.d -o CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausszmatformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausszmatformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 55%] Built target PQSformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/tinkerformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 47%] Building CXX object src/formats/CMakeFiles/gromos96format.dir/gromos96format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgromos96format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gromos96format.dir/gromos96format.cpp.o -MF CMakeFiles/gromos96format.dir/gromos96format.cpp.o.d -o CMakeFiles/gromos96format.dir/gromos96format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gromos96format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gromos96format.cpp:54:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gromos96format.cpp: In member function ‘OpenBabel::GROMOS96Format::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gromos96format.cpp:144:20: warning: ‘strncpy’ specified bound 16 equals destination size [-Wstringop-truncation]
  144 |             strncpy(type_name,OBElements::GetSymbol(atom->GetAtomicNum()), 16);
      |                    ^
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 50%] Linking CXX shared module ../../lib64/xsfformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xsfformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/xsfformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/xsfformat.so CMakeFiles/xsfformat.dir/xsfformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 55%] Built target xsfformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 49%] Linking CXX shared module ../../lib64/confabreport.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/confabreport.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/confabreport.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/confabreport.so CMakeFiles/confabreport.dir/confabreport.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 19%] Building CXX object src/formats/CMakeFiles/mol2format.dir/mol2format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmol2format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mol2format.dir/mol2format.cpp.o -MF CMakeFiles/mol2format.dir/mol2format.cpp.o.d -o CMakeFiles/mol2format.dir/mol2format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp: In member function ‘virtual bool OpenBabel::MOL2Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp:422:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  422 |               if(aid <= mol.NumAtoms())
      |                  ~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp: In member function ‘virtual int OpenBabel::MOL2Format::SkipObjects(int, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp:785:10: warning: unused variable ‘ch’ [-Wunused-variable]
  785 |     char ch = ifs.peek();
      |          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp:86:15: warning: ‘bool OpenBabel::IsThiocarboxylSulfur(OBAtom*)’ defined but not used [-Wunused-function]
   86 |   static bool IsThiocarboxylSulfur(OBAtom* queryatom)
      |               ^~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 43%] Linking CXX shared module ../lib64/plugin_descriptors.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_descriptors.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/plugin_descriptors.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_descriptors.so CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/acesformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/acesformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/acesformat.so CMakeFiles/acesformat.dir/acesformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/unichemformat.dir/DependInfo.cmake "--color="
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/usr/bin/make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmolproformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/molproformat.dir/molproformat.cpp.o -MF CMakeFiles/molproformat.dir/molproformat.cpp.o.d -o CMakeFiles/molproformat.dir/molproformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/molproformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/molproformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 55%] Built target plugin_descriptors
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/viewmolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/build
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 55%] Built target acesformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/wlnformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xedformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/chem3dformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chem3dformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chem3dformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chem3dformat.so CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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[ 37%] Building CXX object src/formats/CMakeFiles/qchemformat.dir/qchemformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dqchemformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/qchemformat.dir/qchemformat.cpp.o -MF CMakeFiles/qchemformat.dir/qchemformat.cpp.o.d -o CMakeFiles/qchemformat.dir/qchemformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp: In member function ‘virtual bool OpenBabel::QChemOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp:194:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  194 |             if (nbAtomRead != mol.NumAtoms())
      |                 ~~~~~~~~~~~^~~~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 56%] Built target chem3dformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 52%] Linking CXX shared module ../../lib64/carformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/carformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/carformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/carformat.so CMakeFiles/carformat.dir/carformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cssrformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cssrformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cssrformat.so CMakeFiles/cssrformat.dir/cssrformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fhformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fhformat.so CMakeFiles/fhformat.dir/fhformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/featformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/featformat.so CMakeFiles/featformat.dir/featformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/yasaraformat.dir/DependInfo.cmake "--color="
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cacaoformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cacaoformat.so CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawcdx.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/svgformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/svgformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/svgformat.so CMakeFiles/svgformat.dir/svgformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 47%] Building CXX object src/formats/CMakeFiles/freefracformat.dir/freefracformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfreefracformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/freefracformat.dir/freefracformat.cpp.o -MF CMakeFiles/freefracformat.dir/freefracformat.cpp.o.d -o CMakeFiles/freefracformat.dir/freefracformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/freefracformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/freefracformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 58%] Built target svgformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemkinformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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[ 52%] Linking CXX shared module ../../lib64/pwscfformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pwscfformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pwscfformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pwscfformat.so CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 45%] Building CXX object src/formats/CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfingerprintformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o -MF CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o.d -o CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fingerprintformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fingerprintformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fingerprintformat.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 58%] Built target pwscfformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 53%] Linking CXX shared module ../../lib64/bgfformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/bgfformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/bgfformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/bgfformat.so CMakeFiles/bgfformat.dir/bgfformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/rinchiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/build
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 58%] Built target bgfformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 45%] Building CXX object src/formats/CMakeFiles/fastaformat.dir/fastaformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfastaformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fastaformat.dir/fastaformat.cpp.o -MF CMakeFiles/fastaformat.dir/fastaformat.cpp.o.d -o CMakeFiles/fastaformat.dir/fastaformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastaformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastaformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastaformat.cpp: In function ‘void OpenBabel::add_residue(OBMol*, OBResidue*, double, double, long unsigned int&, ResidueRecord*, int, OBAtom*&, bool, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastaformat.cpp:394:33: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  394 |             else if (atom_count > resBondFromOffset)
      |                      ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 47%] Building CXX object src/formats/CMakeFiles/fpsformat.dir/fpsformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfpsformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fpsformat.dir/fpsformat.cpp.o -MF CMakeFiles/fpsformat.dir/fpsformat.cpp.o.d -o CMakeFiles/fpsformat.dir/fpsformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp: In member function ‘virtual bool OpenBabel::FPSFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp:152:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  152 |   for(unsigned i=0;i<(_nbits+31)/32;++i)
      |                    ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp: In member function ‘std::string OpenBabel::FPSFormat::getTimeStr()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp:175:10: warning: variable ‘time_res’ set but not used [-Wunused-but-set-variable]
  175 |   size_t time_res;                             /* Result of strftime                */
      |          ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 55%] Linking CXX shared module ../../lib64/gromos96format.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gromos96format.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gromos96format.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gromos96format.so CMakeFiles/gromos96format.dir/gromos96format.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/rsmiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/build
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/png2format.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 47%] Building CXX object src/formats/CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dghemicalformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o -MF CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o.d -o CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/ghemicalformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/ghemicalformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/siestaformat.dir/siestaformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dsiestaformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/siestaformat.dir/siestaformat.cpp.o -MF CMakeFiles/siestaformat.dir/siestaformat.cpp.o.d -o CMakeFiles/siestaformat.dir/siestaformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp: In member function ‘virtual bool OpenBabel::SIESTAFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp:92:10: warning: variable ‘coordsAreAngstrom’ set but not used [-Wunused-but-set-variable]
   92 |     bool coordsAreAngstrom = false;
      |          ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp:98:12: warning: variable ‘size’ set but not used [-Wunused-but-set-variable]
   98 |     size_t size;
      |            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp:102:30: warning: unused variable ‘numSpecies’ [-Wunused-variable]
  102 |     int atomicNum, numAtoms, numSpecies;
      |                              ^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmpqcformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o -MF CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o.d -o CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpqcformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpqcformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 33%] Building CXX object src/formats/CMakeFiles/fchkformat.dir/fchkformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfchkformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fchkformat.dir/fchkformat.cpp.o -MF CMakeFiles/fchkformat.dir/fchkformat.cpp.o.d -o CMakeFiles/fchkformat.dir/fchkformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/functional:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp: In member function ‘virtual bool OpenBabel::FCHKFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:596:40: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  596 |         if (alphaorb_found && (numAOrb > alphaorb.size()))
      |                                ~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:609:40: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  609 |         if (betaorb_found &&  (numBOrb > betaorb.size()))
      |                                ~~~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:668:43: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = less_equal<int>; _Tp = int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  668 |                                    bind2nd(less_equal<int>(), 0)) ||
      |                                    ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441:
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:671:43: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = greater<int>; _Tp = int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  671 |                                    bind2nd(greater<int>(), MxBond)) ||
      |                                    ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:674:43: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = less<int>; _Tp = int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  674 |                                    bind2nd(less<int>(), 0)) ||
      |                                    ~~~~~~~^~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:677:43: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = greater<int>; _Tp = int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  677 |                                    bind2nd(greater<int>(), Natoms)))
      |                                    ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:700:40: warning: comparison of integer expressions of different signedness: ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  700 |     if (numAOrb > 0 && alphaorb.size() == numAOrb) {
      |                        ~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:704:41: warning: comparison of integer expressions of different signedness: ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  704 |       if (numBOrb > 0 && betaorb.size() == numBOrb) {  // open shell calculation
      |                          ~~~~~~~~~~~~~~~^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/mpdformat.dir/mpdformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmpdformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mpdformat.dir/mpdformat.cpp.o -MF CMakeFiles/mpdformat.dir/mpdformat.cpp.o.d -o CMakeFiles/mpdformat.dir/mpdformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpdformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpdformat.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpdformat.cpp: In member function ‘virtual bool OpenBabel::MPDFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpdformat.cpp:210:42: warning: variable ‘idx_true’ set but not used [-Wunused-but-set-variable]
  210 |     bool xml_true=false, pre_true=false, idx_true=false;
      |                                          ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/msmsformat.dir/msmsformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmsmsformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/msmsformat.dir/msmsformat.cpp.o -MF CMakeFiles/msmsformat.dir/msmsformat.cpp.o.d -o CMakeFiles/msmsformat.dir/msmsformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msmsformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msmsformat.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msmsformat.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 31%] Building CXX object src/formats/CMakeFiles/adfformat.dir/adfformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dadfformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/adfformat.dir/adfformat.cpp.o -MF CMakeFiles/adfformat.dir/adfformat.cpp.o.d -o CMakeFiles/adfformat.dir/adfformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:29:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:37:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:46:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:74:12: note:   by ‘double OpenBabel::OBGridData::GetValue(int, int, int) const’
   74 |     double GetValue(int i, int j, int k) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp: In member function ‘bool OpenBabel::OBT41Format::ReadASCII(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:871:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  871 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:871:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  871 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:884:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  884 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:884:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  884 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:906:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  906 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:906:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  906 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:921:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  921 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:921:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  921 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:936:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  936 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:936:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  936 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gulpformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gulpformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gulpformat.so CMakeFiles/gulpformat.dir/gulpformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 56%] Building CXX object src/formats/CMakeFiles/wlnformat.dir/wlnformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dwlnformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/wlnformat.dir/wlnformat.cpp.o -MF CMakeFiles/wlnformat.dir/wlnformat.cpp.o.d -o CMakeFiles/wlnformat.dir/wlnformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wlnformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wlnformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wlnformat.cpp: In member function ‘virtual bool OpenBabel::WLNFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wlnformat.cpp:138:17: warning: unused variable ‘title’ [-Wunused-variable]
  138 |     const char* title = pConv->GetTitle();
      |                 ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 58%] Linking CXX shared module ../../lib64/freefracformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/freefracformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/freefracformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/freefracformat.so CMakeFiles/freefracformat.dir/freefracformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 62%] Built target freefracformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pubchem.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 34%] Building CXX object src/formats/CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgausscubeformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o -MF CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o.d -o CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:74:12: note:   by ‘double OpenBabel::OBGridData::GetValue(int, int, int) const’
   74 |     double GetValue(int i, int j, int k) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp: In member function ‘virtual bool OpenBabel::OBGaussianCubeFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:432:25: warning: comparison of integer expressions of different signedness: ‘std::vector<OpenBabel::OBGridData*>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  432 |       while (vgd.size() < nCubes)
      |              ~~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:479:26: warning: comparison of integer expressions of different signedness: ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  479 |     while (values.size() < n*nCubes)
      |            ~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:114:17: warning: unused variable ‘title’ [-Wunused-variable]
  114 |     const char* title = pConv->GetTitle();
      |                 ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/msiformat.dir/msiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmsiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/msiformat.dir/msiformat.cpp.o -MF CMakeFiles/msiformat.dir/msiformat.cpp.o.d -o CMakeFiles/msiformat.dir/msiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp: In member function ‘virtual bool OpenBabel::MSIFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp:77:17: warning: unused variable ‘title’ [-Wunused-variable]
   77 |     const char* title = pConv->GetTitle();
      |                 ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp:193:28: warning: ‘atom’ may be used uninitialized [-Wmaybe-uninitialized]
  193 |             atom->SetVector(atof(vs[3].c_str()),
      |             ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
  194 |                             atof(vs[4].c_str()),
      |                             ~~~~~~~~~~~~~~~~~~~~
  195 |                             atof(vs[5].c_str()));
      |                             ~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp:109:13: note: ‘atom’ was declared here
  109 |     OBAtom *atom;
      |             ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 53%] Building CXX object src/formats/CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpcmodelformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o -MF CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o.d -o CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pcmodelformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pcmodelformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/stlformat.dir/stlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dstlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/stlformat.dir/stlformat.cpp.o -MF CMakeFiles/stlformat.dir/stlformat.cpp.o.d -o CMakeFiles/stlformat.dir/stlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/mmodformat.dir/mmodformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmmodformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mmodformat.dir/mmodformat.cpp.o -MF CMakeFiles/mmodformat.dir/mmodformat.cpp.o.d -o CMakeFiles/mmodformat.dir/mmodformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mmodformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp: In function ‘void OpenBabel::map_sphere(std::vector<Triangle>&, vector3, double, uint16_t)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp:157:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::vector3>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  157 |     for( int i=0 ; i < points.size()-2; i++ ) {
      |                    ~~^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mmodformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 53%] Building CXX object src/formats/CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpointcloudformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o -MF CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o.d -o CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp: In member function ‘virtual bool OpenBabel::PointCloudFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp:226:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  226 |     for( int j = 0; j < radius_mult_list.size(); j++ ) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/unichemformat.dir/unichemformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dunichemformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/unichemformat.dir/unichemformat.cpp.o -MF CMakeFiles/unichemformat.dir/unichemformat.cpp.o.d -o CMakeFiles/unichemformat.dir/unichemformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/unichemformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/unichemformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 61%] Linking CXX shared module ../../lib64/mpqcformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mpqcformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mpqcformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mpqcformat.so CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 53%] Building CXX object src/formats/CMakeFiles/outformat.dir/outformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Doutformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/outformat.dir/outformat.cpp.o -MF CMakeFiles/outformat.dir/outformat.cpp.o.d -o CMakeFiles/outformat.dir/outformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/outformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/outformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 56%] Building CXX object src/formats/CMakeFiles/xedformat.dir/xedformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxedformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xedformat.dir/xedformat.cpp.o -MF CMakeFiles/xedformat.dir/xedformat.cpp.o.d -o CMakeFiles/xedformat.dir/xedformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xedformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xedformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dviewmolformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o -MF CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o.d -o CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/viewmolformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/viewmolformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 63%] Built target mpqcformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 61%] Linking CXX shared module ../../lib64/msmsformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/msmsformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/msmsformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/msmsformat.so CMakeFiles/msmsformat.dir/msmsformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 64%] Built target msmsformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/shelxformat.dir/shelxformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dshelxformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/shelxformat.dir/shelxformat.cpp.o -MF CMakeFiles/shelxformat.dir/shelxformat.cpp.o.d -o CMakeFiles/shelxformat.dir/shelxformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/shelxformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/shelxformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/matrix3x3.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/shelxformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 60%] Linking CXX shared module ../../lib64/ghemicalformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/ghemicalformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/ghemicalformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/ghemicalformat.so CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 64%] Built target ghemicalformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cmlreactformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mpdformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mpdformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mpdformat.so CMakeFiles/mpdformat.dir/mpdformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fpsformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fpsformat.so CMakeFiles/fpsformat.dir/fpsformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemdoodlejsonformat.dir/DependInfo.cmake "--color="
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/usr/bin/make  -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pubchemjsonformat.dir/DependInfo.cmake "--color="
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[ 58%] Linking CXX shared module ../../lib64/fingerprintformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fingerprintformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fingerprintformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fingerprintformat.so CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 64%] Built target fingerprintformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 25%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/inchiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/inchiformat.dir/inchiformat.cpp.o -MF CMakeFiles/inchiformat.dir/inchiformat.cpp.o.d -o CMakeFiles/inchiformat.dir/inchiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:134:19: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
  134 |     : public std::binary_function<const std::string&, const std::string&, bool>
      |                   ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h: In member function ‘bool OpenBabel::InChIFormat::InchiLess::operator()(const std::string&, const std::string&) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp: In member function ‘virtual bool OpenBabel::InChIFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:193:52: warning: comparison of integer expressions of different signedness: ‘long unsigned int’ and ‘AT_NUM’ {aka ‘short int’} [-Wsign-compare]
  193 |         if ( !(a->GetId() == ct->end || a->GetId() == stereo.neighbor[0] ) ) {
      |                                         ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:199:54: warning: comparison of integer expressions of different signedness: ‘long unsigned int’ and ‘AT_NUM’ {aka ‘short int’} [-Wsign-compare]
  199 |         if ( !(b->GetId() == ct->begin || b->GetId() == stereo.neighbor[3] ) ) {
      |                                           ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/crystal09format.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/crystal09format.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/crystal09format.so CMakeFiles/crystal09format.dir/crystal09format.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/make  -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gausszmatformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gausszmatformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gausszmatformat.so CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fastaformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fastaformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fastaformat.so CMakeFiles/fastaformat.dir/fastaformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools/CMakeFiles/obabel.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpdbformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pdbformat.dir/pdbformat.cpp.o -MF CMakeFiles/pdbformat.dir/pdbformat.cpp.o.d -o CMakeFiles/pdbformat.dir/pdbformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp: In member function ‘virtual bool OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:615:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘const int’ [-Wsign-compare]
  615 |               if (origin == pUC->GetSpaceGroup()->HEXAGONAL_ORIGIN)
      |                   ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:684:58: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
  684 |             snprintf(type_name, sizeof(type_name), " %-3s", tmp);
      |                                                          ^
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:684:21:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp: In member function ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:702:70: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
  702 |                     snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
      |                                                                      ^
In function ‘snprintf’,
    inlined from ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:702:29:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp: In member function ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:739:35: warning: ‘%+d’ directive output may be truncated writing between 2 and 6 bytes into a region of size 3 [-Wformat-truncation=]
  739 |             snprintf(scharge, 3, "%+d", charge);
      |                                   ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:739:34: note: directive argument in the range [-32768, 32767]
  739 |             snprintf(scharge, 3, "%+d", charge);
      |                                  ^~~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:739:21:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 3 and 7 bytes into a destination of size 3
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp: In member function ‘OpenBabel::PDBFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32761 [-Wstringop-truncation]
  303 |     strncpy(integerBuffer, buffer+columnAsSpecifiedInPDB-1, 5);
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32756 [-Wstringop-truncation]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32751 [-Wstringop-truncation]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32746 [-Wstringop-truncation]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32741 [-Wstringop-truncation]
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools/CMakeFiles/obenergy.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obenergy.dir/build.make tools/CMakeFiles/obenergy.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 43%] Building CXX object src/formats/CMakeFiles/cofformat.dir/cofformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcofformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cofformat.dir/cofformat.cpp.o -MF CMakeFiles/cofformat.dir/cofformat.cpp.o.d -o CMakeFiles/cofformat.dir/cofformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp: In member function ‘virtual bool OpenBabel::COFFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:133:22: warning: comparison of integer expressions of different signedness: ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  133 |         if(vs.size() < offset+9)
      |            ~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:180:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  180 |           for(int j=0 ; j< natoms ; j++)
      |                         ~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp: In member function ‘virtual bool OpenBabel::COFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:368:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  368 |       for( int j=0; j<elems.size(); j++)
      |                     ~^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:410:9: warning: unused variable ‘nbonds’ [-Wunused-variable]
  410 |     int nbonds = mol.NumBonds();
      |         ^~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 47%] Linking CXX shared module ../lib64/plugin_fingerprints.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_fingerprints.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/plugin_fingerprints.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_fingerprints.so CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 66%] Built target plugin_fingerprints
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 55%] Linking CXX shared module ../../lib64/molproformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/molproformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/molproformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/molproformat.so CMakeFiles/molproformat.dir/molproformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/opendxformat.dir/opendxformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dopendxformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/opendxformat.dir/opendxformat.cpp.o -MF CMakeFiles/opendxformat.dir/opendxformat.cpp.o.d -o CMakeFiles/opendxformat.dir/opendxformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:74:12: note:   by ‘double OpenBabel::OBGridData::GetValue(int, int, int) const’
   74 |     double GetValue(int i, int j, int k) const;
      |            ^~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 66%] Built target molproformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obfit.dir/build.make tools/CMakeFiles/obfit.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 57%] Building CXX object src/formats/CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dyasaraformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o -MF CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o.d -o CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp: In function ‘OpenBabel::mobatom* OpenBabel::mob_next(mobatom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:45:33: warning: dereferencing type-punned pointer will break strict-aliasing rules [-Wstrict-aliasing]
   45 | #define mem_inc(POINTER,INC) (*((char**)&(POINTER))+=(INC))
      |                                ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:227:3: note: in expansion of macro ‘mem_inc’
  227 | { mem_inc(atom,mob_atomsize(atom));
      |   ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp: In member function ‘virtual bool OpenBabel::YOBFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:374:21: warning: variable ‘reslen’ set but not used [-Wunused-but-set-variable]
  374 |   int /*samenames,*/reslen,charged;
      |                     ^~~~~~
In file included from /usr/include/string.h:548,
                 from /usr/include/c++/15/cstring:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:29:
In function ‘memcpy’,
    inlined from ‘OpenBabel::YOBFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:440:82:
/usr/include/bits/string_fortified.h:29:33: warning: ‘memcpy’ accessing 4 bytes at offsets 0 and 1 overlaps 3 bytes at offset 1 [-Wrestrict]
   29 |   return __builtin___memcpy_chk (__dest, __src, __len,
      |          ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
   30 |                                  __glibc_objsize0 (__dest));
      |                                  ~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp: In member function ‘OpenBabel::YOBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:572:36: warning: ‘__snprintf_chk’ output truncated before the last format character [-Wformat-truncation=]
  572 |       snprintf(&buffer[12], 4, "%4d",res->GetNum()); }
      |                                    ^
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::YOBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:572:15:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 12 bytes into a destination of size 4
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp: In function ‘OpenBabel::mob_getid(OpenBabel::atomid*, OpenBabel::mobatom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:245:26: warning: array subscript 4 is above array bounds of ‘int32[4]’ [-Warray-bounds=]
  245 |   { inscodealtloc=int32le(atom->link[idpos++]);
      |                   ~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:192:9: note: while referencing ‘link’
  192 |   int32 link[4]; };
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:253:60: warning: array subscript 4 is above array bounds of ‘int32[4]’ [-Warray-bounds=]
  253 |   if (flags&MOB_SEGMENTFLAG) id->segment=atom->link[idpos++];
      |                                          ~~~~~~~~~~~~~~~~~~^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:192:9: note: while referencing ‘link’
  192 |   int32 link[4]; };
      |         ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools/CMakeFiles/obfit.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obfit.dir/build.make tools/CMakeFiles/obfit.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/posformat.dir/posformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dposformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/posformat.dir/posformat.cpp.o -MF CMakeFiles/posformat.dir/posformat.cpp.o.d -o CMakeFiles/posformat.dir/posformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/posformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/posformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dtinkerformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o -MF CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o.d -o CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp: In function ‘int OpenBabel::SetMM3Type(OBAtom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp:415:11: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  415 |           if (b->GetHyb() == 2) // S=C
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp:416:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  416 |             countNeighborC++; break;
      |                               ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 61%] Building CXX object src/formats/CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpng2format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o -MF CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o.d -o CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/cairopainter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 45%] Building CXX object src/formats/CMakeFiles/exyzformat.dir/exyzformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dexyzformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/exyzformat.dir/exyzformat.cpp.o -MF CMakeFiles/exyzformat.dir/exyzformat.cpp.o.d -o CMakeFiles/exyzformat.dir/exyzformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/exyzformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/exyzformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/exyzformat.cpp: In member function ‘virtual bool OpenBabel::EXYZFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/exyzformat.cpp:124:19: warning: variable ‘virtualAtoms’ set but not used [-Wunused-but-set-variable]
  124 |     bool unitCell,virtualAtoms;
      |                   ^~~~~~~~~~~~
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/shelxformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/shelxformat.so CMakeFiles/shelxformat.dir/shelxformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools/CMakeFiles/obprop.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools/CMakeFiles/obprobe.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/thermoformat.dir/thermoformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dthermoformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/thermoformat.dir/thermoformat.cpp.o -MF CMakeFiles/thermoformat.dir/thermoformat.cpp.o.d -o CMakeFiles/thermoformat.dir/thermoformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/thermoformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 68%] Built target shelxformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obrotamer.dir/build.make tools/CMakeFiles/obrotamer.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/thermoformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/thermoformat.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools/CMakeFiles/obrotamer.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obrotamer.dir/build.make tools/CMakeFiles/obrotamer.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 57%] Building CXX object src/formats/CMakeFiles/rxnformat.dir/rxnformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Drxnformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/rxnformat.dir/rxnformat.cpp.o -MF CMakeFiles/rxnformat.dir/rxnformat.cpp.o.d -o CMakeFiles/rxnformat.dir/rxnformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp:18:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp: In member function ‘virtual bool OpenBabel::RXNFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp:196:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  196 |       for (int i=0; i<num_components; i++)
      |                     ~^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/msiformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/msiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/msiformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/msiformat.so CMakeFiles/msiformat.dir/msiformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 69%] Built target msiformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obrotate.dir/build.make tools/CMakeFiles/obrotate.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools/CMakeFiles/obrotate.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obrotate.dir/build.make tools/CMakeFiles/obrotate.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 37%] Building CXX object src/formats/CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dnwchemformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o -MF CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o.d -o CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadCoordinates(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:228:72: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  228 |             if ((i>=natoms) || (molecule->GetAtom(i+1)->GetAtomicNum() != atoi(vs[2].c_str())))
      |                                 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadMultipoleMoment(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:306:17: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else]
  306 |         else if (vs[0][0] == '1')
      |                 ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadPartialCharges(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:423:56: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  423 |             if (molecule->GetAtom(i++)->GetAtomicNum() != charge)
      |                 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadMEPCalculation(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:571:25: warning: comparison of integer expressions of different signedness: ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  571 |     if (energies.size() != molecule->NumConformers())
      |         ~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadZTSCalculation(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:932:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  932 |                 if (atoi(buffer) != natoms)
      |                     ~~~~~~~~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:111:20: warning: ‘OpenBabel::BETA_ORBITAL_PATTERN’ defined but not used [-Wunused-variable]
  111 | static const char* BETA_ORBITAL_PATTERN = "Beta";
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘OpenBabel::NWChemOutputFormat::ReadZTSCalculation(std::basic_istream<char, std::char_traits<char> >*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:957:21: warning: ‘nbeads’ may be used uninitialized [-Wmaybe-uninitialized]
  957 |                     if (bead_number != nbeads)
      |                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:900:18: note: ‘nbeads’ was declared here
  900 |     unsigned int nbeads;
      |                  ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘OpenBabel::NWChemOutputFormat::ReadSinglePointCalculation(std::basic_istream<char, std::char_traits<char> >*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:772:5: warning: ‘energy’ may be used uninitialized [-Wmaybe-uninitialized]
  772 |     if (energy == 0)
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:750:12: note: ‘energy’ was declared here
  750 |     double energy;
      |            ^~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 63%] Linking CXX shared module ../../lib64/outformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/outformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/outformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/outformat.so CMakeFiles/outformat.dir/outformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 69%] Built target outformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obsym.dir/build.make tools/CMakeFiles/obsym.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 47%] Building CXX object src/formats/CMakeFiles/groformat.dir/groformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgroformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/groformat.dir/groformat.cpp.o -MF CMakeFiles/groformat.dir/groformat.cpp.o.d -o CMakeFiles/groformat.dir/groformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp: In member function ‘OpenBabel::GROFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp:278:19: warning: ‘res’ may be used uninitialized [-Wmaybe-uninitialized]
  278 |       res->AddAtom(atom);
      |       ~~~~~~~~~~~~^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp:171:14: note: ‘res’ was declared here
  171 |   OBResidue* res;
      |              ^~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools/CMakeFiles/obsym.dir/DependInfo.cmake "--color="
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/usr/bin/make  -f tools/CMakeFiles/obsym.dir/build.make tools/CMakeFiles/obsym.dir/build
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pcmodelformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pcmodelformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pcmodelformat.so CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/make  -f tools/CMakeFiles/obtautomer.dir/build.make tools/CMakeFiles/obtautomer.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mmodformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mmodformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mmodformat.so CMakeFiles/mmodformat.dir/mmodformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools/CMakeFiles/obtautomer.dir/DependInfo.cmake "--color="
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mol2format.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mol2format.so CMakeFiles/mol2format.dir/mol2format.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools/CMakeFiles/obthermo.dir/DependInfo.cmake "--color="
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make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools/CMakeFiles/obdistgen.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmopacformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mopacformat.dir/mopacformat.cpp.o -MF CMakeFiles/mopacformat.dir/mopacformat.cpp.o.d -o CMakeFiles/mopacformat.dir/mopacformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp: In member function ‘virtual bool OpenBabel::MOPACCARTFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:650:19: warning: variable ‘isotopeMass’ set but not used [-Wunused-but-set-variable]
  650 |     double x,y,z, isotopeMass;
      |                   ^~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/atom.h:35,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:19:
In member function ‘OpenBabel::vector3::Set(double, double, double)’,
    inlined from ‘OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:216:66:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/vector3.h:89:11: warning: ‘x’ may be used uninitialized [-Wmaybe-uninitialized]
   89 |       _vx = inX;
      |       ~~~~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp: In member function ‘OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:81:12: note: ‘x’ was declared here
   81 |     double x,y,z;
      |            ^
In member function ‘OpenBabel::vector3::Set(double, double, double)’,
    inlined from ‘OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:216:66:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/vector3.h:90:11: warning: ‘y’ may be used uninitialized [-Wmaybe-uninitialized]
   90 |       _vy = inY;
      |       ~~~~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp: In member function ‘OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:81:14: note: ‘y’ was declared here
   81 |     double x,y,z;
      |              ^
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/pubchem.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpubchem_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pubchem.dir/xml/pubchem.cpp.o -MF CMakeFiles/pubchem.dir/xml/pubchem.cpp.o.d -o CMakeFiles/pubchem.dir/xml/pubchem.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/pubchem.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/pubchem.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 64%] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o -MF CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o.d -o CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xmlformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obspectrophore.dir/build.make tools/CMakeFiles/obspectrophore.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xmlformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 57%] Building CXX object src/formats/CMakeFiles/xyzformat.dir/xyzformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxyzformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xyzformat.dir/xyzformat.cpp.o -MF CMakeFiles/xyzformat.dir/xyzformat.cpp.o.d -o CMakeFiles/xyzformat.dir/xyzformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xyzformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xyzformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools/CMakeFiles/obgrep.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools/CMakeFiles/obspectrophore.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obspectrophore.dir/build.make tools/CMakeFiles/obspectrophore.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 45%] Building CXX object src/formats/CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfastsearchformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o -MF CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o.d -o CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp: In member function ‘void OpenBabel::FastSearchFormat::AddPattern(std::vector<OpenBabel::OBMol>&, OpenBabel::OBMol, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp:690:11: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  690 |     if(idx>=patternMol.NumBonds())
      |        ~~~^~~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 67%] Linking CXX shared module ../../lib64/tinkerformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/tinkerformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/tinkerformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/tinkerformat.so CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 70%] Built target tinkerformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools/CMakeFiles/obrms.dir/DependInfo.cmake "--color="
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[ 67%] Linking CXX shared module ../../lib64/yasaraformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/yasaraformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/yasaraformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/yasaraformat.so CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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[ 62%] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcdxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o -MF CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o.d -o CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 70%] Built target yasaraformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/test_runner.dir/build.make test/CMakeFiles/test_runner.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/GUI /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/GUI/CMakeFiles/obgui.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 67%] Linking CXX shared module ../../lib64/posformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/posformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/posformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/posformat.so CMakeFiles/posformat.dir/posformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test/CMakeFiles/test_runner.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/test_runner.dir/build.make test/CMakeFiles/test_runner.dir/build
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 71%] Built target posformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test/CMakeFiles/test_inchiwrite.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 67%] Linking CXX shared module ../../lib64/opendxformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/opendxformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/opendxformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/opendxformat.so CMakeFiles/opendxformat.dir/opendxformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 72%] Built target opendxformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 61%] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcdxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o -MF CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o.d -o CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cdxmlformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cdxmlformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 69%] Linking CXX shared module ../../lib64/rxnformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rxnformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/rxnformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/rxnformat.so CMakeFiles/rxnformat.dir/rxnformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test/CMakeFiles/roundtrip.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/build
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 73%] Built target rxnformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 71%] Building CXX object test/CMakeFiles/test_runner.dir/test_runner.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/test_runner.cpp.o -MF CMakeFiles/test_runner.dir/test_runner.cpp.o.d -o CMakeFiles/test_runner.dir/test_runner.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test/test_runner.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 60%] Linking CXX shared module ../../lib64/siestaformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/siestaformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/siestaformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/siestaformat.so CMakeFiles/siestaformat.dir/siestaformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 74%] Built target siestaformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 59%] Building CXX object src/formats/CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Drinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o -MF CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o.d -o CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rinchiformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rinchiformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rinchiformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 64%] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xmlformat.dir/xml/xml.cpp.o -MF CMakeFiles/xmlformat.dir/xml/xml.cpp.o.d -o CMakeFiles/xmlformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 69%] Linking CXX shared module ../../lib64/thermoformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/thermoformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/thermoformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/thermoformat.so CMakeFiles/thermoformat.dir/thermoformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 70%] Building CXX object tools/CMakeFiles/obsym.dir/obsym.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obsym.dir/obsym.cpp.o -MF CMakeFiles/obsym.dir/obsym.cpp.o.d -o CMakeFiles/obsym.dir/obsym.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obsym.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obsym.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obsym.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 75%] Built target thermoformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 49%] Building CXX object src/formats/CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dlmpdatformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o -MF CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o.d -o CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp: In member function ‘virtual bool OpenBabel::LMPDATFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp:277:20: warning: unused variable ‘length’ [-Wunused-variable]
  277 |             double length=cmax-cmin;
      |                    ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp:367:25: warning: unused variable ‘atomid’ [-Wunused-variable]
  367 |                     int atomid=5;
      |                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp:368:28: warning: unused variable ‘charge’ [-Wunused-variable]
  368 |                     double charge=0.5;
      |                            ^~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 66%] Building CXX object tools/CMakeFiles/obenergy.dir/obenergy.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obenergy.dir/obenergy.cpp.o -MF CMakeFiles/obenergy.dir/obenergy.cpp.o.d -o CMakeFiles/obenergy.dir/obenergy.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obenergy.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obenergy.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obenergy.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 44%] Building CXX object src/formats/CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Ddlpolyformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o -MF CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o.d -o CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dlpolyformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dlpolyformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dlpolyformat.cpp: In member function ‘bool OpenBabel::DlpolyInputReader::ParseUnitCell(std::istream&, OpenBabel::OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dlpolyformat.cpp:152:10: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
  152 |     bool ok;
      |          ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 18%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_ruby.dir/build.make scripts/CMakeFiles/bindings_ruby.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGhemical::OBFFBondCalculationGhemical(OpenBabel::OBFFBondCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:29:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGhemical>::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(std::allocator<OpenBabel::OBFFBondCalculationGhemical>&, OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGhemical, std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::push_back(OpenBabel::OBFFBondCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:477:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:435:33: note: ‘bondcalc’ declared here
  435 |     OBFFBondCalculationGhemical bondcalc;
      |                                 ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGhemical::OBFFBondCalculationGhemical(OpenBabel::OBFFBondCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:29:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGhemical>::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(std::allocator<OpenBabel::OBFFBondCalculationGhemical>&, OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGhemical, std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::push_back(OpenBabel::OBFFBondCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:477:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:435:33: note: ‘bondcalc’ declared here
  435 |     OBFFBondCalculationGhemical bondcalc;
      |                                 ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGhemical::OBFFBondCalculationGhemical(OpenBabel::OBFFBondCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:29:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGhemical>::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(std::allocator<OpenBabel::OBFFBondCalculationGhemical>&, OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGhemical, std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::push_back(OpenBabel::OBFFBondCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:492:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:435:33: note: ‘bondcalc’ declared here
  435 |     OBFFBondCalculationGhemical bondcalc;
      |                                 ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGhemical::OBFFBondCalculationGhemical(OpenBabel::OBFFBondCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:29:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGhemical>::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(std::allocator<OpenBabel::OBFFBondCalculationGhemical>&, OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGhemical, std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::push_back(OpenBabel::OBFFBondCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:492:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:435:33: note: ‘bondcalc’ declared here
  435 |     OBFFBondCalculationGhemical bondcalc;
      |                                 ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:542:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:542:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:542:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:558:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:558:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:558:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ was declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘vdwcalc’ declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘vdwcalc’ declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9: warning: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGhemical *)&vdwcalc + 104B]’ may be used uninitialized [-Wmaybe-uninitialized]
   56 |   class OBFFVDWCalculationGhemical : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGhemical *)&vdwcalc + 104B]’ was declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9: warning: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGhemical *)&vdwcalc + 105B]’ may be used uninitialized [-Wmaybe-uninitialized]
   56 |   class OBFFVDWCalculationGhemical : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGhemical *)&vdwcalc + 105B]’ was declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9: warning: ‘MEM[(const struct OBFFVDWCalculationGhemical &)&vdwcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   56 |   class OBFFVDWCalculationGhemical : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘MEM[(const struct OBFFVDWCalculationGhemical &)&vdwcalc].rab’ was declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationGhemical::OBFFElectrostaticCalculationGhemical(OpenBabel::OBFFElectrostaticCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:71:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationGhemical>::construct<OpenBabel::OBFFElectrostaticCalculationGhemical, OpenBabel::OBFFElectrostaticCalculationGhemical const&>(OpenBabel::OBFFElectrostaticCalculationGhemical*, OpenBabel::OBFFElectrostaticCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical> >::construct<OpenBabel::OBFFElectrostaticCalculationGhemical, OpenBabel::OBFFElectrostaticCalculationGhemical const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical>&, OpenBabel::OBFFElectrostaticCalculationGhemical*, OpenBabel::OBFFElectrostaticCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationGhemical, std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical> >::push_back(OpenBabel::OBFFElectrostaticCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:829:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:787:42: note: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ was declared here
  787 |     OBFFElectrostaticCalculationGhemical elecalc;
      |                                          ^~~~~~~
In member function ‘OpenBabel::OBFFElectrostaticCalculationGhemical::OBFFElectrostaticCalculationGhemical(OpenBabel::OBFFElectrostaticCalculationGhemical const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationGhemical>::construct<OpenBabel::OBFFElectrostaticCalculationGhemical, OpenBabel::OBFFElectrostaticCalculationGhemical const&>(OpenBabel::OBFFElectrostaticCalculationGhemical*, OpenBabel::OBFFElectrostaticCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical> >::construct<OpenBabel::OBFFElectrostaticCalculationGhemical, OpenBabel::OBFFElectrostaticCalculationGhemical const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical>&, OpenBabel::OBFFElectrostaticCalculationGhemical*, OpenBabel::OBFFElectrostaticCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationGhemical, std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical> >::push_back(OpenBabel::OBFFElectrostaticCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:829:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:71:9: warning: ‘MEM[(const struct OBFFElectrostaticCalculationGhemical &)&elecalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   71 |   class OBFFElectrostaticCalculationGhemical : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:787:42: note: ‘MEM[(const struct OBFFElectrostaticCalculationGhemical &)&elecalc].rab’ was declared here
  787 |     OBFFElectrostaticCalculationGhemical elecalc;
      |                                          ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 65%] Building CXX object tools/CMakeFiles/obabel.dir/obabel.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obabel.dir/obabel.cpp.o -MF CMakeFiles/obabel.dir/obabel.cpp.o.d -o CMakeFiles/obabel.dir/obabel.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obabel.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obabel.cpp:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obabel.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 59%] Building CXX object src/formats/CMakeFiles/png2format.dir/png2format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpng2format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/png2format.dir/png2format.cpp.o -MF CMakeFiles/png2format.dir/png2format.cpp.o.d -o CMakeFiles/png2format.dir/png2format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp: In member function ‘virtual bool OpenBabel::PNG2Format::WriteChemObject(OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp:105:42: warning: comparison of integer expressions of different signedness: ‘std::vector<OpenBabel::OBBase*>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  105 |   bool nomore = _nmax && (_objects.size()==_nmax);
      |                           ~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp:135:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBBase*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  135 |       pConv->SetLast(n==_objects.size());
      |                      ~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 70%] Building CXX object tools/CMakeFiles/obtautomer.dir/obtautomer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obtautomer.dir/obtautomer.cpp.o -MF CMakeFiles/obtautomer.dir/obtautomer.cpp.o.d -o CMakeFiles/obtautomer.dir/obtautomer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obtautomer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/pqrformat.dir/pqrformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpqrformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pqrformat.dir/pqrformat.cpp.o -MF CMakeFiles/pqrformat.dir/pqrformat.cpp.o.d -o CMakeFiles/pqrformat.dir/pqrformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obtautomer.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obtautomer.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp: In function ‘double OpenBabel::parseAtomCharge(char*, OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:207:13: warning: unused variable ‘atom’ [-Wunused-variable]
  207 |     OBAtom *atom = mol.GetAtom(mol.NumAtoms());
      |             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp: In function ‘double OpenBabel::parseAtomRadius(char*, OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:222:13: warning: unused variable ‘atom’ [-Wunused-variable]
  222 |     OBAtom *atom = mol.GetAtom(mol.NumAtoms());
      |             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp: In member function ‘OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:511:58: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
  511 |             snprintf(type_name, sizeof(type_name), " %-3s", tmp);
      |                                                          ^
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:511:21:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp: In member function ‘OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:528:66: warning: ‘%-3s’ directive output may be truncated writing between 3 and 15 bytes into a region of size 9 [-Wformat-truncation=]
  528 |                     snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
      |                                                                  ^~~~   ~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:528:29:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 17 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 65%] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpubchem_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pubchem.dir/xml/xml.cpp.o -MF CMakeFiles/pubchem.dir/xml/xml.cpp.o.d -o CMakeFiles/pubchem.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/moldenformat.dir/moldenformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmoldenformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/moldenformat.dir/moldenformat.cpp.o -MF CMakeFiles/moldenformat.dir/moldenformat.cpp.o.d -o CMakeFiles/moldenformat.dir/moldenformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/moldenformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/moldenformat.cpp:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/moldenformat.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 59%] Building CXX object src/formats/CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Drsmiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o -MF CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o.d -o CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 66%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o -MF CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o.d -o CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 70%] Building CXX object tools/CMakeFiles/obthermo.dir/obthermo.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obthermo.dir/obthermo.cpp.o -MF CMakeFiles/obthermo.dir/obthermo.cpp.o.d -o CMakeFiles/obthermo.dir/obthermo.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp: In function ‘int main(int, char**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp:159:18: warning: unused variable ‘Rgas’ [-Wunused-variable]
  159 |           double Rgas  = 1.9872041; // cal/mol K
      |                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp:42:10: warning: variable ‘bKJ’ set but not used [-Wunused-but-set-variable]
   42 |   bool   bKJ   = false;
      |          ^~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 66%] Building CXX object tools/CMakeFiles/obconformer.dir/obconformer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obconformer.dir/obconformer.cpp.o -MF CMakeFiles/obconformer.dir/obconformer.cpp.o.d -o CMakeFiles/obconformer.dir/obconformer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obconformer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obconformer.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 75%] Linking CXX executable ../bin/obsym
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obsym.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obsym.dir/link.d CMakeFiles/obsym.dir/obsym.cpp.o -o ../bin/obsym  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 67%] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cmlformat.dir/xml/xml.cpp.o -MF CMakeFiles/cmlformat.dir/xml/xml.cpp.o.d -o CMakeFiles/cmlformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 68%] Building CXX object tools/CMakeFiles/obgen.dir/obgen.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obgen.dir/obgen.cpp.o -MF CMakeFiles/obgen.dir/obgen.cpp.o.d -o CMakeFiles/obgen.dir/obgen.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgen.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgen.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgen.cpp:30:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 79%] Built target obsym
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 70%] Building CXX object tools/CMakeFiles/obgrep.dir/obgrep.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obgrep.dir/obgrep.cpp.o -MF CMakeFiles/obgrep.dir/obgrep.cpp.o.d -o CMakeFiles/obgrep.dir/obgrep.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgrep.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgrep.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgrep.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgamessukformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o -MF CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o.d -o CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp: In member function ‘bool OpenBabel::GAMESSUKOutputFormat::ReadInitialCartesian(OpenBabel::OBMol&, std::istream&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:787:10: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
  787 |     bool ok=false;
      |          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp: In member function ‘bool OpenBabel::GAMESSUKOutputFormat::ReadOptGeomXyz1(OpenBabel::OBMol&, std::istream&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:853:12: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
  853 |       bool ok=false;
      |            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp: In member function ‘bool OpenBabel::GAMESSUKOutputFormat::ReadOptGeomXyz2(OpenBabel::OBMol&, std::istream&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:900:12: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
  900 |       bool ok=false;
      |            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp: In member function ‘virtual bool OpenBabel::GAMESSUKOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:1215:12: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
 1215 |       bool ok;
      |            ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 68%] Building CXX object tools/CMakeFiles/obminimize.dir/obminimize.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obminimize.dir/obminimize.cpp.o -MF CMakeFiles/obminimize.dir/obminimize.cpp.o.d -o CMakeFiles/obminimize.dir/obminimize.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obminimize.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obminimize.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obminimize.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 72%] Building CXX object test/CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o -MF CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o.d -o CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchiwrite.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchiwrite.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchiwrite.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 76%] Linking CXX executable ../bin/obtautomer
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obtautomer.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obtautomer.dir/link.d CMakeFiles/obtautomer.dir/obtautomer.cpp.o -o ../bin/obtautomer  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 80%] Built target obtautomer
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 61%] Linking CXX shared module ../../lib64/fchkformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fchkformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fchkformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fchkformat.so CMakeFiles/fchkformat.dir/fchkformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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[ 75%] Linking CXX executable ../bin/obenergy
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obenergy.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obenergy.dir/link.d CMakeFiles/obenergy.dir/obenergy.cpp.o -o ../bin/obenergy  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 80%] Built target fchkformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/xyzformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/xyzformat.so CMakeFiles/xyzformat.dir/xyzformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/adfformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/adfformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/adfformat.so CMakeFiles/adfformat.dir/adfformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 69%] Building CXX object tools/CMakeFiles/obrotate.dir/obrotate.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obrotate.dir/obrotate.cpp.o -MF CMakeFiles/obrotate.dir/obrotate.cpp.o.d -o CMakeFiles/obrotate.dir/obrotate.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:38:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp: In function ‘main’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:175:28: warning: ‘a2’ may be used uninitialized [-Wmaybe-uninitialized]
  175 |       if ( !a2->IsConnected(a3) ) {
      |             ~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:52:16: note: ‘a2’ was declared here
   52 |   OBAtom *a1, *a2, *a3, *a4;
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:175:28: warning: ‘a3’ may be used uninitialized [-Wmaybe-uninitialized]
  175 |       if ( !a2->IsConnected(a3) ) {
      |             ~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:52:21: note: ‘a3’ was declared here
   52 |   OBAtom *a1, *a2, *a3, *a4;
      |                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:181:23: warning: ‘a1’ may be used uninitialized [-Wmaybe-uninitialized]
  181 |         mol.SetTorsion(a1, a2, a3, a4, angle * DEG_TO_RAD);
      |         ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:52:11: note: ‘a1’ was declared here
   52 |   OBAtom *a1, *a2, *a3, *a4;
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:181:23: warning: ‘a4’ may be used uninitialized [-Wmaybe-uninitialized]
  181 |         mol.SetTorsion(a1, a2, a3, a4, angle * DEG_TO_RAD);
      |         ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:52:26: note: ‘a4’ was declared here
   52 |   OBAtom *a1, *a2, *a3, *a4;
      |                          ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 67%] Building CXX object tools/CMakeFiles/obfit.dir/obfit.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obfit.dir/obfit.cpp.o -MF CMakeFiles/obfit.dir/obfit.cpp.o.d -o CMakeFiles/obfit.dir/obfit.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfit.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfit.cpp:37:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfit.cpp:35:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 76%] Building CXX object test/CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -MF CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o.d -o CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/getinchi.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 68%] Building CXX object tools/CMakeFiles/obfitall.dir/obfitall.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obfitall.dir/obfitall.cpp.o -MF CMakeFiles/obfitall.dir/obfitall.cpp.o.d -o CMakeFiles/obfitall.dir/obfitall.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp:35:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp: In function ‘int main(int, char**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp:219:18: warning: unused variable ‘best_rmsd’ [-Wunused-variable]
  219 |           double best_rmsd = 999.999;
      |                  ^~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/gausscubeformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gausscubeformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gausscubeformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gausscubeformat.so CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cofformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cofformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cofformat.so CMakeFiles/cofformat.dir/cofformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgrep.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obgrep.dir/link.d CMakeFiles/obgrep.dir/obgrep.cpp.o -o ../bin/obgrep  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/groformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/groformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/groformat.so CMakeFiles/groformat.dir/groformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 83%] Built target groformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 68%] Linking CXX shared module ../../lib64/exyzformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/exyzformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/exyzformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/exyzformat.so CMakeFiles/exyzformat.dir/exyzformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 69%] Building CXX object tools/CMakeFiles/obrotamer.dir/obrotamer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obrotamer.dir/obrotamer.cpp.o -MF CMakeFiles/obrotamer.dir/obrotamer.cpp.o.d -o CMakeFiles/obrotamer.dir/obrotamer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotamer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotamer.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotamer.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotamer.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/../src/rand.cpp:428:15: warning: ‘void OpenBabel::GenerateSequence(unsigned int, unsigned int, unsigned int, unsigned int)’ defined but not used [-Wunused-function]
  428 |   static void GenerateSequence( unsigned int p, unsigned int m,
      |               ^~~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 83%] Built target exyzformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/orcaformat.dir/orcaformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dorcaformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/orcaformat.dir/orcaformat.cpp.o -MF CMakeFiles/orcaformat.dir/orcaformat.cpp.o.d -o CMakeFiles/orcaformat.dir/orcaformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp: In member function ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:348:33: warning: comparison of integer expressions of different signedness: ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  348 |                 while(vs.size() == nColumn+1) {
      |                       ~~~~~~~~~~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:363:48: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  363 |                     for (unsigned int i = 0; i < nColumn; i++) {
      |                                              ~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:375:44: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  375 |                 for (unsigned int i = 0; i < nColumn; i++) {
      |                                          ~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:131:12: warning: unused variable ‘energy’ [-Wunused-variable]
  131 |     double energy=0;
      |            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:138:9: warning: variable ‘nModeAll’ set but not used [-Wunused-but-set-variable]
  138 |     int nModeAll = 0;
      |         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:149:13: warning: ‘confCoords’ may be used uninitialized [-Wmaybe-uninitialized]
  149 |     double* confCoords;
      |             ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:220:36: warning: ‘atom’ may be used uninitialized [-Wmaybe-uninitialized]
  220 |                     atom->SetVector(x,y,z); //set atom coordinates
      |                     ~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:162:13: note: ‘atom’ was declared here
  162 |     OBAtom *atom;
      |             ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 50%] Building CXX object src/formats/CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dlpmdformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o -MF CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o.d -o CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp: In member function ‘virtual bool OpenBabel::LpmdFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:196:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  196 |   if(int(headers.size()-1)!=tokens.size())
      |      ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:210:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  210 |   for(int i=1 ; i < headers.size() ; ++i) //the first element is HDR
      |                 ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:243:11: warning: unused variable ‘FX’ [-Wunused-variable]
  243 |    double FX = AX/mass; double FY = AY/mass; double FZ = AZ/mass;
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:243:32: warning: unused variable ‘FY’ [-Wunused-variable]
  243 |    double FX = AX/mass; double FY = AY/mass; double FZ = AZ/mass;
      |                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:243:53: warning: unused variable ‘FZ’ [-Wunused-variable]
  243 |    double FX = AX/mass; double FY = AY/mass; double FZ = AZ/mass;
      |                                                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp: In member function ‘virtual bool OpenBabel::LpmdFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:366:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  366 |   for(int i=0; i < mol.NumAtoms() ; ++i)
      |                ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:382:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  382 |  for(int i=0;i<mol.NumAtoms();++i)
      |              ~^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 69%] Building CXX object tools/CMakeFiles/obprobe.dir/obprobe.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obprobe.dir/obprobe.cpp.o -MF CMakeFiles/obprobe.dir/obprobe.cpp.o.d -o CMakeFiles/obprobe.dir/obprobe.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprobe.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprobe.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprobe.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:74:12: note:   by ‘double OpenBabel::OBGridData::GetValue(int, int, int) const’
   74 |     double GetValue(int i, int j, int k) const;
      |            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprobe.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 54%] Linking CXX shared module ../lib64/plugin_ops.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_ops.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/plugin_ops.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_ops.so CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o CMakeFiles/plugin_ops.dir/ops/largest.cpp.o CMakeFiles/plugin_ops.dir/ops/loader.cpp.o CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o CMakeFiles/plugin_ops.dir/ops/sort.cpp.o CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o CMakeFiles/plugin_ops.dir/ops/xout.cpp.o CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 75%] Linking CXX shared module ../../lib64/xmlformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xmlformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/xmlformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/xmlformat.so CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o CMakeFiles/xmlformat.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 84%] Built target plugin_ops
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 69%] Building CXX object tools/CMakeFiles/obprop.dir/obprop.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obprop.dir/obprop.cpp.o -MF CMakeFiles/obprop.dir/obprop.cpp.o.d -o CMakeFiles/obprop.dir/obprop.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprop.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 84%] Built target xmlformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 76%] Linking CXX executable ../bin/obabel
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obabel.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obabel.dir/link.d CMakeFiles/obabel.dir/obabel.cpp.o -o ../bin/obabel  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprop.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprop.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 85%] Built target obabel
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 73%] Building CXX object test/CMakeFiles/roundtrip.dir/roundtrip.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/roundtrip.dir/roundtrip.cpp.o -MF CMakeFiles/roundtrip.dir/roundtrip.cpp.o.d -o CMakeFiles/roundtrip.dir/roundtrip.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/roundtrip.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/roundtrip.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/roundtrip.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 79%] Linking CXX executable ../bin/obgen
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgen.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obgen.dir/link.d CMakeFiles/obgen.dir/obgen.cpp.o -o ../bin/obgen  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 85%] Built target obgen
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 68%] Building CXX object tools/CMakeFiles/obmm.dir/obmm.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obmm.dir/obmm.cpp.o -MF CMakeFiles/obmm.dir/obmm.cpp.o.d -o CMakeFiles/obmm.dir/obmm.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obmm.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obmm.cpp:58:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obmm.cpp:54:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 56%] Building CXX object src/formats/CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGaff::OBFFBondCalculationGaff(OpenBabel::OBFFBondCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:31:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGaff>::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGaff> >::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(std::allocator<OpenBabel::OBFFBondCalculationGaff>&, OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGaff, std::allocator<OpenBabel::OBFFBondCalculationGaff> >::push_back(OpenBabel::OBFFBondCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:572:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:535:29: note: ‘bondcalc’ declared here
  535 |     OBFFBondCalculationGaff bondcalc;
      |                             ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGaff::OBFFBondCalculationGaff(OpenBabel::OBFFBondCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:31:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGaff>::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGaff> >::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(std::allocator<OpenBabel::OBFFBondCalculationGaff>&, OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGaff, std::allocator<OpenBabel::OBFFBondCalculationGaff> >::push_back(OpenBabel::OBFFBondCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:572:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:535:29: note: ‘bondcalc’ declared here
  535 |     OBFFBondCalculationGaff bondcalc;
      |                             ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGaff::OBFFBondCalculationGaff(OpenBabel::OBFFBondCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:31:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGaff>::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGaff> >::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(std::allocator<OpenBabel::OBFFBondCalculationGaff>&, OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGaff, std::allocator<OpenBabel::OBFFBondCalculationGaff> >::push_back(OpenBabel::OBFFBondCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:587:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:535:29: note: ‘bondcalc’ declared here
  535 |     OBFFBondCalculationGaff bondcalc;
      |                             ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGaff::OBFFBondCalculationGaff(OpenBabel::OBFFBondCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:31:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGaff>::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGaff> >::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(std::allocator<OpenBabel::OBFFBondCalculationGaff>&, OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGaff, std::allocator<OpenBabel::OBFFBondCalculationGaff> >::push_back(OpenBabel::OBFFBondCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:587:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:535:29: note: ‘bondcalc’ declared here
  535 |     OBFFBondCalculationGaff bondcalc;
      |                             ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:637:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:637:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:637:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:653:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:653:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:653:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGaff::OBFFVDWCalculationGaff(OpenBabel::OBFFVDWCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:63:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGaff>::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(std::allocator<OpenBabel::OBFFVDWCalculationGaff>&, OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGaff, std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::push_back(OpenBabel::OBFFVDWCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1003:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:908:28: note: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ was declared here
  908 |     OBFFVDWCalculationGaff vdwcalc;
      |                            ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGaff::OBFFVDWCalculationGaff(OpenBabel::OBFFVDWCalculationGaff const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGaff>::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(std::allocator<OpenBabel::OBFFVDWCalculationGaff>&, OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGaff, std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::push_back(OpenBabel::OBFFVDWCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1003:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:63:9: warning: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGaff *)&vdwcalc + 104B]’ may be used uninitialized [-Wmaybe-uninitialized]
   63 |   class OBFFVDWCalculationGaff : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:908:28: note: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGaff *)&vdwcalc + 104B]’ was declared here
  908 |     OBFFVDWCalculationGaff vdwcalc;
      |                            ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGaff::OBFFVDWCalculationGaff(OpenBabel::OBFFVDWCalculationGaff const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGaff>::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(std::allocator<OpenBabel::OBFFVDWCalculationGaff>&, OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGaff, std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::push_back(OpenBabel::OBFFVDWCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1003:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:63:9: warning: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGaff *)&vdwcalc + 105B]’ may be used uninitialized [-Wmaybe-uninitialized]
   63 |   class OBFFVDWCalculationGaff : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:908:28: note: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGaff *)&vdwcalc + 105B]’ was declared here
  908 |     OBFFVDWCalculationGaff vdwcalc;
      |                            ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGaff::OBFFVDWCalculationGaff(OpenBabel::OBFFVDWCalculationGaff const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGaff>::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(std::allocator<OpenBabel::OBFFVDWCalculationGaff>&, OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGaff, std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::push_back(OpenBabel::OBFFVDWCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1003:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:63:9: warning: ‘MEM[(const struct OBFFVDWCalculationGaff &)&vdwcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   63 |   class OBFFVDWCalculationGaff : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:908:28: note: ‘MEM[(const struct OBFFVDWCalculationGaff &)&vdwcalc].rab’ was declared here
  908 |     OBFFVDWCalculationGaff vdwcalc;
      |                            ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationGaff::OBFFElectrostaticCalculationGaff(OpenBabel::OBFFElectrostaticCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:72:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationGaff>::construct<OpenBabel::OBFFElectrostaticCalculationGaff, OpenBabel::OBFFElectrostaticCalculationGaff const&>(OpenBabel::OBFFElectrostaticCalculationGaff*, OpenBabel::OBFFElectrostaticCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff> >::construct<OpenBabel::OBFFElectrostaticCalculationGaff, OpenBabel::OBFFElectrostaticCalculationGaff const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff>&, OpenBabel::OBFFElectrostaticCalculationGaff*, OpenBabel::OBFFElectrostaticCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationGaff, std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff> >::push_back(OpenBabel::OBFFElectrostaticCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1054:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1012:38: note: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ was declared here
 1012 |     OBFFElectrostaticCalculationGaff elecalc;
      |                                      ^~~~~~~
In member function ‘OpenBabel::OBFFElectrostaticCalculationGaff::OBFFElectrostaticCalculationGaff(OpenBabel::OBFFElectrostaticCalculationGaff const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationGaff>::construct<OpenBabel::OBFFElectrostaticCalculationGaff, OpenBabel::OBFFElectrostaticCalculationGaff const&>(OpenBabel::OBFFElectrostaticCalculationGaff*, OpenBabel::OBFFElectrostaticCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff> >::construct<OpenBabel::OBFFElectrostaticCalculationGaff, OpenBabel::OBFFElectrostaticCalculationGaff const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff>&, OpenBabel::OBFFElectrostaticCalculationGaff*, OpenBabel::OBFFElectrostaticCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationGaff, std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff> >::push_back(OpenBabel::OBFFElectrostaticCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1054:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:72:9: warning: ‘MEM[(const struct OBFFElectrostaticCalculationGaff &)&elecalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   72 |   class OBFFElectrostaticCalculationGaff : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1012:38: note: ‘MEM[(const struct OBFFElectrostaticCalculationGaff &)&elecalc].rab’ was declared here
 1012 |     OBFFElectrostaticCalculationGaff elecalc;
      |                                      ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 75%] Building CXX object test/CMakeFiles/test_runner.dir/aliastest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/aliastest.cpp.o -MF CMakeFiles/test_runner.dir/aliastest.cpp.o.d -o CMakeFiles/test_runner.dir/aliastest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aliastest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aliastest.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aliastest.cpp: In member function ‘void AliasTestExample::test()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aliastest.cpp:52:18: warning: unused variable ‘ad’ [-Wunused-variable]
   52 |       AliasData* ad = nullptr;
      |                  ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 50%] Building CXX object src/formats/CMakeFiles/mdffformat.dir/mdffformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmdffformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mdffformat.dir/mdffformat.cpp.o -MF CMakeFiles/mdffformat.dir/mdffformat.cpp.o.d -o CMakeFiles/mdffformat.dir/mdffformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp: In member function ‘virtual bool OpenBabel::MDFFFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:249:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::atm_t_prop>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  249 |             for(int i = 0; i < atom_t_prop.size(); i++)
      |                            ~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:270:33: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  270 |       for(unsigned int j = 0; j < atom_t_prop[i].num_of_atoms; j++)
      |                               ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp: In member function ‘bool OpenBabel::aindx::operator<(const OpenBabel::aindx&) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:329:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  329 |       for(int i = 0; i < vs.size(); i++)
      |                      ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp: In member function ‘virtual bool OpenBabel::MDFFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:388:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  388 |       for(int i = 0; i < vs.size(); i++)
      |                      ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:443:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::pair<std::__cxx11::basic_string<char>, unsigned int> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  443 |     for (int i = 0; i < atypes_def.size(); i++)
      |                     ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:450:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::pair<std::__cxx11::basic_string<char>, unsigned int> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  450 |     for (int i = 0; i < atypes_def.size(); i++)
      |                     ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:500:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::pair<std::__cxx11::basic_string<char>, unsigned int> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  500 |       for(int j = 0; j < atypes_def.size(); j++)
      |                      ~~^~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 70%] Building CXX object tools/CMakeFiles/obdistgen.dir/obdistgen.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obdistgen.dir/obdistgen.cpp.o -MF CMakeFiles/obdistgen.dir/obdistgen.cpp.o.d -o CMakeFiles/obdistgen.dir/obdistgen.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:214,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/distgeom.h:34,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp:31:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::pload(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1671:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1671 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:172:
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::ploadu(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1716:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1716 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp: In function ‘int main(int, char**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp:108:34: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  108 |       for (unsigned int n = 0; n < mol.NumConformers();++n)
      |                                ~~^~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 70%] Building CXX object tools/CMakeFiles/obrms.dir/obrms.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obrms.dir/obrms.cpp.o -MF CMakeFiles/obrms.dir/obrms.cpp.o.d -o CMakeFiles/obrms.dir/obrms.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp:31:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp: In function ‘int main(int, char**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp:219:14: warning: unused variable ‘help’ [-Wunused-variable]
  219 |         bool help = false;
      |              ^~~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/png2format.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/png2format.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/png2format.so CMakeFiles/png2format.dir/png2format.cpp.o CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/roundtrip.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/roundtrip.dir/link.d CMakeFiles/roundtrip.dir/roundtrip.cpp.o -o ../bin/roundtrip  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obfit.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obfit.dir/link.d CMakeFiles/obfit.dir/obfit.cpp.o -o ../bin/obfit  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obfitall.dir/link.d CMakeFiles/obfitall.dir/obfitall.cpp.o -o ../bin/obfitall  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obprobe.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obprobe.dir/link.d CMakeFiles/obprobe.dir/obprobe.cpp.o -o ../bin/obprobe  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrotamer.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obrotamer.dir/link.d CMakeFiles/obrotamer.dir/obrotamer.cpp.o -o ../bin/obrotamer  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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[ 80%] Building CXX object test/CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o -MF CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o.d -o CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonconsistenttest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonconsistenttest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/multicmltest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/multicmltest.cpp.o -MF CMakeFiles/test_runner.dir/multicmltest.cpp.o.d -o CMakeFiles/test_runner.dir/multicmltest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/multicmltest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/multicmltest.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/multicmltest.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/vaspformat.dir/vaspformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dvaspformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/vaspformat.dir/vaspformat.cpp.o -MF CMakeFiles/vaspformat.dir/vaspformat.cpp.o.d -o CMakeFiles/vaspformat.dir/vaspformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp: In member function ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:451:17: warning: unused variable ‘freqnum’ [-Wunused-variable]
  451 |             int freqnum = atoi(vs[0].c_str());
      |                 ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:535:35: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = not_equal_to<double>; _Tp = double]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  535 |                       std::bind2nd(std::not_equal_to<double>(), 0.0));
      |                       ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441:
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:589:36: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = divides<double>; _Tp = double]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  589 |                        std::bind2nd(std::divides<double>(), max / 100.0));
      |                        ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp: In member function ‘virtual bool OpenBabel::VASPFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:668:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBAtom*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  668 |     for(int i = 0; i < atoms_sorted.size(); i++)
      |                    ~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp: In member function ‘OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:410:21: warning: ‘fermi’ may be used uninitialized [-Wmaybe-uninitialized]
  410 |         dos->SetData(fermi, energies, densities, integration);
      |         ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:392:14: note: ‘fermi’ was declared here
  392 |       double fermi;
      |              ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:556:14: warning: ‘enthalpy_eV’ may be used uninitialized [-Wmaybe-uninitialized]
  556 |       double en_kcal_per_mole = enthalpy_eV * EV_TO_KCAL_PER_MOL;
      |              ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:171:12: note: ‘enthalpy_eV’ was declared here
  171 |     double enthalpy_eV, pv_eV;
      |            ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:557:14: warning: ‘pv_eV’ may be used uninitialized [-Wmaybe-uninitialized]
  557 |       double pv_kcal_per_mole = pv_eV * EV_TO_KCAL_PER_MOL;
      |              ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:171:25: note: ‘pv_eV’ was declared here
  171 |     double enthalpy_eV, pv_eV;
      |                         ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 84%] Building CXX object test/CMakeFiles/test_runner.dir/implicitHtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/implicitHtest.cpp.o -MF CMakeFiles/test_runner.dir/implicitHtest.cpp.o.d -o CMakeFiles/test_runner.dir/implicitHtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/implicitHtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/implicitHtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 79%] Building CXX object test/CMakeFiles/test_runner.dir/automorphismtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/automorphismtest.cpp.o -MF CMakeFiles/test_runner.dir/automorphismtest.cpp.o.d -o CMakeFiles/test_runner.dir/automorphismtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/automorphismtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/automorphismtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/automorphismtest.cpp: In function ‘bool doAutomorphismTest(OpenBabel::OBMol&, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/automorphismtest.cpp:15:20: warning: comparison of integer expressions of different signedness: ‘std::vector<std::vector<std::pair<unsigned int, unsigned int> > >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
   15 |   return (G.size() == numAutomorphisms);
      |           ~~~~~~~~~^~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 81%] Building CXX object test/CMakeFiles/test_runner.dir/canonstabletest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/canonstabletest.cpp.o -MF CMakeFiles/test_runner.dir/canonstabletest.cpp.o.d -o CMakeFiles/test_runner.dir/canonstabletest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonstabletest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonstabletest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 50%] Building CXX object src/formats/CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmmcifformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o -MF CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o.d -o CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mmcifformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mmcifformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 80%] Building CXX object test/CMakeFiles/test_runner.dir/buildertest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/buildertest.cpp.o -MF CMakeFiles/test_runner.dir/buildertest.cpp.o.d -o CMakeFiles/test_runner.dir/buildertest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/buildertest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/buildertest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/buildertest.cpp:15:21: warning: ‘failed’ defined but not used [-Wunused-variable]
   15 | static unsigned int failed = 0;
      |                     ^~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 80%] Building CXX object test/CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o -MF CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o.d -o CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonfragmenttest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonfragmenttest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/smileyformat.dir/smileyformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dsmileyformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/smileyformat.dir/smileyformat.cpp.o -MF CMakeFiles/smileyformat.dir/smileyformat.cpp.o.d -o CMakeFiles/smileyformat.dir/smileyformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp: In member function ‘void OpenBabel::OpenBabelCallback::setChiral(int, Smiley::Chirality, const std::vector<int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘NotChiral’ not handled in switch [-Wswitch]
  158 |       switch (chirality) {
      |              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TH1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TH2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘AL1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘AL2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘SP1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘SP2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘SP3’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB3’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB4’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB5’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB6’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB7’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB8’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB9’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB10’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB11’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB12’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB13’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB14’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB15’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB16’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB17’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB18’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB19’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB20’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH3’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH4’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH5’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH6’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH7’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH8’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH9’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH10’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH11’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH12’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH13’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH14’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH15’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH16’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH17’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH18’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH19’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH20’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH21’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH22’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH23’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH24’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH25’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH26’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH27’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH28’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH29’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH30’ not handled in switch [-Wswitch]
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h: In instantiation of ‘void Smiley::Parser<Callback>::processStereochemistry() [with Callback = OpenBabel::OpenBabelCallback]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2707:9:   required from ‘void Smiley::Parser<Callback>::parse(const std::string&) [with Callback = OpenBabel::OpenBabelCallback; std::string = std::__cxx11::basic_string<char>]’
 2707 |         processStereochemistry();
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:370:19:   required from here
  370 |       parser.parse(smiles);
      |       ~~~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2642:43: warning: comparison of integer expressions of different signedness: ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 2642 |           if (m_chiralInfo[i].nbrs.size() != expectedValence && m_exceptions & InvalidChiralValence)
      |               ~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h: In instantiation of ‘Smiley::Parser<Callback>::RingBondInfo::RingBondInfo(int, int, bool, bool, bool, std::size_t) [with Callback = OpenBabel::OpenBabelCallback; std::size_t = long unsigned int]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2409:41:   required from ‘void Smiley::Parser<Callback>::processRingBond(int, std::size_t) [with Callback = OpenBabel::OpenBabelCallback; std::size_t = long unsigned int]’
 2409 |           m_ringBonds[m_prev].push_back(RingBondInfo(rnum, m_bondOrder, m_isUp, m_isDown, m_explicitBond, pos));
      |                                         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2429:11:   required from ‘void Smiley::Parser<Callback>::parseRingBond() [with Callback = OpenBabel::OpenBabelCallback]’
 2429 |           processRingBond(m_str[m_pos] - '0', m_pos);
      |           ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2507:13:   required from ‘void Smiley::Parser<Callback>::parseChain() [with Callback = OpenBabel::OpenBabelCallback]’
 2507 |             parseRingBond();
      |             ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2698:9:   required from ‘void Smiley::Parser<Callback>::parse(const std::string&) [with Callback = OpenBabel::OpenBabelCallback; std::string = std::__cxx11::basic_string<char>]’
 2698 |         parseChain();
      |         ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:370:19:   required from here
  370 |       parser.parse(smiles);
      |       ~~~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:986:14: warning: ‘Smiley::Parser<OpenBabel::OpenBabelCallback>::RingBondInfo::isExplicit’ will be initialized after [-Wreorder]
  986 |         bool isExplicit;
      |              ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:981:21: warning:   ‘std::size_t Smiley::Parser<OpenBabel::OpenBabelCallback>::RingBondInfo::pos’ [-Wreorder]
  981 |         std::size_t pos;
      |                     ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:974:9: warning:   when initialized here [-Wreorder]
  974 |         RingBondInfo(int number_, int order_, bool isUp_, bool isDown_,
      |         ^~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 88%] Linking CXX executable ../bin/obdistgen
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obdistgen.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obdistgen.dir/link.d CMakeFiles/obdistgen.dir/obdistgen.cpp.o -o ../bin/obdistgen  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 70%] Building CXX object tools/CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -MF CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o.d -o CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obspectrophore.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obspectrophore.cpp:10:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obspectrophore.cpp:1:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 81%] Building CXX object test/CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o -MF CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o.d -o CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/carspacegrouptest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/carspacegrouptest.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 91%] Built target obdistgen
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 58%] Building CXX object src/formats/CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemdrawcdx_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o -MF CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o.d -o CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp: In member function ‘bool OpenBabel::ChemDrawBinaryXFormat::DoReaction(OpenBabel::CDXReader&, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:338:25: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  338 |       for(unsigned i=0;i<cdxr.GetLen()/4;++i)//for each reactant id
      |                        ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:352:25: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  352 |       for(unsigned i=0;i<cdxr.GetLen()/4;++i)//for each product id
      |                        ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp: In member function ‘bool OpenBabel::ChemDrawBinaryXFormat::DoFragment(OpenBabel::CDXReader&, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:449:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  449 |   for(int idx=1; idx<=pmol->NumAtoms();++idx)
      |                  ~~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp: In member function ‘bool OpenBabel::ChemDrawBinaryXFormat::DoFragmentImpl(OpenBabel::CDXReader&, OpenBabel::OBMol*, std::map<int, unsigned int>&, std::map<OpenBabel::OBBond*, OpenBabel::OBStereo::BondDirection>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:477:27: warning: variable ‘hasElement’ set but not used [-Wunused-but-set-variable]
  477 |       bool isAlias=false, hasElement=false;
      |                           ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:621:17: warning: ‘bgnIdx’ may be used uninitialized [-Wmaybe-uninitialized]
  621 |       if(!order || !bgnIdx || !endIdx)
      |          ~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:580:20: note: ‘bgnIdx’ was declared here
  580 |       int order=1, bgnIdx, endIdx ;
      |                    ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:621:28: warning: ‘endIdx’ may be used uninitialized [-Wmaybe-uninitialized]
  621 |       if(!order || !bgnIdx || !endIdx)
      |          ~~~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:580:28: note: ‘endIdx’ was declared here
  580 |       int order=1, bgnIdx, endIdx ;
      |                            ^~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In instantiation of ‘void OpenBabel::OBFFVDWCalculationUFF::Compute() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:478:37:   required from ‘double OpenBabel::OBForceFieldUFF::E_VDW() [with bool <anonymous> = true]’
  478 |       i->template Compute<gradients>();
      |       ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:193:37:   required from here
  193 |       return gradients ? E_VDW<true>() : E_VDW<false>();
      |                          ~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:431:14: warning: unused variable ‘ab’ [-Wunused-variable]
  431 |       double ab[3];
      |              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In instantiation of ‘void OpenBabel::OBFFVDWCalculationUFF::Compute() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:478:37:   required from ‘double OpenBabel::OBForceFieldUFF::E_VDW() [with bool <anonymous> = false]’
  478 |       i->template Compute<gradients>();
      |       ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:193:54:   required from here
  193 |       return gradients ? E_VDW<true>() : E_VDW<false>();
      |                                          ~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:431:14: warning: unused variable ‘ab’ [-Wunused-variable]
  431 |       double ab[3];
      |              ^~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ was declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘elecalc’ declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘elecalc’ declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9: warning: ‘MEM[(const struct OBFFElectrostaticCalculationUFF &)&elecalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   82 |   class OBFFElectrostaticCalculationUFF : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘MEM[(const struct OBFFElectrostaticCalculationUFF &)&elecalc].rab’ was declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘elecalc’ declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘elecalc’ declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].energy’ was declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘bondcalc’ declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘bondcalc’ declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9: warning: ‘MEM[(const struct OBFFBondCalculationUFF &)&bondcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   30 |   class OBFFBondCalculationUFF : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘MEM[(const struct OBFFBondCalculationUFF &)&bondcalc].rab’ was declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9: warning: ‘MEM[(const struct OBFFBondCalculationUFF &)&bondcalc].delta’ may be used uninitialized [-Wmaybe-uninitialized]
   30 |   class OBFFBondCalculationUFF : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘MEM[(const struct OBFFBondCalculationUFF &)&bondcalc].delta’ was declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘bondcalc’ declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘bondcalc’ declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].energy’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].at’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].at’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM <unsigned char> [(struct OBFFAngleCalculationUFF *)&anglecalc + 156B]’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM <unsigned char> [(struct OBFFAngleCalculationUFF *)&anglecalc + 156B]’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].theta’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].theta’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].delta’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].delta’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rij’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rij’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rjk’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rjk’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rik’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rik’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘anglecalc.n’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘anglecalc.n’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/rsmiformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/rsmiformat.so CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 92%] Built target obprop
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 92%] Built target fastsearchformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 92%] Built target nwchemformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 92%] Built target rsmiformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 82%] Building CXX object test/CMakeFiles/test_runner.dir/conversiontest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/conversiontest.cpp.o -MF CMakeFiles/test_runner.dir/conversiontest.cpp.o.d -o CMakeFiles/test_runner.dir/conversiontest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversiontest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversiontest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 85%] Linking CXX executable ../bin/obmm
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obmm.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obmm.dir/link.d CMakeFiles/obmm.dir/obmm.cpp.o -o ../bin/obmm  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 93%] Built target obmm
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 83%] Building CXX object test/CMakeFiles/test_runner.dir/gziptest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/gziptest.cpp.o -MF CMakeFiles/test_runner.dir/gziptest.cpp.o.d -o CMakeFiles/test_runner.dir/gziptest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/gziptest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/gziptest.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/gziptest.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 65%] Linking CXX shared module ../../lib64/pdbformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdbformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pdbformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pdbformat.so CMakeFiles/pdbformat.dir/pdbformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 65%] Linking CXX shared module ../../lib64/inchiformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/inchiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/inchiformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/inchiformat.so CMakeFiles/inchiformat.dir/inchiformat.cpp.o CMakeFiles/inchiformat.dir/getinchi.cpp.o CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 75%] Generating /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts && /usr/bin/swig -perl5 -c++ -small -O -templatereduce -naturalvar -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -o /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp -outdir /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/openbabel-perl.i
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:368: Warning 325: Nested struct not currently supported (StreamState ignored)
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 93%] Built target pdbformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 93%] Built target inchiformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts/CMakeFiles/bindings_perl.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 83%] Building CXX object test/CMakeFiles/test_runner.dir/addhtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/addhtest.cpp.o -MF CMakeFiles/test_runner.dir/addhtest.cpp.o.d -o CMakeFiles/test_runner.dir/addhtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/addhtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/addhtest.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/addhtest.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/atom.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/atom.cpp.o -MF CMakeFiles/test_runner.dir/atom.cpp.o.d -o CMakeFiles/test_runner.dir/atom.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/atom.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/atom.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/atom.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/uniqueidtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/uniqueidtest.cpp.o -MF CMakeFiles/test_runner.dir/uniqueidtest.cpp.o.d -o CMakeFiles/test_runner.dir/uniqueidtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/uniqueidtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/uniqueidtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/bond.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/bond.cpp.o -MF CMakeFiles/test_runner.dir/bond.cpp.o.d -o CMakeFiles/test_runner.dir/bond.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/bond.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/bond.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/bond.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 82%] Building CXX object test/CMakeFiles/test_runner.dir/cistranstest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cistranstest.cpp.o -MF CMakeFiles/test_runner.dir/cistranstest.cpp.o.d -o CMakeFiles/test_runner.dir/cistranstest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cistranstest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cistranstest.cpp:146:3: warning: multi-line comment [-Wcomment]
  146 |   //  / \      |   |      /         / \
      |   ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cistranstest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 77%] Linking CXX shared module ../../lib64/moldenformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldenformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/moldenformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/moldenformat.so CMakeFiles/moldenformat.dir/moldenformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/datatest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/datatest.cpp.o -MF CMakeFiles/test_runner.dir/datatest.cpp.o.d -o CMakeFiles/test_runner.dir/datatest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/datatest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 95%] Built target moldenformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 88%] Linking CXX executable ../bin/obrms
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrms.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obrms.dir/link.d CMakeFiles/obrms.dir/obrms.cpp.o -o ../bin/obrms  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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[ 75%] Linking CXX shared module ../../lib64/lmpdatformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/lmpdatformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/lmpdatformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/lmpdatformat.so CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 95%] Built target obrms
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 70%] Linking CXX shared module ../../lib64/mopacformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mopacformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mopacformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mopacformat.so CMakeFiles/mopacformat.dir/mopacformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 96%] Built target lmpdatformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 86%] Building CXX object test/CMakeFiles/test_runner.dir/squareplanartest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/squareplanartest.cpp.o -MF CMakeFiles/test_runner.dir/squareplanartest.cpp.o.d -o CMakeFiles/test_runner.dir/squareplanartest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/squareplanartest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/squareplanartest.cpp:56:3: warning: multi-line comment [-Wcomment]
   56 |   //  / \      |   |     |/  |      / \
      |   ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/squareplanartest.cpp:99:3: warning: multi-line comment [-Wcomment]
   99 |   //  / \      |   |     |/  |      / \
      |   ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/squareplanartest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 96%] Built target mopacformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/conversion.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/conversion.cpp.o -MF CMakeFiles/test_runner.dir/conversion.cpp.o.d -o CMakeFiles/test_runner.dir/conversion.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversion.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversion.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversion.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/periodictest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/periodictest.cpp.o -MF CMakeFiles/test_runner.dir/periodictest.cpp.o.d -o CMakeFiles/test_runner.dir/periodictest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/periodictest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/periodictest.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h: In instantiation of ‘void ob_compare(T1, T2, const char*, const char*, int, const char*) [with T1 = unsigned int; T2 = int]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/periodictest.cpp:91:3:   required from here
   36 |   ob_compare(a, b, OB_EXPR( a == b ), __FILE__, __LINE__, FUNCTION_SIGNATURE)
      |   ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:22:11: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
   22 |   if (!(a == b))
      |        ~~~^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o -MF CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o.d -o CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetranonplanartest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetranonplanartest.cpp:22:1: warning: multi-line comment [-Wcomment]
   22 | //         \
      | ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetranonplanartest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/aromatest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/aromatest.cpp.o -MF CMakeFiles/test_runner.dir/aromatest.cpp.o.d -o CMakeFiles/test_runner.dir/aromatest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aromatest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aromatest.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aromatest.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/cansmi.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cansmi.cpp.o -MF CMakeFiles/test_runner.dir/cansmi.cpp.o.d -o CMakeFiles/test_runner.dir/cansmi.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cansmi.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cansmi.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cansmi.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 75%] Linking CXX shared module ../../lib64/dlpolyformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/dlpolyformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/dlpolyformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/dlpolyformat.so CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 96%] Built target dlpolyformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 33%] Building CXX object src/formats/CMakeFiles/gamessformat.dir/gamessformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgamessformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gamessformat.dir/gamessformat.cpp.o -MF CMakeFiles/gamessformat.dir/gamessformat.cpp.o.d -o CMakeFiles/gamessformat.dir/gamessformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp: In member function ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:587:38: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  587 |             for (unsigned int i=0; i < modeCount;  ++i) {
      |                                    ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:233:9: warning: variable ‘ndummyatoms’ set but not used [-Wunused-but-set-variable]
  233 |     int ndummyatoms = 0;
      |         ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:540:27: warning: ‘lowFreqModesBegin’ may be used uninitialized [-Wmaybe-uninitialized]
  540 |             if (numIntens < lowFreqModesBegin || numIntens > lowFreqModesEnd)
      |                 ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:244:9: note: ‘lowFreqModesBegin’ was declared here
  244 |     int lowFreqModesBegin;           // the number of the first low frequency mode
      |         ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:540:60: warning: ‘lowFreqModesEnd’ may be used uninitialized [-Wmaybe-uninitialized]
  540 |             if (numIntens < lowFreqModesBegin || numIntens > lowFreqModesEnd)
      |                                                  ~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:245:9: note: ‘lowFreqModesEnd’ was declared here
  245 |     int lowFreqModesEnd;             // the number of the last low frequency mode
      |         ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/internalcoord.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/internalcoord.cpp.o -MF CMakeFiles/test_runner.dir/internalcoord.cpp.o.d -o CMakeFiles/test_runner.dir/internalcoord.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/internalcoord.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/internalcoord.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/internalcoord.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/format.cpp.o -MF CMakeFiles/test_runner.dir/format.cpp.o.d -o CMakeFiles/test_runner.dir/format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/format.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/format.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/format.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 84%] Building CXX object test/CMakeFiles/test_runner.dir/lssrtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/lssrtest.cpp.o -MF CMakeFiles/test_runner.dir/lssrtest.cpp.o.d -o CMakeFiles/test_runner.dir/lssrtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/lssrtest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/lssrtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/lssrtest.cpp: In function ‘bool verifyLSSR(const std::string&, const LSSR&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/lssrtest.cpp:173:8: warning: unused variable ‘fail’ [-Wunused-variable]
  173 |   bool fail = false;
      |        ^~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/isomorphismtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/isomorphismtest.cpp.o -MF CMakeFiles/test_runner.dir/isomorphismtest.cpp.o.d -o CMakeFiles/test_runner.dir/isomorphismtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp:114:3: warning: multi-line comment [-Wcomment]
  114 |   //     /\ /\ /\
      |   ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp:165:3: warning: multi-line comment [-Wcomment]
  165 |   //     /\ /\ /\
      |   ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp:187:3: warning: multi-line comment [-Wcomment]
  187 |   //     /\ /\ /\
      |   ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/rotortest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/rotortest.cpp.o -MF CMakeFiles/test_runner.dir/rotortest.cpp.o.d -o CMakeFiles/test_runner.dir/rotortest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/rotortest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/rotortest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/obtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/obtest.cpp.o -MF CMakeFiles/test_runner.dir/obtest.cpp.o.d -o CMakeFiles/test_runner.dir/obtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o -MF CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o.d -o CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetrahedraltest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetrahedraltest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 83%] Building CXX object test/CMakeFiles/test_runner.dir/graphsymtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/graphsymtest.cpp.o -MF CMakeFiles/test_runner.dir/graphsymtest.cpp.o.d -o CMakeFiles/test_runner.dir/graphsymtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp: In function ‘void countGraphSymClassesTest(const std::string&, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp:110:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  110 |   OB_ASSERT( n == numberOfClasses);
      |              ~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:27:6: note: in definition of macro ‘OB_ASSERT’
   27 |   ( (exp) ? static_cast<void>(0) : report_error(#exp, __FILE__, __LINE__, FUNCTION_SIGNATURE, false) )
      |      ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp:111:9: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  111 |   if (n != numberOfClasses) {
      |       ~~^~~~~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/invalidsmiles.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/invalidsmiles.cpp.o -MF CMakeFiles/test_runner.dir/invalidsmiles.cpp.o.d -o CMakeFiles/test_runner.dir/invalidsmiles.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/invalidsmiles.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/invalidsmiles.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/invalidsmiles.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 79%] Linking CXX shared module ../../lib64/gamessukformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gamessukformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gamessukformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gamessukformat.so CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/formalcharge.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/formalcharge.cpp.o -MF CMakeFiles/test_runner.dir/formalcharge.cpp.o.d -o CMakeFiles/test_runner.dir/formalcharge.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formalcharge.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formalcharge.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formalcharge.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 97%] Built target gamessukformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 78%] Building CXX object src/GUI/CMakeFiles/obgui.dir/stdwx.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/GUI && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/. -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT src/GUI/CMakeFiles/obgui.dir/stdwx.cpp.o -MF CMakeFiles/obgui.dir/stdwx.cpp.o.d -o CMakeFiles/obgui.dir/stdwx.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/stdwx.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./stdwx.h:50,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/stdwx.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./babel.xpm:2:20: warning: ‘sample_xpm’ defined but not used [-Wunused-variable]
    2 | static const char *sample_xpm[] = {
      |                    ^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/charge_mmff94.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/charge_mmff94.cpp.o -MF CMakeFiles/test_runner.dir/charge_mmff94.cpp.o.d -o CMakeFiles/test_runner.dir/charge_mmff94.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_mmff94.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_mmff94.cpp:13:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_mmff94.cpp:10:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/logp_psa.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/logp_psa.cpp.o -MF CMakeFiles/test_runner.dir/logp_psa.cpp.o.d -o CMakeFiles/test_runner.dir/logp_psa.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/logp_psa.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/logp_psa.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/logp_psa.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o -MF CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o.d -o CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_gasteiger.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_gasteiger.cpp:13:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_gasteiger.cpp:10:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/smartsparse.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smartsparse.cpp.o -MF CMakeFiles/test_runner.dir/smartsparse.cpp.o.d -o CMakeFiles/test_runner.dir/smartsparse.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smartsparse.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/invalidsmarts.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/invalidsmarts.cpp.o -MF CMakeFiles/test_runner.dir/invalidsmarts.cpp.o.d -o CMakeFiles/test_runner.dir/invalidsmarts.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/invalidsmarts.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 23%] Building CXX object src/formats/CMakeFiles/mdlformat.dir/mdlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmdlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mdlformat.dir/mdlformat.cpp.o -MF CMakeFiles/mdlformat.dir/mdlformat.cpp.o.d -o CMakeFiles/mdlformat.dir/mdlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h: In function ‘unsigned int MDLValence(unsigned int, int, unsigned int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:51:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   51 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:51:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   51 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:64:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   64 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:64:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   64 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:77:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   77 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:77:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   77 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:90:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   90 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:90:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   90 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:103:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  103 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:103:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  103 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:116:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  116 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:116:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  116 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:119:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  119 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:119:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  119 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:121:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  121 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:121:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  121 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:134:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  134 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:134:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  134 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:137:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  137 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:137:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  137 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:139:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  139 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:139:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  139 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:152:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  152 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:152:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  152 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:155:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  155 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:155:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  155 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:157:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  157 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:157:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  157 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:170:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  170 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:170:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  170 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:173:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  173 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:173:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  173 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:175:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  175 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:175:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  175 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:188:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  188 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:188:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  188 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:191:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  191 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:191:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  191 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:193:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  193 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:193:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  193 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:206:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  206 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:206:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  206 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:209:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  209 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:209:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  209 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:211:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  211 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:211:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  211 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:223:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  223 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:223:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  223 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:226:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  226 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:226:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  226 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:228:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  228 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:228:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  228 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:240:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  240 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:240:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  240 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:243:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  243 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:243:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  243 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:245:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  245 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:245:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  245 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:257:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  257 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:257:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  257 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:260:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  260 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:260:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  260 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:262:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  262 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:262:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  262 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:274:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  274 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:274:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  274 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:277:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  277 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:277:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  277 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:279:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  279 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:279:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  279 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:291:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  291 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:291:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  291 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:294:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  294 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:294:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  294 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:296:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  296 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:296:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  296 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:298:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  298 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:298:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  298 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:310:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  310 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:310:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  310 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:313:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  313 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:313:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  313 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:315:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  315 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:315:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  315 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:317:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  317 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:317:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  317 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:329:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  329 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:329:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  329 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:332:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  332 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:332:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  332 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:334:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  334 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:334:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  334 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:336:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  336 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:336:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  336 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:348:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  348 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:348:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  348 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:351:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  351 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:351:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  351 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:353:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  353 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:353:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  353 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:355:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  355 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:355:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  355 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:367:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  367 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:367:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  367 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:370:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  370 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:370:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  370 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:372:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  372 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:372:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  372 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:374:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  374 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:374:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  374 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:385:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  385 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:385:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  385 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:388:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  388 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:388:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  388 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:390:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  390 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:390:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  390 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:392:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  392 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:392:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  392 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:394:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  394 |               if (val <= 3) return 3;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:394:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  394 |               if (val <= 3) return 3;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h: In function ‘unsigned int HYDValence(unsigned int, int, unsigned int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:416:11: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  416 |   if (val > impval) {
      |       ~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp: In member function ‘bool OpenBabel::MDLFormat::ReadAtomBlock(std::istream&, OpenBabel::OBMol&, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1488:10: warning: unused variable ‘chiralWatch’ [-Wunused-variable]
 1488 |     bool chiralWatch=false;
      |          ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp: In member function ‘OpenBabel::MDLFormat::GetTimeDate[abi:cxx11]()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1709:27: warning: ‘%02d’ directive output may be truncated writing between 2 and 11 bytes into a region of size between 0 and 9 [-Wformat-truncation=]
 1709 |     snprintf(td, 11, "%02d%02d%02d%02d%02d", ts->tm_mon+1, ts->tm_mday,
      |                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1709:22: note: directive argument in the range [-2147483648, 2147483547]
 1709 |     snprintf(td, 11, "%02d%02d%02d%02d%02d", ts->tm_mon+1, ts->tm_mday,
      |                      ^~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/iomanip:47,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:27:
In function ‘snprintf’,
    inlined from ‘OpenBabel::MDLFormat::GetTimeDate[abi:cxx11]()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1709:13:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 11 and 56 bytes into a destination of size 11
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp: In member function ‘OpenBabel::MDLFormat::CisTransFromUpDown(OpenBabel::OBMol*, std::map<OpenBabel::OBBond*, OpenBabel::OBStereo::BondDirection, std::less<OpenBabel::OBBond*>, std::allocator<std::pair<OpenBabel::OBBond* const, OpenBabel::OBStereo::BondDirection> > >*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:2022:7: warning: ‘a1_stereo’ may be used uninitialized [-Wmaybe-uninitialized]
 2022 |       if (a1_stereo == a2_stereo)
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1987:31: note: ‘a1_stereo’ was declared here
 1987 |       OBStereo::BondDirection a1_stereo, a2_stereo;
      |                               ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:2022:7: warning: ‘a2_stereo’ may be used uninitialized [-Wmaybe-uninitialized]
 2022 |       if (a1_stereo == a2_stereo)
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1987:42: note: ‘a2_stereo’ was declared here
 1987 |       OBStereo::BondDirection a1_stereo, a2_stereo;
      |                                          ^~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/ffghemical.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffghemical.cpp.o -MF CMakeFiles/test_runner.dir/ffghemical.cpp.o.d -o CMakeFiles/test_runner.dir/ffghemical.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffghemical.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffghemical.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffghemical.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/iterators.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/iterators.cpp.o -MF CMakeFiles/test_runner.dir/iterators.cpp.o.d -o CMakeFiles/test_runner.dir/iterators.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/iterators.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/iterators.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/iterators.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/ffgaff.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffgaff.cpp.o -MF CMakeFiles/test_runner.dir/ffgaff.cpp.o.d -o CMakeFiles/test_runner.dir/ffgaff.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffgaff.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffgaff.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffgaff.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/ffuff.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffuff.cpp.o -MF CMakeFiles/test_runner.dir/ffuff.cpp.o.d -o CMakeFiles/test_runner.dir/ffuff.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffuff.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffuff.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffuff.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/pdbreadfile.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/pdbreadfile.cpp.o -MF CMakeFiles/test_runner.dir/pdbreadfile.cpp.o.d -o CMakeFiles/test_runner.dir/pdbreadfile.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/pdbreadfile.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/pdbreadfile.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/pdbreadfile.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/formula.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/formula.cpp.o -MF CMakeFiles/test_runner.dir/formula.cpp.o.d -o CMakeFiles/test_runner.dir/formula.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formula.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formula.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formula.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 74%] Generating /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp, /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel.py
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts && /usr/bin/swig -python -c++ -small -O -templatereduce -naturalvar -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -o /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp -DHAVE_EIGEN -DHAVE_EIGEN3 -outdir /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/openbabel-python.i
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:368: Warning 325: Nested struct not currently supported (StreamState ignored)
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/isomorphism.h:160: Warning 325: Nested class not currently supported (Functor ignored)
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/spectrophore.h:571: Warning 312: Nested struct not currently supported (ignored).
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/spectrophore.h:578: Warning 312: Nested struct not currently supported (ignored).
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts/CMakeFiles/bindings_python.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/cmlreadfile.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cmlreadfile.cpp.o -MF CMakeFiles/test_runner.dir/cmlreadfile.cpp.o.d -o CMakeFiles/test_runner.dir/cmlreadfile.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cmlreadfile.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cmlreadfile.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cmlreadfile.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 75%] Generating /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts && /usr/bin/swig -ruby -c++ -small -O -templatereduce -naturalvar -autorename -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -o /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.txt /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/openbabel-ruby.i
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts && sed -e 's/rb_define_module("Openbabel")/rb_define_module("OpenBabel")/' -e's/void Init_OpenBabel/void Init_openbabel/' </builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.txt >/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts && /usr/bin/cmake -E remove /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.txt
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:368: Warning 325: Nested struct not currently supported (StreamState ignored)
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/isomorphism.h:160: Warning 325: Nested class not currently supported (Functor ignored)
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 64%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o -MF CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o.d -o CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp: In member function ‘virtual bool OpenBabel::CMLReactFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:520:12: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  520 |   for(i=0;i<pReact->NumReactants();i++)
      |           ~^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:542:12: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  542 |   for(i=0;i<pReact->NumProducts();i++)
      |           ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp: In member function ‘bool OpenBabel::CMLReactFormat::WriteRateData(OpenBabel::OBReaction*, xmlChar*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:706:9: warning: enumeration value ‘ARRHENIUS’ not handled in switch [-Wswitch]
  706 |   switch(pRD->ReactionType)
      |         ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:734:9: warning: enumeration value ‘ARRHENIUS’ not handled in switch [-Wswitch]
  734 |   switch(pRD->ReactionType)
      |         ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:734:9: warning: enumeration value ‘SRI’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp: In member function ‘void OpenBabel::CMLReactFormat::WriteMetadataList(OpenBabel::OBReaction&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:773:26: warning: unused variable ‘C_TITLE’ [-Wunused-variable]
  773 |     static const xmlChar C_TITLE[]        = "title";
      |                          ^~~~~~~
In file included from /usr/include/c++/15/string:56,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:45:
In member function ‘std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >::_M_check(unsigned long, char const*) const’,
    inlined from ‘std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >::substr(unsigned long, unsigned long) const’ at /usr/include/c++/15/bits/basic_string.h:3238:52,
    inlined from ‘OpenBabel::CMLReactFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:616:24:
/usr/include/c++/15/bits/basic_string.h:398:9: warning: ‘mollistPos’ may be used uninitialized [-Wmaybe-uninitialized]
  398 |         if (__pos > this->size())
      |         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp: In member function ‘OpenBabel::CMLReactFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:607:38: note: ‘mollistPos’ was declared here
  607 |       string::size_type reaclistPos, mollistPos, footerPos;
      |                                      ^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/mol.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/mol.cpp.o -MF CMakeFiles/test_runner.dir/mol.cpp.o.d -o CMakeFiles/test_runner.dir/mol.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/mol.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/mol.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/mol.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 74%] Building CXX object test/CMakeFiles/test_runner.dir/aligntest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/aligntest.cpp.o -MF CMakeFiles/test_runner.dir/aligntest.cpp.o.d -o CMakeFiles/test_runner.dir/aligntest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aligntest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aligntest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:214,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/align.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aligntest.cpp:4:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::pload(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1671:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1671 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:172:
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::ploadu(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1716:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1716 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts/CMakeFiles/bindings_ruby.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_ruby.dir/build.make scripts/CMakeFiles/bindings_ruby.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/smilesmatch.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smilesmatch.cpp.o -MF CMakeFiles/test_runner.dir/smilesmatch.cpp.o.d -o CMakeFiles/test_runner.dir/smilesmatch.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilesmatch.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 82%] Building CXX object test/CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o -MF CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o.d -o CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cifspacegrouptest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilesmatch.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilesmatch.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cifspacegrouptest.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/tetraplanartest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tetraplanartest.cpp.o -MF CMakeFiles/test_runner.dir/tetraplanartest.cpp.o.d -o CMakeFiles/test_runner.dir/tetraplanartest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetraplanartest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetraplanartest.cpp:11:1: warning: multi-line comment [-Wcomment]
   11 | //         \
      | ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetraplanartest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 86%] Building CXX object test/CMakeFiles/test_runner.dir/spectrophoretest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/spectrophoretest.cpp.o -MF CMakeFiles/test_runner.dir/spectrophoretest.cpp.o.d -o CMakeFiles/test_runner.dir/spectrophoretest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/spectrophoretest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/spectrophoretest.cpp:3:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/spectrophoretest.cpp:1:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 91%] Linking CXX executable ../bin/obspectrophore
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obspectrophore.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obspectrophore.dir/link.d CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -o ../bin/obspectrophore  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 98%] Built target obspectrophore
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/math.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/math.cpp.o -MF CMakeFiles/test_runner.dir/math.cpp.o.d -o CMakeFiles/test_runner.dir/math.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/math.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/math.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/../src/rand.cpp:428:15: warning: ‘void OpenBabel::GenerateSequence(unsigned int, unsigned int, unsigned int, unsigned int)’ defined but not used [-Wunused-function]
  428 |   static void GenerateSequence( unsigned int p, unsigned int m,
      |               ^~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 53%] Building CXX object src/formats/CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpdbqtformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o -MF CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o.d -o CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In function ‘bool OpenBabel::OutputTree(OBConversion*, OBMol&, std::ostream&, std::map<unsigned int, branch>&, unsigned int, bool, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:581:20: warning: unused variable ‘child’ [-Wunused-variable]
  581 |       unsigned int child=i;
      |                    ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In function ‘bool OpenBabel::Separate_preserve_charges(OBMol&, std::vector<OBMol>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:797:9: warning: unused variable ‘fragments’ [-Wunused-variable]
  797 |     int fragments = 0;
      |         ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:750:16: warning: ‘unsigned int OpenBabel::AtomsSoFar(const std::map<unsigned int, branch>&, unsigned int)’ defined but not used [-Wunused-function]
  750 |   unsigned int AtomsSoFar(const map <unsigned int, branch> & tree, unsigned int depth)
      |                ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In function ‘OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::basic_ostream<char, std::char_traits<char> >&, unsigned int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:345:52: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
  345 |       snprintf(type_name, sizeof(type_name), " %-3s", tmp);
      |                                                    ^
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::basic_ostream<char, std::char_traits<char> >&, unsigned int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:345:15:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In function ‘OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::basic_ostream<char, std::char_traits<char> >&, unsigned int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:363:60: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
  363 |           snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
      |                                                            ^
In function ‘snprintf’,
    inlined from ‘OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::basic_ostream<char, std::char_traits<char> >&, unsigned int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:363:19:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In member function ‘OpenBabel::PDBQTFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:923:22: warning: ‘strncpy’ specified bound 10 equals destination size [-Wstringop-truncation]
  923 |               strncpy(type_name, OBElements::GetSymbol(rotBondTable[rotBondId][bondAtomNum]->GetAtomicNum()), sizeof(type_name));
      |                      ^
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/residue.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/residue.cpp.o -MF CMakeFiles/test_runner.dir/residue.cpp.o.d -o CMakeFiles/test_runner.dir/residue.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/residue.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/residue.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/residue.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/ffmmff94.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffmmff94.cpp.o -MF CMakeFiles/test_runner.dir/ffmmff94.cpp.o.d -o CMakeFiles/test_runner.dir/ffmmff94.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffmmff94.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffmmff94.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffmmff94.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 84%] Linking CXX shared module ../../lib64/lpmdformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/lpmdformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/lpmdformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/lpmdformat.so CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 98%] Built target lpmdformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 39%] Building CXX object src/formats/CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMCDLformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o -MF CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o.d -o CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘void OpenBabel::MCDLFormat::solve(int, int (*)[4], int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:283:9: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  283 |         if (jflag)
      |         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:287:13: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  287 |             nt = 1;
      |             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘void OpenBabel::MCDLFormat::setMCDL(std::string, OpenBabel::OBMol*, std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:1267:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1267 |     if (nPrev == acount) {
      |         ~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘int OpenBabel::MCDLFormat::indexOf(std::string, std::string, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:1385:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘const std::__cxx11::basic_string<char>::size_type’ {aka ‘const long unsigned int’} [-Wsign-compare]
 1385 |     if (result == string::npos) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:1386:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1386 |     if (result >= instring.length()) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘int OpenBabel::MCDLFormat::lastIndexOf(std::string, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:1399:11: warning: comparison of integer expressions of different signedness: ‘int’ and ‘const std::__cxx11::basic_string<char>::size_type’ {aka ‘const long unsigned int’} [-Wsign-compare]
 1399 |     if (n == string::npos)
      |         ~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘OpenBabel::MCDLFormat::solve(int, int (*) [4], int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:390:24: warning: ‘numdups’ may be used uninitialized [-Wmaybe-uninitialized]
  390 |             for (j=0; j<numdups; j++)
      |                       ~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:242:10: note: ‘numdups’ was declared here
  242 |     int  numdups, dupfrag, jump;
      |          ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:242:28: warning: ‘jump’ may be used uninitialized [-Wmaybe-uninitialized]
  242 |     int  numdups, dupfrag, jump;
      |                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:398:17: warning: ‘dupfrag’ may be used uninitialized [-Wmaybe-uninitialized]
  398 |                 if (ix[i] > dupfrag)
      |                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:242:19: note: ‘dupfrag’ was declared here
  242 |     int  numdups, dupfrag, jump;
      |                   ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 34%] Building CXX object src/formats/CMakeFiles/gaussformat.dir/gaussformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgaussformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gaussformat.dir/gaussformat.cpp.o -MF CMakeFiles/gaussformat.dir/gaussformat.cpp.o.d -o CMakeFiles/gaussformat.dir/gaussformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/data.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp: In function ‘void OpenBabel::add_unique_pairdata_to_mol(OBMol*, std::string, std::string, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:285:19: warning: comparison of integer expressions of different signedness: ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  285 |     if (vs.size() >= start)
      |         ~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:288:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  288 |         for(i=start+1; (i<vs.size()); i++)
      |                         ~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp: In function ‘int OpenBabel::extract_thermo(OBMol*, std::string, double, double, double, double, double, double, int, std::vector<double>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:339:17: warning: unused variable ‘pg’ [-Wunused-variable]
  339 |     const char *pg = obPG.IdentifyPointGroup();
      |                 ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/phmodel.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/phmodel.cpp.o -MF CMakeFiles/test_runner.dir/phmodel.cpp.o.d -o CMakeFiles/test_runner.dir/phmodel.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/phmodel.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/phmodel.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/phmodel.cpp:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/smartstest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smartstest.cpp.o -MF CMakeFiles/test_runner.dir/smartstest.cpp.o.d -o CMakeFiles/test_runner.dir/smartstest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smartstest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 92%] Linking CXX shared module ../../lib64/chemdrawcdx.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdrawcdx.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chemdrawcdx.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemdrawcdx.so CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smartstest.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smartstest.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/ringtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ringtest.cpp.o -MF CMakeFiles/test_runner.dir/ringtest.cpp.o.d -o CMakeFiles/test_runner.dir/ringtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ringtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ringtest.cpp:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ringtest.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 98%] Built target chemdrawcdx
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/tautomertest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tautomertest.cpp.o -MF CMakeFiles/test_runner.dir/tautomertest.cpp.o.d -o CMakeFiles/test_runner.dir/tautomertest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tautomertest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tautomertest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 21%] Building CXX object src/formats/CMakeFiles/smilesformat.dir/smilesformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dsmilesformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/smilesformat.dir/smilesformat.cpp.o -MF CMakeFiles/smilesformat.dir/smilesformat.cpp.o.d -o CMakeFiles/smilesformat.dir/smilesformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In constructor ‘OpenBabel::OBSmilesParser::OBSmilesParser(bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:291:10: warning: ‘OpenBabel::OBSmilesParser::_preserve_aromaticity’ will be initialized after [-Wreorder]
  291 |     bool _preserve_aromaticity;
      |          ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:289:9: warning:   ‘int OpenBabel::OBSmilesParser::_rxnrole’ [-Wreorder]
  289 |     int _rxnrole;
      |         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:318:5: warning:   when initialized here [-Wreorder]
  318 |     OBSmilesParser(bool preserve_aromaticity=false): _preserve_aromaticity(preserve_aromaticity), _rxnrole(1) { }
      |     ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘bool OpenBabel::OBSmilesParser::ParseSmiles(OpenBabel::OBMol&, const std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:655:15: warning: variable ‘atom’ set but not used [-Wunused-but-set-variable]
  655 |       OBAtom* atom;
      |               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘int OpenBabel::OBSmilesParser::NumConnections(OpenBabel::OBAtom*, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2200:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2200 |     if (idx-1 < _hcount.size() && _hcount[idx-1] > 0)
      |         ~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘bool OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*>&, std::vector<unsigned int>&, std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2685:10: warning: variable ‘symbol’ set but not used [-Wunused-but-set-variable]
 2685 |     char symbol[10];
      |          ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2689:10: warning: unused variable ‘normalValence’ [-Wunused-variable]
 2689 |     bool normalValence = true;
      |          ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2690:10: warning: unused variable ‘writeExplicitHydrogen’ [-Wunused-variable]
 2690 |     bool writeExplicitHydrogen = false;
      |          ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘bool OpenBabel::OBMol2Cansmi::BuildCanonTree(OpenBabel::OBMol&, OpenBabel::OBBitVec&, std::vector<unsigned int>&, OpenBabel::OBCanSmiNode*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3139:22: warning: unused variable ‘bond_order’ [-Wunused-variable]
 3139 |         unsigned int bond_order = bond->GetBondOrder();
      |                      ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3134:20: warning: unused variable ‘nbr_bond_order’ [-Wunused-variable]
 3134 |       unsigned int nbr_bond_order = nbr_bond->GetBondOrder();
      |                    ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘std::vector<OpenBabel::OBBondClosureInfo> OpenBabel::OBMol2Cansmi::GetCanonClosureDigits(OpenBabel::OBAtom*, OpenBabel::OBBitVec&, std::vector<unsigned int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3286:11: warning: unused variable ‘bo’ [-Wunused-variable]
 3286 |       int bo = (bond1->IsAromatic())? 1 : bond1->GetBondOrder();  // CJ: why was this line added?  bo is never used?
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘void OpenBabel::OBMol2Cansmi::CreateFragCansmiString(OpenBabel::OBMol&, OpenBabel::OBBitVec&, std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3899:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3899 |         for (int i=0; i<atom_order.size(); ++i)
      |                       ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3905:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<unsigned int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3905 |         for (int i=0; i<canonical_order.size(); ++i)
      |                       ~^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*, std::allocator<OpenBabel::OBAtom*> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2865:35: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
 2865 |           snprintf(tcount, 10, "%d", hcount);
      |                                   ^
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*, std::allocator<OpenBabel::OBAtom*> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2865:19:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 2 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*, std::allocator<OpenBabel::OBAtom*> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2857:35: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
 2857 |           snprintf(tcount, 10, "%d", i);
      |                                   ^
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*, std::allocator<OpenBabel::OBAtom*> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2857:19:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 2 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘OpenBabel::OBMol2Cansmi::ToCansmilesString(OpenBabel::OBCanSmiNode*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&, OpenBabel::OBBitVec&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3531:32: warning: ‘%d’ directive output may be truncated writing between 1 and 11 bytes into a region of size 8 [-Wformat-truncation=]
 3531 |           snprintf(digits, 8, "%d", bci->ringdigit);
      |                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3531:31: note: directive argument in the range [-2147483648, 99]
 3531 |           snprintf(digits, 8, "%d", bci->ringdigit);
      |                               ^~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBMol2Cansmi::ToCansmilesString(OpenBabel::OBCanSmiNode*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&, OpenBabel::OBBitVec&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3531:19:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 2 and 12 bytes into a destination of size 8
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 58%] Building CXX object src/formats/CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemkinformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o -MF CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o.d -o CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:18:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp: In member function ‘bool OpenBabel::ChemKinFormat::ReadReactionQualifierLines(std::istream&, OpenBabel::OBReaction*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:640:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  640 |       for(int i=0;i<toks.size()-1;++i)//also incremented in body to retrieve id,val pairs
      |                   ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp: In member function ‘bool OpenBabel::ChemKinFormat::WriteReactionLine(OpenBabel::OBReaction*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:911:11: warning: enumeration value ‘ARRHENIUS’ not handled in switch [-Wswitch]
  911 |     switch(pRD->ReactionType)
      |           ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:911:11: warning: enumeration value ‘THREEBODY’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:990:11: warning: enumeration value ‘ARRHENIUS’ not handled in switch [-Wswitch]
  990 |     switch(pRD->ReactionType)
      |           ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:990:11: warning: enumeration value ‘SRI’ not handled in switch [-Wswitch]
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 86%] Building CXX object test/CMakeFiles/test_runner.dir/smilestest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smilestest.cpp.o -MF CMakeFiles/test_runner.dir/smilestest.cpp.o.d -o CMakeFiles/test_runner.dir/smilestest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp: In function ‘void genericSmilesCanonicalTest(const std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:246:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  246 |       if (tetrahedral1[i].center == tetrahedral2[j].center)
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:248:9: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  248 |         if ( tetrahedral1[i] != tetrahedral2[j] ) {
      |         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:268:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  268 |       if (squareplanar1[i].center == squareplanar2[j].center)
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:270:9: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  270 |         if ( squareplanar1[i] != squareplanar2[j] ) {
      |         ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 43%] Building CXX object src/formats/CMakeFiles/cifformat.dir/cifformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcifformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cifformat.dir/cifformat.cpp.o -MF CMakeFiles/cifformat.dir/cifformat.cpp.o.d -o CMakeFiles/cifformat.dir/cifformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp: In member function ‘void OpenBabel::CIFData::CalcMatrices()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:915:11: warning: variable ‘aa’ set but not used [-Wunused-but-set-variable]
  915 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:915:14: warning: variable ‘bb’ set but not used [-Wunused-but-set-variable]
  915 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:915:27: warning: variable ‘betaa’ set but not used [-Wunused-but-set-variable]
  915 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |                           ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:915:33: warning: variable ‘gammaa’ set but not used [-Wunused-but-set-variable]
  915 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |                                 ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp: In member function ‘virtual bool OpenBabel::CIFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:1693:15: warning: label ‘std’ defined but not used [-Wunused-label]
 1693 |               std:vector<int> uc;
      |               ^~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/regressionstest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/regressionstest.cpp.o -MF CMakeFiles/test_runner.dir/regressionstest.cpp.o.d -o CMakeFiles/test_runner.dir/regressionstest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp: In function ‘void test_ChemDraw_Basic()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp:70:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
   70 |   for (int i=0; i<size; ++i) {
      |                 ~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h: In instantiation of ‘void ob_compare(T1, T2, const char*, const char*, int, const char*) [with T1 = unsigned int; T2 = int]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp:242:3:   required from here
   36 |   ob_compare(a, b, OB_EXPR( a == b ), __FILE__, __LINE__, FUNCTION_SIGNATURE)
      |   ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:22:11: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
   22 |   if (!(a == b))
      |        ~~~^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 88%] Linking CXX shared module ../../lib64/mdffformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdffformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mdffformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mdffformat.so CMakeFiles/mdffformat.dir/mdffformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 99%] Built target mdffformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 86%] Building CXX object test/CMakeFiles/test_runner.dir/shuffletest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/shuffletest.cpp.o -MF CMakeFiles/test_runner.dir/shuffletest.cpp.o.d -o CMakeFiles/test_runner.dir/shuffletest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/shuffletest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/shuffletest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/stereotest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/stereotest.cpp.o -MF CMakeFiles/test_runner.dir/stereotest.cpp.o.d -o CMakeFiles/test_runner.dir/stereotest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp: In function ‘bool doStereoPerception(OpenBabel::OBMol&, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘ExtendedCisTrans’ not handled in switch [-Wswitch]
  102 |     switch (units.at(i).type) {
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘SquarePlanar’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘ExtendedTetrahedral’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘TrigonalBipyramidal’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘Octahedral’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp: In function ‘bool doStereoPerception2(OpenBabel::OBMol&, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘ExtendedCisTrans’ not handled in switch [-Wswitch]
  132 |     switch (units.at(i).type) {
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘SquarePlanar’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘ExtendedTetrahedral’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘TrigonalBipyramidal’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘Octahedral’ not handled in switch [-Wswitch]
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 79%] Building CXX object src/GUI/CMakeFiles/obgui.dir/optswx.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/GUI && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/. -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT src/GUI/CMakeFiles/obgui.dir/optswx.cpp.o -MF CMakeFiles/obgui.dir/optswx.cpp.o.d -o CMakeFiles/obgui.dir/optswx.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./optswx.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/wx-3.2/wx/stringimpl.h:66,
                 from /usr/include/wx-3.2/wx/unichar.h:15,
                 from /usr/include/wx-3.2/wx/strvararg.h:19,
                 from /usr/include/wx-3.2/wx/string.h:37,
                 from /usr/include/wx-3.2/wx/memory.h:15,
                 from /usr/include/wx-3.2/wx/object.h:19,
                 from /usr/include/wx-3.2/wx/tokenzr.h:14,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./stdwx.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp: In member function ‘bool DynOptionswx::Construct(const char*, const char*, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:130:17: warning: comparing the result of pointer addition ‘(p + -1)’ and NULL [-Waddress]
  130 |     while(p && p-1 && *p && *p!='\n') //loop for all options until blank line
      |                ~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:223:16: warning: suggest parentheses around assignment used as truth value [-Wparentheses]
  223 |         if(pdef=strcasestr(pCaption,"default"))
      |            ~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:226:17: warning: unused variable ‘tok’ [-Wunused-variable]
  226 |           char* tok=strtok(pdef," :-\t</\"\'");
      |                 ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:293:60: warning: statement has no effect [-Wunused-value]
  293 |           strcasecmp(pdef,"no") && !strcasecmp(pdef,"not") && strcasecmp(pdef,"none");
      |           ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./stdwx.h:50:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./babel.xpm: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./babel.xpm:2:20: warning: ‘sample_xpm’ defined but not used [-Wunused-variable]
    2 | static const char *sample_xpm[] = {
      |                    ^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o -MF CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o.d -o CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:255:5: warning: multi-line comment [-Wcomment]
  255 |     //         /    \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:270:5: warning: multi-line comment [-Wcomment]
  270 |     //         /    \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:285:5: warning: multi-line comment [-Wcomment]
  285 |     //         \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:287:5: warning: multi-line comment [-Wcomment]
  287 |     //              \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:310:5: warning: multi-line comment [-Wcomment]
  310 |     //              \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:329:5: warning: multi-line comment [-Wcomment]
  329 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:339:5: warning: multi-line comment [-Wcomment]
  339 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:349:5: warning: multi-line comment [-Wcomment]
  349 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:366:5: warning: multi-line comment [-Wcomment]
  366 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:377:5: warning: multi-line comment [-Wcomment]
  377 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:390:5: warning: multi-line comment [-Wcomment]
  390 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:401:5: warning: multi-line comment [-Wcomment]
  401 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:432:5: warning: multi-line comment [-Wcomment]
  432 |     //   \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:434:5: warning: multi-line comment [-Wcomment]
  434 |     //        \
      |     ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 85%] Linking CXX shared module ../../lib64/wlnformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/wlnformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/wlnformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/wlnformat.so CMakeFiles/wlnformat.dir/wlnformat.cpp.o "CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o"  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 91%] Linking CXX shared module ../../lib64/smileyformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/smileyformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/smileyformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/smileyformat.so CMakeFiles/smileyformat.dir/smileyformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 99%] Built target smileyformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 99%] Built target wlnformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 84%] Linking CXX shared module ../../lib64/orcaformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/orcaformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/orcaformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/orcaformat.so CMakeFiles/orcaformat.dir/orcaformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 99%] Built target orcaformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 64%] Building CXX object src/formats/CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemdoodlejsonformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o -MF CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o.d -o CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_tree.h:67,
                 from /usr/include/c++/15/map:64,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp: In member function ‘virtual bool OpenBabel::ChemDoodleJSONFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp:115:30: warning: comparison of integer expressions of different signedness: ‘rapidjson::SizeType’ {aka ‘unsigned int’} and ‘int’ [-Wsign-compare]
  115 |       if (inRoot["m"].Size() > currentMolIndex) {
      |           ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/unitcell.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/unitcell.cpp.o -MF CMakeFiles/test_runner.dir/unitcell.cpp.o.d -o CMakeFiles/test_runner.dir/unitcell.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/unitcell.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2798:32: warning: variable ‘bondtype1’ set but not used [-Wunused-but-set-variable]
 2798 |     int angletype, strbndtype, bondtype1, bondtype2;
      |                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2798:43: warning: variable ‘bondtype2’ set but not used [-Wunused-but-set-variable]
 2798 |     int angletype, strbndtype, bondtype1, bondtype2;
      |                                           ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Bond() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:289:40:   required from here
  289 |         return gradients ? E_Bond<true>() : E_Bond<false>();
      |                            ~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:148:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  148 |     for (int i = 0; i < _bondcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Bond() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:289:58:   required from here
  289 |         return gradients ? E_Bond<true>() : E_Bond<false>();
      |                                             ~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:148:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  148 |     for (int i = 0; i < _bondcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Angle() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:295:41:   required from here
  295 |         return gradients ? E_Angle<true>() : E_Angle<false>();
      |                            ~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:263:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  263 |     for (int i = 0; i < _anglecalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Angle() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:295:60:   required from here
  295 |         return gradients ? E_Angle<true>() : E_Angle<false>();
      |                                              ~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:263:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  263 |     for (int i = 0; i < _anglecalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_StrBnd() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:301:42:   required from here
  301 |         return gradients ? E_StrBnd<true>() : E_StrBnd<false>();
      |                            ~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:376:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  376 |     for (int i = 0; i < _strbndcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_StrBnd() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:301:62:   required from here
  301 |         return gradients ? E_StrBnd<true>() : E_StrBnd<false>();
      |                                               ~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:376:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  376 |     for (int i = 0; i < _strbndcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Torsion() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:307:43:   required from here
  307 |         return gradients ? E_Torsion<true>() : E_Torsion<false>();
      |                            ~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:512:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFTorsionCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  512 |     for (int i = 0; i < _torsioncalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Torsion() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:307:64:   required from here
  307 |         return gradients ? E_Torsion<true>() : E_Torsion<false>();
      |                                                ~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:512:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFTorsionCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  512 |     for (int i = 0; i < _torsioncalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_OOP() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:313:39:   required from here
  313 |         return gradients ? E_OOP<true>() : E_OOP<false>();
      |                            ~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:610:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFOOPCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  610 |     for (int i = 0; i < _oopcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_OOP() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:313:56:   required from here
  313 |         return gradients ? E_OOP<true>() : E_OOP<false>();
      |                                            ~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:610:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFOOPCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  610 |     for (int i = 0; i < _oopcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_VDW() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:319:39:   required from here
  319 |         return gradients ? E_VDW<true>() : E_VDW<false>();
      |                            ~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:707:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFVDWCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  707 |     for (int i = 0; i < _vdwcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_VDW() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:319:56:   required from here
  319 |         return gradients ? E_VDW<true>() : E_VDW<false>();
      |                                            ~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:707:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFVDWCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  707 |     for (int i = 0; i < _vdwcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Electrostatic() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:325:49:   required from here
  325 |         return gradients ? E_Electrostatic<true>() : E_Electrostatic<false>();
      |                            ~~~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:793:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  793 |     for (int i = 0; i < _electrostaticcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Electrostatic() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:325:76:   required from here
  325 |         return gradients ? E_Electrostatic<true>() : E_Electrostatic<false>();
      |                                                      ~~~~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:793:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  793 |     for (int i = 0; i < _electrostaticcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::PerceiveAromatic()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:1451:30: warning: ‘index’ may be used uninitialized [-Wmaybe-uninitialized]
 1451 |       ringbond = _mol.GetBond(first_rj, index);
      |                  ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:1388:12: note: ‘index’ was declared here
 1388 |     int n, index, ringsize, first_rj, prev_rj, pi_electrons, c60;
      |            ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:1451:30: warning: ‘first_rj’ may be used uninitialized [-Wmaybe-uninitialized]
 1451 |       ringbond = _mol.GetBond(first_rj, index);
      |                  ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:1388:29: note: ‘first_rj’ was declared here
 1388 |     int n, index, ringsize, first_rj, prev_rj, pi_electrons, c60;
      |                             ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:44:
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationMMFF94::OBFFBondCalculationMMFF94(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationMMFF94>::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFBondCalculationMMFF94>&, OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94, std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::push_back(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2765:38:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2707:31: note: ‘bondcalc’ declared here
 2707 |     OBFFBondCalculationMMFF94 bondcalc;
      |                               ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationMMFF94::OBFFBondCalculationMMFF94(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationMMFF94>::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFBondCalculationMMFF94>&, OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94, std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::push_back(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2765:38:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2707:31: note: ‘bondcalc’ declared here
 2707 |     OBFFBondCalculationMMFF94 bondcalc;
      |                               ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationMMFF94::OBFFBondCalculationMMFF94(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationMMFF94>::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFBondCalculationMMFF94>&, OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94, std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::push_back(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2775:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2707:31: note: ‘bondcalc’ declared here
 2707 |     OBFFBondCalculationMMFF94 bondcalc;
      |                               ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationMMFF94::OBFFBondCalculationMMFF94(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationMMFF94>::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFBondCalculationMMFF94>&, OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94, std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::push_back(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2775:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2707:31: note: ‘bondcalc’ declared here
 2707 |     OBFFBondCalculationMMFF94 bondcalc;
      |                               ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].energy’ was declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationMMFF94 &)&anglecalc].theta’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘MEM[(const struct OBFFAngleCalculationMMFF94 &)&anglecalc].theta’ was declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationMMFF94 &)&anglecalc].delta’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘MEM[(const struct OBFFAngleCalculationMMFF94 &)&anglecalc].delta’ was declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::_M_realloc_append<OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::_M_realloc_append<OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::_M_realloc_append<OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&strbndcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFCalculation2 &)&strbndcalc].energy’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&strbndcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&strbndcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&strbndcalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_theta’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_theta’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_rab’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_rab’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_rbc’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_rbc’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].theta’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].theta’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].rab’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].rbc’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].rbc’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_ab_a’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_ab_b’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_bc_b’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_bc_c’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_abc_a’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_abc_b’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationMMFF94::OBFFVDWCalculationMMFF94(OpenBabel::OBFFVDWCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:78:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationMMFF94>::construct<OpenBabel::OBFFVDWCalculationMMFF94, OpenBabel::OBFFVDWCalculationMMFF94 const&>(OpenBabel::OBFFVDWCalculationMMFF94*, OpenBabel::OBFFVDWCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationMMFF94> >::construct<OpenBabel::OBFFVDWCalculationMMFF94, OpenBabel::OBFFVDWCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFVDWCalculationMMFF94>&, OpenBabel::OBFFVDWCalculationMMFF94*, OpenBabel::OBFFVDWCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationMMFF94, std::allocator<OpenBabel::OBFFVDWCalculationMMFF94> >::push_back(OpenBabel::OBFFVDWCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3609:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3485:30: note: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ was declared here
 3485 |     OBFFVDWCalculationMMFF94 vdwcalc;
      |                              ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationMMFF94::OBFFVDWCalculationMMFF94(OpenBabel::OBFFVDWCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationMMFF94>::construct<OpenBabel::OBFFVDWCalculationMMFF94, OpenBabel::OBFFVDWCalculationMMFF94 const&>(OpenBabel::OBFFVDWCalculationMMFF94*, OpenBabel::OBFFVDWCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationMMFF94> >::construct<OpenBabel::OBFFVDWCalculationMMFF94, OpenBabel::OBFFVDWCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFVDWCalculationMMFF94>&, OpenBabel::OBFFVDWCalculationMMFF94*, OpenBabel::OBFFVDWCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationMMFF94, std::allocator<OpenBabel::OBFFVDWCalculationMMFF94> >::push_back(OpenBabel::OBFFVDWCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3609:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:78:9: warning: ‘MEM[(const struct OBFFVDWCalculationMMFF94 &)&vdwcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   78 |   class OBFFVDWCalculationMMFF94 : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3485:30: note: ‘MEM[(const struct OBFFVDWCalculationMMFF94 &)&vdwcalc].rab’ was declared here
 3485 |     OBFFVDWCalculationMMFF94 vdwcalc;
      |                              ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationMMFF94::OBFFElectrostaticCalculationMMFF94(OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:89:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94>::construct<OpenBabel::OBFFElectrostaticCalculationMMFF94, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&>(OpenBabel::OBFFElectrostaticCalculationMMFF94*, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94> >::construct<OpenBabel::OBFFElectrostaticCalculationMMFF94, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94>&, OpenBabel::OBFFElectrostaticCalculationMMFF94*, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94, std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94> >::push_back(OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3671:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3618:40: note: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ was declared here
 3618 |     OBFFElectrostaticCalculationMMFF94 elecalc;
      |                                        ^~~~~~~
In member function ‘OpenBabel::OBFFElectrostaticCalculationMMFF94::OBFFElectrostaticCalculationMMFF94(OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94>::construct<OpenBabel::OBFFElectrostaticCalculationMMFF94, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&>(OpenBabel::OBFFElectrostaticCalculationMMFF94*, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94> >::construct<OpenBabel::OBFFElectrostaticCalculationMMFF94, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94>&, OpenBabel::OBFFElectrostaticCalculationMMFF94*, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94, std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94> >::push_back(OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3671:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:89:9: warning: ‘MEM[(const struct OBFFElectrostaticCalculationMMFF94 &)&elecalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   89 |   class OBFFElectrostaticCalculationMMFF94 : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3618:40: note: ‘MEM[(const struct OBFFElectrostaticCalculationMMFF94 &)&elecalc].rab’ was declared here
 3618 |     OBFFElectrostaticCalculationMMFF94 elecalc;
      |                                        ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4329:13: warning: ‘etot’ may be used uninitialized [-Wmaybe-uninitialized]
 4329 |       delta = (Energy() - etot);
      |       ~~~~~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:12: note: ‘etot’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |            ^~~~
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4301:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘ebond’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:18: note: ‘ebond’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                  ^~~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4305:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘eangle’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:25: note: ‘eangle’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                         ^~~~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4313:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘eoop’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:33: note: ‘eoop’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                 ^~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4309:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘estbn’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:39: note: ‘estbn’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                       ^~~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4317:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘etor’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:46: note: ‘etor’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                              ^~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4321:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘evdw’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:52: note: ‘evdw’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                                    ^~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4325:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘eeq’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:58: note: ‘eeq’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                                          ^~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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[ 90%] Linking CXX shared module ../../lib64/mmcifformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mmcifformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mmcifformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mmcifformat.so CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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[ 99%] Built target mmcifformat
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/vaspformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/vaspformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/vaspformat.so CMakeFiles/vaspformat.dir/vaspformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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[ 62%] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o -MF CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o.d -o CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/matrix3x3.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘bool OpenBabel::CMLFormat::DoHCounts()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:967:25: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  967 |           if(it->second == atom->GetIdx())
      |              ~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘void OpenBabel::CMLFormat::WriteMetadataList(OpenBabel::OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:1269:26: warning: unused variable ‘C_TITLE’ [-Wunused-variable]
 1269 |     static const xmlChar C_TITLE[]        = "title";
      |                          ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘std::string OpenBabel::CMLFormat::getTimestr()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:1319:12: warning: variable ‘time_res’ set but not used [-Wunused-but-set-variable]
 1319 |     size_t time_res;                             /* Result of strftime                */
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘virtual bool OpenBabel::CMLFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:1366:26: warning: unused variable ‘C_DESCRIPTION’ [-Wunused-variable]
 1366 |     static const xmlChar C_DESCRIPTION[]      = "description";
      |                          ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘bool OpenBabel::CMLFormat::WriteVibrationData(OpenBabel::OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:2308:26: warning: unused variable ‘C_SCALAR’ [-Wunused-variable]
 2308 |     static const xmlChar C_SCALAR[]       = "scalar";
      |                          ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 30%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eqeq.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eqeq.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eqeq.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:214,
                 from /usr/include/eigen3/Eigen/LU:11,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eqeq.h:29:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::pload(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1671:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1671 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:172:
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::ploadu(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1716:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1716 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 98%] Linking CXX shared module ../../lib64/cmlreactformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cmlreactformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cmlreactformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cmlreactformat.so CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pdbqtformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pdbqtformat.so CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mdlformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mdlformat.so CMakeFiles/mdlformat.dir/mdlformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chemkinformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemkinformat.so CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/smilesformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/smilesformat.so CMakeFiles/smilesformat.dir/smilesformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cifformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cifformat.so CMakeFiles/cifformat.dir/cifformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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[ 64%] Building CXX object src/formats/CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpubchemjsonformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o -MF CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o.d -o CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_tree.h:67,
                 from /usr/include/c++/15/map:64,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp: In member function ‘virtual bool OpenBabel::PubChemJSONFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp:121:41: warning: comparison of integer expressions of different signedness: ‘rapidjson::SizeType’ {aka ‘unsigned int’} and ‘int’ [-Wsign-compare]
  121 |       if (inRoot["PC_Compounds"].Size() > currentMolIndex) {
      |           ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp:131:42: warning: comparison of integer expressions of different signedness: ‘rapidjson::SizeType’ {aka ‘unsigned int’} and ‘int’ [-Wsign-compare]
  131 |       if (inRoot["PC_Substances"].Size() > currentMolIndex) {
      |           ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 71%] Building CXX object src/GUI/CMakeFiles/obgui.dir/OBGUI.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/GUI && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/. -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT src/GUI/CMakeFiles/obgui.dir/OBGUI.cpp.o -MF CMakeFiles/obgui.dir/OBGUI.cpp.o.d -o CMakeFiles/obgui.dir/OBGUI.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/wx-3.2/wx/stringimpl.h:66,
                 from /usr/include/wx-3.2/wx/unichar.h:15,
                 from /usr/include/wx-3.2/wx/strvararg.h:19,
                 from /usr/include/wx-3.2/wx/string.h:37,
                 from /usr/include/wx-3.2/wx/memory.h:15,
                 from /usr/include/wx-3.2/wx/object.h:19,
                 from /usr/include/wx-3.2/wx/tokenzr.h:14,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./stdwx.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./selformats.h: In member function ‘bool ActiveFormats::Add(wxString&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./selformats.h:82:66: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
   82 |                 return (ActiveFormatsString.find(format+_T(';')) != -1);
      |                         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘virtual bool OBGUIApp::OnInit()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:129:21: warning: unused variable ‘splash’ [-Wunused-variable]
  129 |     wxSplashScreen* splash = new wxSplashScreen(bitmap,
      |                     ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::OnConvert(wxCommandEvent&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:589:9: warning: ignoring return value of ‘std::__cxx11::basic_istringstream<_CharT, _Traits, _Alloc>::__string_type std::__cxx11::basic_istringstream<_CharT, _Traits, _Alloc>::str() const [with _CharT = char; _Traits = std::char_traits<char>; _Alloc = std::allocator<char>; __string_type = std::__cxx11::basic_string<char>]’, declared with attribute ‘nodiscard’ [-Wunused-result]
  589 |   ss.str();
      |   ~~~~~~^~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:28:
/usr/include/c++/15/sstream:713:7: note: declared here
  713 |       str() const _GLIBCXX_LVAL_REF_QUAL
      |       ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::DisplayInputFiles(wxArrayString)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:766:12: warning: comparison of integer expressions of different signedness: ‘int’ and ‘size_t’ {aka ‘long unsigned int’} [-Wsign-compare]
  766 |   for(i=0;i<filepatharray.GetCount();++i)
      |           ~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘bool OBGUIFrame::SetChoice(wxChoice*, const wxString&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:890:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  890 |   for(int iSel=0;iSel<pChoice->GetCount();iSel++)
      |                  ~~~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘wxString OBGUIFrame::ShortenedPath(const wxString&, const wxWindow&, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:934:10: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  934 |   if(pos1==wxNOT_FOUND || pos1+1 == path.length()) return path;
      |          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:936:10: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  936 |   if(pos1==wxNOT_FOUND || pos1+1 == path.length()) return path;
      |          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:943:12: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  943 |     if(pos2==wxNOT_FOUND || pos2+1 == tpath.length()) return path;
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:946:46: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  946 |     if(tpath.find_first_of(_T("/\\"), pos2+1)==wxNOT_FOUND) return path;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::GetAvailableFormats()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1000:13: warning: comparison of integer expressions of different signedness: ‘int’ and ‘const size_t’ {aka ‘const long unsigned int’} [-Wsign-compare]
 1000 |       if(pos!=wxString::npos)
      |          ~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1005:11: warning: variable ‘n’ set but not used [-Wunused-but-set-variable]
 1005 |       int n;
      |           ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::MakePluginsMenu()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1101:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1101 |   for(int itop=0; itop < topvec.size(); ++itop)
      |                   ~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1109:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1109 |     for(int isub=0; isub < subvec.size(); ++isub)
      |                     ~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void CFilenames::OnKeyPress(wxKeyEvent&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1187:50: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 1187 |       if(nameWithWildcard.find_first_of(_T("*?"))==wxNOT_FOUND)
      |                                                  ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1203:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1203 |         for(i=0;i<filelist.size();++i)
      |                 ~^~~~~~~~~~~~~~~~
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/MCDLformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/MCDLformat.so CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cmlformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cmlformat.so CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o CMakeFiles/cmlformat.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gaussformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gaussformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gaussformat.so CMakeFiles/gaussformat.dir/gaussformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/GUI && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgui.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obgui.dir/link.d CMakeFiles/obgui.dir/OBGUI.cpp.o CMakeFiles/obgui.dir/stdwx.cpp.o CMakeFiles/obgui.dir/optswx.cpp.o -o ../../bin/obgui  ../../lib64/libopenbabel.so.7.0.0 -pthread -lwx_baseu-3.2 -lwx_gtk3u_core-3.2 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pubchemjsonformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pubchemjsonformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pubchemjsonformat.so CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 31%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qeq.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qeq.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qeq.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:214,
                 from /usr/include/eigen3/Eigen/LU:11,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qeq.h:29:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::pload(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1671:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1671 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:172:
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::ploadu(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1716:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1716 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:341:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h: In function ‘Eigen::internal::trmv_selector<6, 1>::run<Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const>, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const>, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> > >(Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const> const&, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const> const&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >::Scalar const&)void [clone .isra.0]’:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:332:12: warning: ‘result_47’ may be used uninitialized [-Wmaybe-uninitialized]
  327 |     internal::triangular_matrix_vector_product
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  328 |       <Index,Mode,
      |       ~~~~~~~~~~~~
  329 |        LhsScalar, LhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  330 |        RhsScalar, RhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  331 |        RowMajor>
      |        ~~~~~~~~~
  332 |       ::run(actualLhs.rows(),actualLhs.cols(),
      |       ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  333 |             actualLhs.data(),actualLhs.outerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  334 |             actualRhsPtr,1,
      |             ~~~~~~~~~~~~~~~
  335 |             dest.data(),dest.innerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  336 |             actualAlpha);
      |             ~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:105:24: note: by argument 5 of type ‘const double *’ to ‘Eigen::internal::triangular_matrix_vector_product<long, 6, double, false, double, false, 1, 0>::run(long, long, double const*, long, double const*, long, double*, long, double const&) [clone .constprop.0]’ declared here
  105 | EIGEN_DONT_INLINE void triangular_matrix_vector_product<Index,Mode,LhsScalar,ConjLhs,RhsScalar,ConjRhs,RowMajor,Version>
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 31%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qtpie.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qtpie.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qtpie.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:214,
                 from /usr/include/eigen3/Eigen/LU:11,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qtpie.h:29:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::pload(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1671:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1671 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:172:
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::ploadu(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1716:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1716 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:341:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h: In function ‘Eigen::internal::trmv_selector<6, 1>::run<Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const>, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const>, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> > >(Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const> const&, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const> const&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >::Scalar const&)void [clone .isra.0]’:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:332:12: warning: ‘result_47’ may be used uninitialized [-Wmaybe-uninitialized]
  327 |     internal::triangular_matrix_vector_product
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  328 |       <Index,Mode,
      |       ~~~~~~~~~~~~
  329 |        LhsScalar, LhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  330 |        RhsScalar, RhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  331 |        RowMajor>
      |        ~~~~~~~~~
  332 |       ::run(actualLhs.rows(),actualLhs.cols(),
      |       ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  333 |             actualLhs.data(),actualLhs.outerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  334 |             actualRhsPtr,1,
      |             ~~~~~~~~~~~~~~~
  335 |             dest.data(),dest.innerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  336 |             actualAlpha);
      |             ~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:105:24: note: by argument 5 of type ‘const double *’ to ‘Eigen::internal::triangular_matrix_vector_product<long, 6, double, false, double, false, 1, 0>::run(long, long, double const*, long, double const*, long, double*, long, double const&) [clone .constprop.0]’ declared here
  105 | EIGEN_DONT_INLINE void triangular_matrix_vector_product<Index,Mode,LhsScalar,ConjLhs,RhsScalar,ConjRhs,RowMajor,Version>
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 99%] Linking CXX shared module ../lib64/plugin_charges.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_charges.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/plugin_charges.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_charges.so CMakeFiles/plugin_charges.dir/charges/eem.cpp.o CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o CMakeFiles/plugin_charges.dir/charges/none.cpp.o CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 99%] Built target plugin_charges
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 97%] Building CXX object scripts/CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbindings_python_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/python3.13 -I/usr/lib64/perl5/CORE -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT scripts/CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o -MF CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o.d -o CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp
In file included from /usr/include/python3.13/pyconfig.h:6,
                 from /usr/include/python3.13/Python.h:14,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:207:
/usr/include/python3.13/pyconfig-64.h:1943:9: warning: ‘_LARGEFILE_SOURCE’ redefined
 1943 | #define _LARGEFILE_SOURCE 1
      |         ^~~~~~~~~~~~~~~~~
<command-line>: note: this is the location of the previous definition
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/generic.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3643:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3644:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:74:12: note:   by ‘double OpenBabel::OBGridData::GetValue(int, int, int) const’
   74 |     double GetValue(int i, int j, int k) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3651:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3658:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/stdexcept:41,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3559:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:214,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/align.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3697:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::pload(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1671:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1671 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:172:
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h: In function ‘Packet Eigen::internal::ploadu(const typename unpacket_traits<T>::type*) [with Packet = eigen_packet_wrapper<int, 2>; typename unpacket_traits<T>::type = signed char]’:
/usr/include/eigen3/Eigen/src/Core/arch/NEON/PacketMath.h:1716:9: warning: ‘void* memcpy(void*, const void*, size_t)’ copying an object of non-trivial type ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} from an array of ‘const int8_t’ {aka ‘const signed char’} [-Wclass-memaccess]
 1716 |   memcpy(&res, from, sizeof(Packet4c));
      |   ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/GenericPacketMath.h:159:8: note: ‘Eigen::internal::Packet4c’ {aka ‘struct Eigen::internal::eigen_packet_wrapper<int, 2>’} declared here
  159 | struct eigen_packet_wrapper
      |        ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_SwigPyIterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7756:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7756 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7756:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7756 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SwigPyIterator_incr(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7794:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7794 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator_incr", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7794:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7794 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator_incr", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7796:64: note: in expansion of macro ‘SWIG_fail’
 7796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7798:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7798:64: note: in expansion of macro ‘SWIG_fail’
 7798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SwigPyIterator_decr(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7825:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7825 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator_decr", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7825:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7825 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator_decr", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7827:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7827 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7827:64: note: in expansion of macro ‘SWIG_fail’
 7827 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7829:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7829 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7829:64: note: in expansion of macro ‘SWIG_fail’
 7829 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SwigPyIterator___sub__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8018:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8018 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator___sub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8018:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8018 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator___sub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8022:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8022 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8022:64: note: in expansion of macro ‘SWIG_fail’
 8022 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___setslice____SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8104:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8104 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8104:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8104 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8125:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8125 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8125:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8125 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8127:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8127 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8127:64: note: in expansion of macro ‘SWIG_fail’
 8127 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8129:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8129 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8129:64: note: in expansion of macro ‘SWIG_fail’
 8129 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___setitem____SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8200:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8200 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8200:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8200 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___delitem____SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8211:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8211 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8211:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8211 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8220:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8220 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8220:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8220 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8224:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8224 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8224:64: note: in expansion of macro ‘SWIG_fail’
 8224 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___getitem____SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8231:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8231 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8231:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8231 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8244:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8244 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8244:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8244 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8248:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8248 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8248:64: note: in expansion of macro ‘SWIG_fail’
 8248 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8268:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8268 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8268:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8268 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8270:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8270 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8270:64: note: in expansion of macro ‘SWIG_fail’
 8270 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8273:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8273 |     if (!_v) goto check_2; return _wrap_vectorInt___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8273:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8273 |     if (!_v) goto check_2; return _wrap_vectorInt___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8275:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8275:64: note: in expansion of macro ‘SWIG_fail’
 8275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8289:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8289 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8289:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8289 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8297:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8297 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8297:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8297 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt_clear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8300:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8300 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8300:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8300 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8328:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8328 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8328:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8328 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8331:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8331 |     if (!_v) goto check_2; return _wrap_new_vectorInt__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8331:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8331 |     if (!_v) goto check_2; return _wrap_new_vectorInt__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8334:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8334 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8334:64: note: in expansion of macro ‘SWIG_fail’
 8334 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_vectorInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8342:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8342 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8342:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8342 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8361:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8361 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8361:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8361 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8456:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8456 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8456:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8456 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8458:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8458 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8458:64: note: in expansion of macro ‘SWIG_fail’
 8458 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8460:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8460 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8460:64: note: in expansion of macro ‘SWIG_fail’
 8460 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8554:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8554 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8554:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8554 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8558:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8558:64: note: in expansion of macro ‘SWIG_fail’
 8558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8580:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8580 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8580:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8580 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8584:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8584:64: note: in expansion of macro ‘SWIG_fail’
 8584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8607:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8607 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8607:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8607 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8609:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8609 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8609:64: note: in expansion of macro ‘SWIG_fail’
 8609 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8614:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8614 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8614:64: note: in expansion of macro ‘SWIG_fail’
 8614 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorUnsignedInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8637:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8637 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8637:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8637 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorUnsignedInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8668:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8668 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorUnsignedInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8668:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8668 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorUnsignedInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8670:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8670 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8670:64: note: in expansion of macro ‘SWIG_fail’
 8670 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8674:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8674 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8674:64: note: in expansion of macro ‘SWIG_fail’
 8674 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8676:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8676 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8676:64: note: in expansion of macro ‘SWIG_fail’
 8676 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8705:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8705 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8705:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8705 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8800:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8800 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8800:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8800 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8802:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8802 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8802:64: note: in expansion of macro ‘SWIG_fail’
 8802 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8804:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8804 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8804:64: note: in expansion of macro ‘SWIG_fail’
 8804 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8898:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8898 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8898:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8898 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8902:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8902 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8902:64: note: in expansion of macro ‘SWIG_fail’
 8902 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8923:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8923 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8923:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8923 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8927:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8927 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8927:64: note: in expansion of macro ‘SWIG_fail’
 8927 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8950:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8950 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8950:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8950 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8952:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8952 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8952:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8952 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8954:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8954 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8954:64: note: in expansion of macro ‘SWIG_fail’
 8954 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8959:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8959 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8959:64: note: in expansion of macro ‘SWIG_fail’
 8959 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8983:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8983 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8983:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8983 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvInt__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9015:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9015 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9015:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9015 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9017:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9017 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorvInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9017:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9017 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorvInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9019:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9019:64: note: in expansion of macro ‘SWIG_fail’
 9019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9023:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9023 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9023:64: note: in expansion of macro ‘SWIG_fail’
 9023 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9025:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9025 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9025:64: note: in expansion of macro ‘SWIG_fail’
 9025 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9054:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9054 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9054:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9054 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9147:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9147 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9147:64: note: in expansion of macro ‘SWIG_fail’
 9147 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9149:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9149 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9149:64: note: in expansion of macro ‘SWIG_fail’
 9149 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9245:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9245 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9245:64: note: in expansion of macro ‘SWIG_fail’
 9245 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9269:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9269 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9269:64: note: in expansion of macro ‘SWIG_fail’
 9269 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9293:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9293 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9293:64: note: in expansion of macro ‘SWIG_fail’
 9293 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9296:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9296 |     if (!_v) goto check_2; return _wrap_vectorDouble___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9296:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9296 |     if (!_v) goto check_2; return _wrap_vectorDouble___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9298:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9298 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9298:64: note: in expansion of macro ‘SWIG_fail’
 9298 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorDouble__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9320:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9320 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9320:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9320 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorDouble(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9351:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9351 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorDouble", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9351:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9351 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorDouble", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9353:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9353 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9353:64: note: in expansion of macro ‘SWIG_fail’
 9353 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9357:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9357 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9357:64: note: in expansion of macro ‘SWIG_fail’
 9357 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9359:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9359:64: note: in expansion of macro ‘SWIG_fail’
 9359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9387:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9387 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9387:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9387 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9483:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9483:64: note: in expansion of macro ‘SWIG_fail’
 9483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9485:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9485 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9485:64: note: in expansion of macro ‘SWIG_fail’
 9485 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9578:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9578 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9578:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9578 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9582:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9582 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9582:64: note: in expansion of macro ‘SWIG_fail’
 9582 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9603:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9603 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9603:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9603 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9607:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9607 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9607:64: note: in expansion of macro ‘SWIG_fail’
 9607 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9629:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9629 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9629:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9629 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9631:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9631 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9631:64: note: in expansion of macro ‘SWIG_fail’
 9631 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9636:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9636:64: note: in expansion of macro ‘SWIG_fail’
 9636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorULong__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9659:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9659 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9659:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9659 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorULong(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9690:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9690 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorULong", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9690:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9690 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorULong", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9692:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9692 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9692:64: note: in expansion of macro ‘SWIG_fail’
 9692 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9696:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9696 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9696:64: note: in expansion of macro ‘SWIG_fail’
 9696 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9698:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9698 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9698:64: note: in expansion of macro ‘SWIG_fail’
 9698 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9727:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9727:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9823:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9823 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9823:64: note: in expansion of macro ‘SWIG_fail’
 9823 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9825:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9825 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9825:64: note: in expansion of macro ‘SWIG_fail’
 9825 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9921:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9921 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9921:64: note: in expansion of macro ‘SWIG_fail’
 9921 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9946:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9946 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9946:64: note: in expansion of macro ‘SWIG_fail’
 9946 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9967:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9967 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9967:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9967 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9971:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9971 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9971:64: note: in expansion of macro ‘SWIG_fail’
 9971 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9976:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9976 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9976:64: note: in expansion of macro ‘SWIG_fail’
 9976 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorString__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9999:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9999 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9999:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9999 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorString__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10019:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10019 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10019:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10019 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10029:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10029 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10029:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10029 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorString(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10031:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10031 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorString", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10031:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10031 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorString", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10033:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10033 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10033:64: note: in expansion of macro ‘SWIG_fail’
10033 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10037:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10037 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10037:64: note: in expansion of macro ‘SWIG_fail’
10037 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10039:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10039 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10039:64: note: in expansion of macro ‘SWIG_fail’
10039 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10068:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10068 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10068:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10068 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10165:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10165 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10165:64: note: in expansion of macro ‘SWIG_fail’
10165 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10167:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10167 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10167:64: note: in expansion of macro ‘SWIG_fail’
10167 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10265:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10265 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10265:64: note: in expansion of macro ‘SWIG_fail’
10265 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10290:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10290 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10290:64: note: in expansion of macro ‘SWIG_fail’
10290 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10316:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10316 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10316:64: note: in expansion of macro ‘SWIG_fail’
10316 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10321:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10321 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10321:64: note: in expansion of macro ‘SWIG_fail’
10321 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorVector3__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10345:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10345 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10345:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10345 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorVector3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10378:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10378 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorVector3", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10378:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10378 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorVector3", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10380:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10380 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10380:64: note: in expansion of macro ‘SWIG_fail’
10380 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10384:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10384 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10384:64: note: in expansion of macro ‘SWIG_fail’
10384 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10386:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10386 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10386:64: note: in expansion of macro ‘SWIG_fail’
10386 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10523:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10523 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10523:64: note: in expansion of macro ‘SWIG_fail’
10523 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10525:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10525:64: note: in expansion of macro ‘SWIG_fail’
10525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10637:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10637:64: note: in expansion of macro ‘SWIG_fail’
10637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10665:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10665 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10665:64: note: in expansion of macro ‘SWIG_fail’
10665 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10692:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10692 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10692:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10692 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10696:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10696 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10696:64: note: in expansion of macro ‘SWIG_fail’
10696 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10701:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10701 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10701:64: note: in expansion of macro ‘SWIG_fail’
10701 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvVector3__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10717:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10717 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10717:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10717 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10726:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10726 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10726:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10726 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvVector3__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10748:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10748 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10748:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10748 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10759:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10759 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10759:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10759 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvVector3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10761:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10761 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorvVector3", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10761:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10761 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorvVector3", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10763:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10763:64: note: in expansion of macro ‘SWIG_fail’
10763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10767:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10767:64: note: in expansion of macro ‘SWIG_fail’
10767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10769:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10769 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10769:64: note: in expansion of macro ‘SWIG_fail’
10769 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10798:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10798 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10798:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10798 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10895:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10895 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10895:64: note: in expansion of macro ‘SWIG_fail’
10895 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10897:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10897 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10897:64: note: in expansion of macro ‘SWIG_fail’
10897 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10991:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10991 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10991:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10991 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10995:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10995:64: note: in expansion of macro ‘SWIG_fail’
10995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11016:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11016 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11016:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11016 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11020:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11020:64: note: in expansion of macro ‘SWIG_fail’
11020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11044:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11044 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11044:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11044 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11046:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11046:64: note: in expansion of macro ‘SWIG_fail’
11046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11051:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11051 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11051:64: note: in expansion of macro ‘SWIG_fail’
11051 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBMol__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11074:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11074 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11074:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11074 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBMol(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11107:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11107 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBMol", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11107:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11107 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBMol", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11109:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11109 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11109:64: note: in expansion of macro ‘SWIG_fail’
11109 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11113:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11113 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11113:64: note: in expansion of macro ‘SWIG_fail’
11113 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11115:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11115 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11115:64: note: in expansion of macro ‘SWIG_fail’
11115 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11144:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11144 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11144:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11144 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11241:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11241:64: note: in expansion of macro ‘SWIG_fail’
11241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11243:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11243 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11243:64: note: in expansion of macro ‘SWIG_fail’
11243 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11341:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11341:64: note: in expansion of macro ‘SWIG_fail’
11341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11366:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11366 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11366:64: note: in expansion of macro ‘SWIG_fail’
11366 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11392:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11392 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11392:64: note: in expansion of macro ‘SWIG_fail’
11392 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11397:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11397 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11397:64: note: in expansion of macro ‘SWIG_fail’
11397 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11420:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11420 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11420:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11420 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11453:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11453 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBBond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11453:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11453 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBBond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11455:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11455 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11455:64: note: in expansion of macro ‘SWIG_fail’
11455 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11459:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11459 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11459:64: note: in expansion of macro ‘SWIG_fail’
11459 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11461:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11461 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11461:64: note: in expansion of macro ‘SWIG_fail’
11461 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11490:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11490 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11490:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11490 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11587:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11587 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11587:64: note: in expansion of macro ‘SWIG_fail’
11587 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11589:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11589 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11589:64: note: in expansion of macro ‘SWIG_fail’
11589 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11687:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11687 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11687:64: note: in expansion of macro ‘SWIG_fail’
11687 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11712:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11712 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11712:64: note: in expansion of macro ‘SWIG_fail’
11712 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11739:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11739 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11739:64: note: in expansion of macro ‘SWIG_fail’
11739 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11744:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11744 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11744:64: note: in expansion of macro ‘SWIG_fail’
11744 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBResidue__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11768:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11768 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11768:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11768 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11801:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11801 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBResidue", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11801:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11801 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBResidue", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11803:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11803 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11803:64: note: in expansion of macro ‘SWIG_fail’
11803 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11807:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11807 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11807:64: note: in expansion of macro ‘SWIG_fail’
11807 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11809:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11809 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11809:64: note: in expansion of macro ‘SWIG_fail’
11809 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11838:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11838 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11838:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11838 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11935:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11935 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11935:64: note: in expansion of macro ‘SWIG_fail’
11935 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11937:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11937 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11937:64: note: in expansion of macro ‘SWIG_fail’
11937 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12035:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12035 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12035:64: note: in expansion of macro ‘SWIG_fail’
12035 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12060:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12060 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12060:64: note: in expansion of macro ‘SWIG_fail’
12060 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12086:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12086 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12086:64: note: in expansion of macro ‘SWIG_fail’
12086 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12091:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12091:64: note: in expansion of macro ‘SWIG_fail’
12091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12114:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12114 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12114:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12114 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12147:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12147 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12147:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12147 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12149:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12149 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12149:64: note: in expansion of macro ‘SWIG_fail’
12149 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12153:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12153 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12153:64: note: in expansion of macro ‘SWIG_fail’
12153 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12155:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12155:64: note: in expansion of macro ‘SWIG_fail’
12155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12184:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12184 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12184:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12184 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12281:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12281 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12281:64: note: in expansion of macro ‘SWIG_fail’
12281 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12283:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12283 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12283:64: note: in expansion of macro ‘SWIG_fail’
12283 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12381:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12381:64: note: in expansion of macro ‘SWIG_fail’
12381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12405:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12405 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12405:64: note: in expansion of macro ‘SWIG_fail’
12405 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12429:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12429 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12429:64: note: in expansion of macro ‘SWIG_fail’
12429 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12434:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12434 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12434:64: note: in expansion of macro ‘SWIG_fail’
12434 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12458:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12458 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12458:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12458 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBRing__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12479:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12479 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12479:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12479 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12489:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12489 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorpOBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12489:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12489 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorpOBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12491:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12491 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12491:64: note: in expansion of macro ‘SWIG_fail’
12491 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12495:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12495 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12495:64: note: in expansion of macro ‘SWIG_fail’
12495 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12497:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12497 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12497:64: note: in expansion of macro ‘SWIG_fail’
12497 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___len__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12555:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12555 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12555:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12555 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12631:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12631 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___setslice__", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12631:108: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12631 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___setslice__", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12633:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12633 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12633:64: note: in expansion of macro ‘SWIG_fail’
12633 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12635:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12635 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12635:64: note: in expansion of macro ‘SWIG_fail’
12635 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12739:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12739 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___delitem__", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12739:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12739 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___delitem__", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12743:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12743 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12743:64: note: in expansion of macro ‘SWIG_fail’
12743 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12766:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12766 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___getitem__", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12766:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12766 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___getitem__", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12770:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12770 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12770:64: note: in expansion of macro ‘SWIG_fail’
12770 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12796:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12796 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___setitem__", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12796:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12796 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___setitem__", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12798:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12798:64: note: in expansion of macro ‘SWIG_fail’
12798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12804:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12804 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12804:64: note: in expansion of macro ‘SWIG_fail’
12804 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBGenericData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12828:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12828 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12828:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12828 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBGenericData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12863:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12863 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12863:64: note: in expansion of macro ‘SWIG_fail’
12863 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12867:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12867 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12867:64: note: in expansion of macro ‘SWIG_fail’
12867 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12869:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12869 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12869:64: note: in expansion of macro ‘SWIG_fail’
12869 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___len__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12927 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12927:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12927 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13005:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13005 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___setslice__", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13005:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13005 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___setslice__", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13007:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13007 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13007:64: note: in expansion of macro ‘SWIG_fail’
13007 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13009:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13009 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13009:64: note: in expansion of macro ‘SWIG_fail’
13009 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13118:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13118 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___delitem__", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13118:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13118 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___delitem__", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13122:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13122 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13122:64: note: in expansion of macro ‘SWIG_fail’
13122 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13146:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13146 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___getitem__", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13146:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13146 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___getitem__", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13150:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13150:64: note: in expansion of macro ‘SWIG_fail’
13150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13177:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13177 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___setitem__", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13177:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13177 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___setitem__", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13179:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13179 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13179:64: note: in expansion of macro ‘SWIG_fail’
13179 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13185:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13185 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13185:64: note: in expansion of macro ‘SWIG_fail’
13185 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBInternalCoord__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13209:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13209 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13209:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13209 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBInternalCoord(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13244:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13244 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13244:64: note: in expansion of macro ‘SWIG_fail’
13244 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13248:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13248 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13248:64: note: in expansion of macro ‘SWIG_fail’
13248 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13250:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13250 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13250:64: note: in expansion of macro ‘SWIG_fail’
13250 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_pairUIntUInt__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13304:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13304 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13304:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13304 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_pairUIntUInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13306:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13306 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_pairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13306:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13306 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_pairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13308:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13308 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13308:64: note: in expansion of macro ‘SWIG_fail’
13308 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13310:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13310 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13310:64: note: in expansion of macro ‘SWIG_fail’
13310 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13312:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13312 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13312:64: note: in expansion of macro ‘SWIG_fail’
13312 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13487:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13487 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13487:64: note: in expansion of macro ‘SWIG_fail’
13487 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13489:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13489:64: note: in expansion of macro ‘SWIG_fail’
13489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13605:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13605 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13605:64: note: in expansion of macro ‘SWIG_fail’
13605 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13633:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13633 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13633:64: note: in expansion of macro ‘SWIG_fail’
13633 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13660:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13660 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13660:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13660 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13664:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13664:64: note: in expansion of macro ‘SWIG_fail’
13664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13669:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13669 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13669:64: note: in expansion of macro ‘SWIG_fail’
13669 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vpairUIntUInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13693:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13693 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13693:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13693 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vpairUIntUInt__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13705:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13705 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13705:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13705 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vpairUIntUInt__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13715:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13715 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13715:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13715 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13726:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13726 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13726:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13726 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vpairUIntUInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13728:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13728 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vpairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13728:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13728 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vpairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13730:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13730 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13730:64: note: in expansion of macro ‘SWIG_fail’
13730 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13734:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13734 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13734:64: note: in expansion of macro ‘SWIG_fail’
13734 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13736:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13736 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13736:64: note: in expansion of macro ‘SWIG_fail’
13736 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13874:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13874 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13874:64: note: in expansion of macro ‘SWIG_fail’
13874 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13876:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13876 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13876:64: note: in expansion of macro ‘SWIG_fail’
13876 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13992:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13992 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13992:64: note: in expansion of macro ‘SWIG_fail’
13992 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14021:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14021 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14021:64: note: in expansion of macro ‘SWIG_fail’
14021 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14048:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14048 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14048:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14048 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14052:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14052 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14052:64: note: in expansion of macro ‘SWIG_fail’
14052 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14057:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14057 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14057:64: note: in expansion of macro ‘SWIG_fail’
14057 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_append(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14094:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14094 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14094:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14094 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vvpairUIntUInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14105:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14105 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14105:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14105 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14114:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14114 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14114:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14114 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_rbegin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14180:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14180 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14180:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14180 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_rend(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14192:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14192 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14192:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14192 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vvpairUIntUInt__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14223:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14223 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14223:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14223 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_erase(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14303:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14303 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_erase", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14303:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14303 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_erase", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14305:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14305 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14305:64: note: in expansion of macro ‘SWIG_fail’
14305 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14307:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14307 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14307:64: note: in expansion of macro ‘SWIG_fail’
14307 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vvpairUIntUInt__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14317:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14317 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14317:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14317 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14328:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14328 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14328:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14328 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vvpairUIntUInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14330:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14330 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vvpairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14330:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14330 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vvpairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14332:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14332 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14332:64: note: in expansion of macro ‘SWIG_fail’
14332 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14336:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14336 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14336:64: note: in expansion of macro ‘SWIG_fail’
14336 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14338:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14338 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14338:64: note: in expansion of macro ‘SWIG_fail’
14338 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_push_back(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14362:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14362 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14362:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14362 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_front(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14367:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14367 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14367:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14367 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_back(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14380:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14380 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14380:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14380 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_assign(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14410:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14410 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14410:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14410 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_resize__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14432:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14432 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14432:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14432 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_resize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14434:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14434 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_resize", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14434:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14434 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_resize", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14436:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14436:64: note: in expansion of macro ‘SWIG_fail’
14436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14438:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14438 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14438:64: note: in expansion of macro ‘SWIG_fail’
14438 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_insert__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14473:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14473 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14473:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14473 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_insert__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14504:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14504 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14504:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14504 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_insert(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14506:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14506 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_insert", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14506:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14506 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_insert", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14508:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14508:64: note: in expansion of macro ‘SWIG_fail’
14508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14510:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14510:64: note: in expansion of macro ‘SWIG_fail’
14510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGlobalDataBase_SetReadDirectory(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14809:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14809 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14809:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14809 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGlobalDataBase_SetEnvironmentVariable(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14820:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14820 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14820:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14820 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGlobalDataBase_ParseLine(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14831:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14831 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14831:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14831 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAtomHOF(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14847:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14847 |   if (!SWIG_Python_UnpackTuple(args, "new_OBAtomHOF", 8, 8, swig_obj)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14847:83: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14847 |   if (!SWIG_Python_UnpackTuple(args, "new_OBAtomHOF", 8, 8, swig_obj)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                                                                   ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBAtomHOF(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14874:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14874 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14874:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14874 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_SetFromType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15029:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15029 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15029:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15029 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_SetToType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15041:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15041 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15041:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15041 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_Translate__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15056:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15056 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15056:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15056 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15057:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15057 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15057:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15057 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_Translate__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15076:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15076 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15076:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15076 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_Translate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15092:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15092 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTypeTable_Translate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15092:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15092 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTypeTable_Translate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15094:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15094 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15094:64: note: in expansion of macro ‘SWIG_fail’
15094 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15096:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15096 |     if (!_v) goto check_2; { int res = SWIG_AsPtr_std_string(argv[2], (std::string**)(0)); _v = SWIG_CheckState(res);}
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15096:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15096 |     if (!_v) goto check_2; { int res = SWIG_AsPtr_std_string(argv[2], (std::string**)(0)); _v = SWIG_CheckState(res);}
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15097:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15097 |     if (!_v) goto check_2; return _wrap_OBTypeTable_Translate__SWIG_1(self, argc, argv);}  check_2: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15097:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15097 |     if (!_v) goto check_2; return _wrap_OBTypeTable_Translate__SWIG_1(self, argc, argv);}  check_2: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15099:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15099 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15099:64: note: in expansion of macro ‘SWIG_fail’
15099 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_SetResName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15157:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15157 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15157:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15157 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_LookupBO__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15170:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15170 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15170:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15170 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_LookupBO__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15189:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15189 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15189:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15189 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15190:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15190 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15190:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15190 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_LookupBO(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15192:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15192 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidueData_LookupBO", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15192:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15192 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidueData_LookupBO", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15194:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15194 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15194:64: note: in expansion of macro ‘SWIG_fail’
15194 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15196:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15196 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15196:64: note: in expansion of macro ‘SWIG_fail’
15196 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_LookupType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15223:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15223 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15223:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15223 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSqrtTbl(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15326:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15326 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSqrtTbl", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15326:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15326 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSqrtTbl", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15329:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15329 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15329:64: note: in expansion of macro ‘SWIG_fail’
15329 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBSqrtTbl(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15335:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15335 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15335:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15335 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vector3__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15426:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15426 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15426:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15426 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vector3__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15438:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15438 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15438:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15438 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vector3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15456:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15456 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vector3", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15456:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15456 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vector3", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15463:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15463 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15463:64: note: in expansion of macro ‘SWIG_fail’
15463 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15466:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15466 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15466:64: note: in expansion of macro ‘SWIG_fail’
15466 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_vector3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15474:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15474 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15474:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15474 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_begin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15502:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15502 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_begin", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15502:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15502 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_begin", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15505:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15505 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15505:64: note: in expansion of macro ‘SWIG_fail’
15505 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_end(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15518:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15518 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_end", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15518:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15518 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_end", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15521:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15521 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15521:64: note: in expansion of macro ‘SWIG_fail’
15521 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_Set__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15527:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15527 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15527:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15527 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_Set(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15550:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15550 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_Set", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15550:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15550 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_Set", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15553:64: note: in expansion of macro ‘SWIG_fail’
15553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3___iadd__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15669:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___iadd__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15669:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___iadd__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15671:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15671 |      if (!_v) goto check_1; return _wrap_vector3___iadd____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15671:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15671 |      if (!_v) goto check_1; return _wrap_vector3___iadd____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15673:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15673:64: note: in expansion of macro ‘SWIG_fail’
15673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3___isub__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15690:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15690 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___isub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15690:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15690 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___isub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15692:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15692 |      if (!_v) goto check_1; return _wrap_vector3___isub____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15692:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15692 |      if (!_v) goto check_1; return _wrap_vector3___isub____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15694:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15694 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15694:64: note: in expansion of macro ‘SWIG_fail’
15694 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3___imul__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15740:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15740 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___imul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15740:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15740 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___imul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15744:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15744 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15744:64: note: in expansion of macro ‘SWIG_fail’
15744 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_randomUnitVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15750:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15750 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15750:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15750 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_x__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15786:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15786 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15786:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15786 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_y__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15793:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15793 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15793:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15793 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_z__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15800:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15800 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15800:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15800 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_x__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15807:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15807 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15807:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15807 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_x(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15813:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15813 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_x", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15813:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15813 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_x", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15816:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15816 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15816:64: note: in expansion of macro ‘SWIG_fail’
15816 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_y__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15821:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15821 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15821:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15821 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_y(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15827:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15827 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_y", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15827:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15827 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_y", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15830:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15830 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15830:64: note: in expansion of macro ‘SWIG_fail’
15830 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_z__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15835:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15835 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15835:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15835 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_z(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15841:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15841 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_z", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15841:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15841 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_z", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15844:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15844 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15844:64: note: in expansion of macro ‘SWIG_fail’
15844 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_Point2Plane(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16165:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16165 |   if (!SWIG_Python_UnpackTuple(args, "Point2Plane", 4, 4, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16165:81: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16165 |   if (!SWIG_Python_UnpackTuple(args, "Point2Plane", 4, 4, swig_obj)) SWIG_fail; {
      |                                                                                 ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_Point2PlaneAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16195:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16195 |   if (!SWIG_Python_UnpackTuple(args, "Point2PlaneAngle", 4, 4, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16195:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16195 |   if (!SWIG_Python_UnpackTuple(args, "Point2PlaneAngle", 4, 4, swig_obj)) SWIG_fail; {
      |                                                                                      ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_matrix3x3__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16262:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16262 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16262:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16262 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_matrix3x3__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16270:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16270 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16270:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16270 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_matrix3x3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16302:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16302 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_matrix3x3", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16302:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16302 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_matrix3x3", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16309:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16309 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16309:64: note: in expansion of macro ‘SWIG_fail’
16309 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_matrix3x3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16316:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16316 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16316:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16316 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_matrix3x3___call__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16360:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16360 |   if (!(argc = SWIG_Python_UnpackTuple(args, "matrix3x3___call__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16360:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16360 |   if (!(argc = SWIG_Python_UnpackTuple(args, "matrix3x3___call__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16362:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16362 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16362:64: note: in expansion of macro ‘SWIG_fail’
16362 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16364:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16364 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16364:64: note: in expansion of macro ‘SWIG_fail’
16364 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap___mul__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16633:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16633 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__mul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16633:82: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16633 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__mul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16635:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16635 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[1], NULL); _v = SWIG_CheckState(res); } }
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16635:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16635 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[1], NULL); _v = SWIG_CheckState(res); } }
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16636:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16636 |     if (!_v) goto check_1; return _wrap___mul____SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16636:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16636 |     if (!_v) goto check_1; return _wrap___mul____SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16640:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16640 |      if (!_v) goto check_2; return _wrap___mul____SWIG_2(self, argc, argv);}  check_2: if (argc == 2) { int _v = 0; {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16640:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16640 |      if (!_v) goto check_2; return _wrap___mul____SWIG_2(self, argc, argv);}  check_2: if (argc == 2) { int _v = 0; {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16646:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16646 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16646:64: note: in expansion of macro ‘SWIG_fail’
16646 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_transform3d__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16716:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16716 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16716:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16716 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_transform3d__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16755:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16755 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_a_3__double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16755:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16755 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_a_3__double, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_transform3d(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16766:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16766 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_transform3d", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16766:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16766 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_transform3d", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16768:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16768 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16768:64: note: in expansion of macro ‘SWIG_fail’
16768 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16770:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16770 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16770:64: note: in expansion of macro ‘SWIG_fail’
16770 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16774:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16774 |      if (!_v) goto check_3; return _wrap_new_transform3d__SWIG_1(self, argc, argv);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16774:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16774 |      if (!_v) goto check_3; return _wrap_new_transform3d__SWIG_1(self, argc, argv);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16776:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16776 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16776:64: note: in expansion of macro ‘SWIG_fail’
16776 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16778:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16778 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16778:64: note: in expansion of macro ‘SWIG_fail’
16778 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_transform3d___mul__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16818:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16818 |   if (!(argc = SWIG_Python_UnpackTuple(args, "transform3d___mul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16818:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16818 |   if (!(argc = SWIG_Python_UnpackTuple(args, "transform3d___mul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16822:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16822 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16822:64: note: in expansion of macro ‘SWIG_fail’
16822 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_SetHMName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16889:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16889 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16889:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16889 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_SetHallName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16900:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16900 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16900:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16900 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_AddTransform(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16924:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16924 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16924:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16924 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_GetSpaceGroup__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17013:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17013 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17013:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17013 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_GetSpaceGroup__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17016:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17016 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17016:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17016 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17023:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17023 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17023:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17023 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_GetSpaceGroup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17039:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17039 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17039:64: note: in expansion of macro ‘SWIG_fail’
17039 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBBitVec(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17135:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17135 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBBitVec", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17135:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17135 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBBitVec", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17141:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17141 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17141:64: note: in expansion of macro ‘SWIG_fail’
17141 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_FirstBit(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17223:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17223 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBitVec_FirstBit", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17223:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17223 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBitVec_FirstBit", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17225:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17225 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17225:64: note: in expansion of macro ‘SWIG_fail’
17225 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17227:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17227 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17227:64: note: in expansion of macro ‘SWIG_fail’
17227 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_FromVecInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17317:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17317 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17317:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17317 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_FromString(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17332:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17332 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17332:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17332 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_Clear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17348:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17348 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17348:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17348 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_Negate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17355:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17355 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17355:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17355 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec___ior__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17416:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17416 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBitVec___ior__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17416:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17416 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBitVec___ior__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17420:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17420 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17420:64: note: in expansion of macro ‘SWIG_fail’
17420 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap___sub__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17538:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17538 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__sub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17538:82: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17538 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__sub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17542:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17542 |      if (!_v) goto check_2; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17542:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17542 |      if (!_v) goto check_2; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17545:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17545 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17545:64: note: in expansion of macro ‘SWIG_fail’
17545 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBBitVec(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17616:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17616 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17616:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17616 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBGenericData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17654:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17654 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17654:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17654 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBGenericData__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17680:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17680 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17680:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17680 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBGenericData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17693:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17693 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBGenericData", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17693:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17693 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBGenericData", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17695:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17695 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17695:64: note: in expansion of macro ‘SWIG_fail’
17695 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17697:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17697 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17697:64: note: in expansion of macro ‘SWIG_fail’
17697 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17699:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17699 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17699:64: note: in expansion of macro ‘SWIG_fail’
17699 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17701:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17701 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17701:64: note: in expansion of macro ‘SWIG_fail’
17701 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGenericData_SetAttribute(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17742:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17742 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17742:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17742 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBBase(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17799:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17799 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17799:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17799 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17853:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17853 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_GetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17853:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17853 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_GetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17855:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17855 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17855:64: note: in expansion of macro ‘SWIG_fail’
17855 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17857:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17857 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17857:64: note: in expansion of macro ‘SWIG_fail’
17857 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_SetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17871:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17871 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17871:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17871 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_HasData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17884:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17884 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17884:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17884 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_HasData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17888:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17888 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17888:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17888 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17896:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17896 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17896:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17896 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_HasData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17908:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17908 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_HasData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; { {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17908:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17908 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_HasData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; { {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17914:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17914 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17914:64: note: in expansion of macro ‘SWIG_fail’
17914 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_DeleteData__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17965:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17965 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17965:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17965 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_DeleteData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17967:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17967 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_DeleteData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17967:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17967 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_DeleteData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17974:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17974 |     if (!_v) goto check_3; return _wrap_OBBase_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17974:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17974 |     if (!_v) goto check_3; return _wrap_OBBase_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17976:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17976 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17976:64: note: in expansion of macro ‘SWIG_fail’
17976 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18003:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18003 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18003:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18003 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18015:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18015 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18015:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18015 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18025:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18025 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18025:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18025 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18029:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18029 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18029:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18029 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18037:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18037 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18037:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18037 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18054:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18054 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18054:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18054 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18065:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18065 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18065:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18065 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18074:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18074 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_GetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18074:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18074 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_GetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18076:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18076 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18076:64: note: in expansion of macro ‘SWIG_fail’
18076 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18084:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18084 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18084:64: note: in expansion of macro ‘SWIG_fail’
18084 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBCommentData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18138:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18138 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBCommentData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18138:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18138 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBCommentData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18140:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18140 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18140:64: note: in expansion of macro ‘SWIG_fail’
18140 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18142:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18142 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18142:64: note: in expansion of macro ‘SWIG_fail’
18142 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBCommentData_SetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18157:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18157 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18157:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18157 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBCommentData_SetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18168:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18168 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18168:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18168 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBCommentData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18170:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18170 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBCommentData_SetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18170:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18170 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBCommentData_SetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18172:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18172 |     if (!_v) goto check_1; return _wrap_OBCommentData_SetData__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18172:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18172 |     if (!_v) goto check_1; return _wrap_OBCommentData_SetData__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18174:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18174 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18174:64: note: in expansion of macro ‘SWIG_fail’
18174 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBExternalBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18214:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18214 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18214:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18214 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBExternalBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18237:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18237 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBExternalBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18237:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18237 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBExternalBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18239:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18239:64: note: in expansion of macro ‘SWIG_fail’
18239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18241:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18241:64: note: in expansion of macro ‘SWIG_fail’
18241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18243:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18243 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18243:64: note: in expansion of macro ‘SWIG_fail’
18243 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPairData_SetValue__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18393:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18393 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18393:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18393 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPairData_SetValue__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18405:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18405 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18405:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18405 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPairData_SetValue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18407:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18407 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPairData_SetValue", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18407:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18407 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPairData_SetValue", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18409:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18409 |     if (!_v) goto check_1; return _wrap_OBPairData_SetValue__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18409:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18409 |     if (!_v) goto check_1; return _wrap_OBPairData_SetValue__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18411:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18411 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18411:64: note: in expansion of macro ‘SWIG_fail’
18411 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18476:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18476 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18476:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18476 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18490:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18490 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18490:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18490 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18502:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18502 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSetData_GetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18502:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18502 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSetData_GetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18504:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18504 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18504:64: note: in expansion of macro ‘SWIG_fail’
18504 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18508:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18508:64: note: in expansion of macro ‘SWIG_fail’
18508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetBegin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18515:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18515 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18515:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18515 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetEnd(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18524:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18524 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18524:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18524 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBSetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18543:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18543 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18543:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18543 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBVirtualBond__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18583:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18583 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18583:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18583 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBVirtualBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18593:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18593 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBVirtualBond", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18593:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18593 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBVirtualBond", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18595:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18595 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18595:64: note: in expansion of macro ‘SWIG_fail’
18595 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18597:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18597 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18597:64: note: in expansion of macro ‘SWIG_fail’
18597 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18599:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18599 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18599:64: note: in expansion of macro ‘SWIG_fail’
18599 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBRingData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18668:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18668 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBRingData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18668:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18668 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBRingData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18670:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18670 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18670:64: note: in expansion of macro ‘SWIG_fail’
18670 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18672:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18672 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18672:64: note: in expansion of macro ‘SWIG_fail’
18672 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBUnitCell(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18799:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18799 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBUnitCell", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18799:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18799 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBUnitCell", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18801:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18801 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18801:64: note: in expansion of macro ‘SWIG_fail’
18801 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18803:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18803 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18803:64: note: in expansion of macro ‘SWIG_fail’
18803 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18877:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18877 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_SetData", 0, 7, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18877:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18877 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_SetData", 0, 7, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18879:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18879:64: note: in expansion of macro ‘SWIG_fail’
18879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18881:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18881 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 7) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18881:64: note: in expansion of macro ‘SWIG_fail’
18881 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 7) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18883:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18883 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18883:64: note: in expansion of macro ‘SWIG_fail’
18883 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_SetSpaceGroup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18939:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18939 |     if (!_v) goto check_2; return _wrap_OBUnitCell_SetSpaceGroup__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18939:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18939 |     if (!_v) goto check_2; return _wrap_OBUnitCell_SetSpaceGroup__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18941:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18941 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18941:64: note: in expansion of macro ‘SWIG_fail’
18941 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetA(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18983:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18983 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetA", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18983:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18983 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetA", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18985:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18985 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18985:64: note: in expansion of macro ‘SWIG_fail’
18985 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18987:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18987 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18987:64: note: in expansion of macro ‘SWIG_fail’
18987 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetB(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19006:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19006 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetB", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19006:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19006 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetB", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19008:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19008 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19008:64: note: in expansion of macro ‘SWIG_fail’
19008 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19010:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19010 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19010:64: note: in expansion of macro ‘SWIG_fail’
19010 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetC(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19029:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19029 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetC", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19029:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19029 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetC", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19031:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19031 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19031:64: note: in expansion of macro ‘SWIG_fail’
19031 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19033:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19033 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19033:64: note: in expansion of macro ‘SWIG_fail’
19033 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetAlpha(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19053:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19053 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetAlpha", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19053:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19053 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetAlpha", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19055:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19055 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19055:64: note: in expansion of macro ‘SWIG_fail’
19055 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19057:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19057 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19057:64: note: in expansion of macro ‘SWIG_fail’
19057 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetBeta(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19076:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19076 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetBeta", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19076:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19076 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetBeta", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19078:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19078 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19078:64: note: in expansion of macro ‘SWIG_fail’
19078 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19080:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19080:64: note: in expansion of macro ‘SWIG_fail’
19080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetGamma(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19100:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19100 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetGamma", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19100:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19100 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetGamma", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19102:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19102 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19102:64: note: in expansion of macro ‘SWIG_fail’
19102 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19104:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19104 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19104:64: note: in expansion of macro ‘SWIG_fail’
19104 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetOffset(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19125:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19125 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetOffset", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19125:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19125 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetOffset", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19127:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19127 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19127:64: note: in expansion of macro ‘SWIG_fail’
19127 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19129:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19129 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19129:64: note: in expansion of macro ‘SWIG_fail’
19129 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetSpaceGroup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19153:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19153 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19153:64: note: in expansion of macro ‘SWIG_fail’
19153 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19155:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19155:64: note: in expansion of macro ‘SWIG_fail’
19155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetSpaceGroupName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19177:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19177 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19177:64: note: in expansion of macro ‘SWIG_fail’
19177 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19179:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19179 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19179:64: note: in expansion of macro ‘SWIG_fail’
19179 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetLatticeType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19225:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19225 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19225:64: note: in expansion of macro ‘SWIG_fail’
19225 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19227:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19227 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19227:64: note: in expansion of macro ‘SWIG_fail’
19227 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19229:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19229 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19229:64: note: in expansion of macro ‘SWIG_fail’
19229 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19231:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19231 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19231:64: note: in expansion of macro ‘SWIG_fail’
19231 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetCellVectors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19257:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19257 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19257:64: note: in expansion of macro ‘SWIG_fail’
19257 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19259:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19259 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19259:64: note: in expansion of macro ‘SWIG_fail’
19259 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetCellMatrix(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19282:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19282 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19282:64: note: in expansion of macro ‘SWIG_fail’
19282 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19284:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19284:64: note: in expansion of macro ‘SWIG_fail’
19284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetOrthoMatrix(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19307:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19307 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19307:64: note: in expansion of macro ‘SWIG_fail’
19307 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19309:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19309 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19309:64: note: in expansion of macro ‘SWIG_fail’
19309 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetOrientationMatrix(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19332:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19332 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetOrientationMatrix", 0, 1, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19332:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19332 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetOrientationMatrix", 0, 1, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19334:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19334 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19334:64: note: in expansion of macro ‘SWIG_fail’
19334 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19336:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19336 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19336:64: note: in expansion of macro ‘SWIG_fail’
19336 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetFractionalMatrix(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19359:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19359 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetFractionalMatrix", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19359:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19359 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetFractionalMatrix", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19361:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19361 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19361:64: note: in expansion of macro ‘SWIG_fail’
19361 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19363:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19363 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19363:64: note: in expansion of macro ‘SWIG_fail’
19363 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_FractionalToCartesian(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19400:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19400 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_FractionalToCartesian", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19400:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19400 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_FractionalToCartesian", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19402:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19402 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19402:64: note: in expansion of macro ‘SWIG_fail’
19402 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19404:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19404 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19404:64: note: in expansion of macro ‘SWIG_fail’
19404 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_CartesianToFractional(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19441:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19441 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_CartesianToFractional", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19441:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19441 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_CartesianToFractional", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19443:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19443 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19443:64: note: in expansion of macro ‘SWIG_fail’
19443 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19445:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19445 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19445:64: note: in expansion of macro ‘SWIG_fail’
19445 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_WrapCartesianCoordinate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19482:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19482 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_WrapCartesianCoordinate", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19482:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19482 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_WrapCartesianCoordinate", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19484:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19484 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19484:64: note: in expansion of macro ‘SWIG_fail’
19484 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19486:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19486 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19486:64: note: in expansion of macro ‘SWIG_fail’
19486 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_WrapFractionalCoordinate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19523:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19523 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_WrapFractionalCoordinate", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19523:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19523 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_WrapFractionalCoordinate", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19525:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19525:64: note: in expansion of macro ‘SWIG_fail’
19525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19527:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19527 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19527:64: note: in expansion of macro ‘SWIG_fail’
19527 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_UnwrapCartesianNear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19576:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19576 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_UnwrapCartesianNear", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19576:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19576 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_UnwrapCartesianNear", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19578:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19578 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19578:64: note: in expansion of macro ‘SWIG_fail’
19578 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19580:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19580 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19580:64: note: in expansion of macro ‘SWIG_fail’
19580 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_UnwrapFractionalNear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19630:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19630 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_UnwrapFractionalNear", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19630:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19630 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_UnwrapFractionalNear", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19632:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19632 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19632:64: note: in expansion of macro ‘SWIG_fail’
19632 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19634:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19634 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19634:64: note: in expansion of macro ‘SWIG_fail’
19634 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_MinimumImageCartesian(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19672:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19672 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_MinimumImageCartesian", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19672:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19672 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_MinimumImageCartesian", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19674:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19674 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19674:64: note: in expansion of macro ‘SWIG_fail’
19674 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19676:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19676 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19676:64: note: in expansion of macro ‘SWIG_fail’
19676 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_MinimumImageFractional(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19713:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19713 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_MinimumImageFractional", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19713:108: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19713 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_MinimumImageFractional", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19715:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19715 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19715:64: note: in expansion of macro ‘SWIG_fail’
19715 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19717:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19717 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19717:64: note: in expansion of macro ‘SWIG_fail’
19717 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetSpaceGroupNumber(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19759:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19759 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetSpaceGroupNumber", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19759:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19759 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetSpaceGroupNumber", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19761:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19761:64: note: in expansion of macro ‘SWIG_fail’
19761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19763:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19763:64: note: in expansion of macro ‘SWIG_fail’
19763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19765:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19765 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19765:64: note: in expansion of macro ‘SWIG_fail’
19765 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19767:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19767:64: note: in expansion of macro ‘SWIG_fail’
19767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetCellVolume(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19790:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19790 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19790:64: note: in expansion of macro ‘SWIG_fail’
19790 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19792:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19792 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19792:64: note: in expansion of macro ‘SWIG_fail’
19792 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConformerData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19824:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19824 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBConformerData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19824:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19824 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBConformerData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19826:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19826 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19826:64: note: in expansion of macro ‘SWIG_fail’
19826 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19828:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19828 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19828:64: note: in expansion of macro ‘SWIG_fail’
19828 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSymmetryData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20000:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20000 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSymmetryData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20000:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20000 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSymmetryData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20002:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20002 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20002:64: note: in expansion of macro ‘SWIG_fail’
20002 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20004:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20004 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20004:64: note: in expansion of macro ‘SWIG_fail’
20004 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSymmetryData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20040:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSymmetryData_SetData", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20040:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSymmetryData_SetData", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20042:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20042:64: note: in expansion of macro ‘SWIG_fail’
20042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20044:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20044:64: note: in expansion of macro ‘SWIG_fail’
20044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20107:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20107 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBTorsion", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20107:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20107 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBTorsion", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20114:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20114 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20114:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20114 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsion_Clear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20122:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20122 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20122:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20122 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsion_AddTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20174:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20174 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_AddTorsion", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20174:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20174 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_AddTorsion", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20176:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20176 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20176:64: note: in expansion of macro ‘SWIG_fail’
20176 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20178:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20178 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20178:64: note: in expansion of macro ‘SWIG_fail’
20178 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsion_SetAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20208:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20208 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_SetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20208:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20208 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_SetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20210:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20210 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20210:64: note: in expansion of macro ‘SWIG_fail’
20210 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20212:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20212 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20212:64: note: in expansion of macro ‘SWIG_fail’
20212 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsion_GetAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20256:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20256 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_GetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20256:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20256 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_GetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20258:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20258 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20258:64: note: in expansion of macro ‘SWIG_fail’
20258 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20260:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20260 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20260:64: note: in expansion of macro ‘SWIG_fail’
20260 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsionData_GetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20324:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20324 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20324:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20324 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20394:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20394 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAngle", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20394:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20394 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAngle", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20401:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20401 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20401:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20401 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAngle_Clear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20424:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20424 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAngle, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20424:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20424 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAngle, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAngle_SetAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20479:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20479 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAngle_SetAtoms", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20479:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20479 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAngle_SetAtoms", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20481:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20481 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20481:64: note: in expansion of macro ‘SWIG_fail’
20481 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20483:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20483:64: note: in expansion of macro ‘SWIG_fail’
20483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAngleData_FillAngleArray(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20543:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20543 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20543:64: note: in expansion of macro ‘SWIG_fail’
20543 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20545:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20545 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20545:64: note: in expansion of macro ‘SWIG_fail’
20545 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSerialNums(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20602:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20602 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSerialNums", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20602:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20602 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSerialNums", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20604:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20604 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20604:64: note: in expansion of macro ‘SWIG_fail’
20604 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20606:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20606 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20606:64: note: in expansion of macro ‘SWIG_fail’
20606 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBVibrationData_SetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20696:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20696 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20696:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20696 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20697:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20697 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20697:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20697 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBVibrationData_SetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20731:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20731 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20731:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20731 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20732:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20732 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20732:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20732 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20733:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20733 |   if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20733:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20733 |   if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBVibrationData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20735:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20735 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBVibrationData_SetData", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20735:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20735 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBVibrationData_SetData", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20737:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20737 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20737:64: note: in expansion of macro ‘SWIG_fail’
20737 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20739:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20739 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20739:64: note: in expansion of macro ‘SWIG_fail’
20739 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBDOSData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20807:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20807 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20807:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20807 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDOSData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20843:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20843 |   if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20843:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20843 |   if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20844:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20844 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20844:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20844 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOrbital_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOrbital_SetData", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20927:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOrbital_SetData", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20929:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20929:64: note: in expansion of macro ‘SWIG_fail’
20929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20931:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20931:64: note: in expansion of macro ‘SWIG_fail’
20931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20933:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20933 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20933:64: note: in expansion of macro ‘SWIG_fail’
20933 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBOrbital(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20966:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20966 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20966:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20966 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOrbitalData_SetHOMO(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21054:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21054 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOrbitalData_SetHOMO", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21054:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21054 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOrbitalData_SetHOMO", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21056:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21056 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21056:64: note: in expansion of macro ‘SWIG_fail’
21056 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21058:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21058 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21058:64: note: in expansion of macro ‘SWIG_fail’
21058 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOrbitalData_GetAlphaOrbitals(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21097:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21097 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21097:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21097 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOrbitalData_GetBetaOrbitals(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21106:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21106 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21106:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21106 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_SetEDipole(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21234:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21234 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21234:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21234 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_SetRotatoryStrengthsVelocity(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21250:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21250 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21250:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21250 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_SetRotatoryStrengthsLength(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21266:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21266 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21266:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21266 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_GetRotatoryStrengthsVelocity(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21300:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21300 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21300:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21300 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_GetRotatoryStrengthsLength(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21310:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21310 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21310:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21310 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBVectorData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21438:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21438 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBVectorData_SetData", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21438:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21438 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBVectorData_SetData", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21440:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21440 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21440:64: note: in expansion of macro ‘SWIG_fail’
21440 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21442:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21442 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21442:64: note: in expansion of macro ‘SWIG_fail’
21442 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBFreeGridPoint(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21533:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21533 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBFreeGridPoint", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21533:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21533 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBFreeGridPoint", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21535:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21535 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21535:64: note: in expansion of macro ‘SWIG_fail’
21535 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21537:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21537 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21537:64: note: in expansion of macro ‘SWIG_fail’
21537 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBPcharge(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21741:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21741 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21741:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21741 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_GetAxes(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21951:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21951 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_GetAxes", 0, 4, argv))) SWIG_fail; --argc; if (argc == 4) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21951:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21951 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_GetAxes", 0, 4, argv))) SWIG_fail; --argc; if (argc == 4) { int _v = 0;
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21953:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21953 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_double, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21953:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21953 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_double, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21958:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21958 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21958:64: note: in expansion of macro ‘SWIG_fail’
21958 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_GetNumberOfPoints(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21996:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21996 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21996:64: note: in expansion of macro ‘SWIG_fail’
21996 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21998:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21998 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21998:64: note: in expansion of macro ‘SWIG_fail’
21998 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_GetValue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22052:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22052 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_GetValue", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22052:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22052 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_GetValue", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22054:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22054 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22054:64: note: in expansion of macro ‘SWIG_fail’
22054 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22056:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22056 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22056:64: note: in expansion of macro ‘SWIG_fail’
22056 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_GetOriginVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22105:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22105:64: note: in expansion of macro ‘SWIG_fail’
22105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22107:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22107:64: note: in expansion of macro ‘SWIG_fail’
22107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_SetLimits(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22203:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22203 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_SetLimits", 0, 5, argv))) SWIG_fail; --argc; if (argc == 5) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22203:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22203 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_SetLimits", 0, 5, argv))) SWIG_fail; --argc; if (argc == 5) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22207:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22207 |      if (!_v) goto check_1; { int res = SWIG_ConvertPtr(argv[3], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22207:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22207 |      if (!_v) goto check_1; { int res = SWIG_ConvertPtr(argv[3], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22210:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22210 |      if (!_v) goto check_1; return _wrap_OBGridData_SetLimits__SWIG_0(self, argc, argv);}  check_1: if (argc == 5) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22210:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22210 |      if (!_v) goto check_1; return _wrap_OBGridData_SetLimits__SWIG_0(self, argc, argv);}  check_1: if (argc == 5) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22212:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22212 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22212:64: note: in expansion of macro ‘SWIG_fail’
22212 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_SetValues(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22249:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22249 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22249:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22249 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChainsParser_PerceiveChains(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22338:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22338 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBChainsParser_PerceiveChains", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22338:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22338 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBChainsParser_PerceiveChains", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22340:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22340 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22340:64: note: in expansion of macro ‘SWIG_fail’
22340 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22342:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22342 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22342:64: note: in expansion of macro ‘SWIG_fail’
22342 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAtomTyper(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22384:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22384 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAtomTyper", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22384:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22384 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAtomTyper", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22386:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22386 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22386:64: note: in expansion of macro ‘SWIG_fail’
22386 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22388:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22388 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22388:64: note: in expansion of macro ‘SWIG_fail’
22388 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_dummy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22531:8: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22531 |   std::binary_function< char const *,char const *,bool > *result = 0 ; (void)self;
      |        ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22533:18: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22533 |   result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                  ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22533:79: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22533 |   result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                                                                               ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_dummy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22537:8: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22537 |   std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *) 0 ;
      |        ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22537:72: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22537 |   std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *) 0 ;
      |                                                                        ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22542:34: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22542 |    arg1 = reinterpret_cast< std::binary_function< char const *,char const *,bool > * >(argp1); delete arg1;
      |                                  ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CharPtrLess___call__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22571:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22571 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22571:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22571 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22572:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22572 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22572:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22572 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBPlugin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22599:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22599 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22599:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22599 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Display__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22638:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22638 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22638:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22638 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22639:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22639 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22639:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22639 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Display__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22656:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22656 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22656:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22656 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Display(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22658:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22658 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22658:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22658 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22660:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22660 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22660:64: note: in expansion of macro ‘SWIG_fail’
22660 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22662:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22662 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22662:64: note: in expansion of macro ‘SWIG_fail’
22662 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_MakeInstance(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22681:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22681 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22681:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22681 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Init(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22684:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22684 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBPlugin, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22684:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22684 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBPlugin, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_GetPlugin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22701 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22701:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22701 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22702:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22702 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22702:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22702 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_ListAsVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22728:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22728 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22728:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22728 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22729:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22729 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22729:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22729 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_List__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22758:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22758 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22758:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22758 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22762:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22762 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22762:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22762 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_List(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22764:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22764 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_List", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22764:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22764 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_List", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22767:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22767:64: note: in expansion of macro ‘SWIG_fail’
22767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_ListAsString__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22783:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22783 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22783:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22783 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22784:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22784 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22784:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22784 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_ListAsString(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22794:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22794 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_ListAsString", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22794:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22794 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_ListAsString", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22796:64: note: in expansion of macro ‘SWIG_fail’
22796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22798:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22798:64: note: in expansion of macro ‘SWIG_fail’
22798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_FirstLine(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22804:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22804 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22804:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22804 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Begin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22818:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22818 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22818:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22818 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_End(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22827:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22827 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22827:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22827 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_LoadAllPlugins(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22838:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22838 |   if (!SWIG_Python_UnpackTuple(args, "OBPlugin_LoadAllPlugins", 0, 0, 0)) SWIG_fail; OpenBabel::OBPlugin::LoadAllPlugins();
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22838:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22838 |   if (!SWIG_Python_UnpackTuple(args, "OBPlugin_LoadAllPlugins", 0, 0, 0)) SWIG_fail; OpenBabel::OBPlugin::LoadAllPlugins();
      |                                                                                      ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_stringbuf(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22854:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22854 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22854:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22854 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22874:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22874 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22874:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22874 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22904:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22904 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22904:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22904 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22905:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22905 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22905:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22905 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22906:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22906 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22906:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22906 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22907:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22907 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22907:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22907 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22939:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22939 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22939:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22939 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22940:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22940 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22940:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22940 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22941:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22941 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22941:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22941 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22942:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22942 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22942:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22942 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22946:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22946 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22946:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22946 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22969:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22969 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22969:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22969 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22970:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22970 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22970:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22970 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22971:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22971 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22971:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22971 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22993:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22993 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22993:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22993 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22995:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22995 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22995:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22995 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23011:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23011 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23011:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23011 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23012:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23012 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23012:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23012 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_5(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23015:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23015 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23015:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23015 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23022:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23022 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23022:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23022 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23029:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23029 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBError", 0, 6, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23029:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23029 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBError", 0, 6, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23032:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23032 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23032:64: note: in expansion of macro ‘SWIG_fail’
23032 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23035:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23035 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23035:64: note: in expansion of macro ‘SWIG_fail’
23035 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23038:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23038 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23038:64: note: in expansion of macro ‘SWIG_fail’
23038 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap___lshift__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23074:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23074 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__lshift__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23074:85: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23074 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__lshift__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23076:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23076 |      if (!_v) goto check_1; return _wrap___lshift____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23076:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23076 |      if (!_v) goto check_1; return _wrap___lshift____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23083 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23083:64: note: in expansion of macro ‘SWIG_fail’
23083 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBError(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23146:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23146 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23146:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23146 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMessageHandler_ThrowError__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23229:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23229 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23229:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23229 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23230:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23230 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23230:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23230 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMessageHandler_ThrowError__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23251:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23251 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23251:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23251 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23252:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23252 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23252:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23252 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMessageHandler_ThrowError__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23270:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23270 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23270:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23270 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23271:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23271 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23271:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23271 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMessageHandler_ThrowError(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23275:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23275:64: note: in expansion of macro ‘SWIG_fail’
23275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23277:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23277 |      if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23277:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23277 |      if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23280:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23280 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23280:64: note: in expansion of macro ‘SWIG_fail’
23280 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23282:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23282 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23282:64: note: in expansion of macro ‘SWIG_fail’
23282 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23284:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23284:64: note: in expansion of macro ‘SWIG_fail’
23284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_obLogBuf(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23461:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23461 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23461:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23461 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23494:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23494 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23494:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23494 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_RegisterFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23620:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23620 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23620:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23620 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23621:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23621 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23621:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23621 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_RegisterFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23632:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23632 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23632:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23632 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_RegisterFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23634:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23634 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFormat_RegisterFormat", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23634:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23634 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFormat_RegisterFormat", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23636:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23636:64: note: in expansion of macro ‘SWIG_fail’
23636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23638:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23638 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23638:64: note: in expansion of macro ‘SWIG_fail’
23638 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_Display__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23662:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23662 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23662:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23662 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23663:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23663 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23663:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23663 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_Display__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23680:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23680 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23680:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23680 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_Display(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23682:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23682 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFormat_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23682:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23682 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFormat_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23684:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23684 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23684:64: note: in expansion of macro ‘SWIG_fail’
23684 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23686:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23686 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23686:64: note: in expansion of macro ‘SWIG_fail’
23686 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_FormatFromMIME(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23698:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23698 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23698:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23698 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23701 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23701:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23701 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConversion__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23716:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23716 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__istream, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23716:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23716 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__istream, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConversion__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23740:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23740 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23740:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23740 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConversion__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23752:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23752 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23752:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23752 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConversion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23771:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23771 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBConversion", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23771:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23771 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBConversion", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23773:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23773 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23773:64: note: in expansion of macro ‘SWIG_fail’
23773 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23779:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23779 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23779:64: note: in expansion of macro ‘SWIG_fail’
23779 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23782:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23782 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(self, argc, argv);}  check_5: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23782:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23782 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(self, argc, argv);}  check_5: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23784:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23784 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23784:64: note: in expansion of macro ‘SWIG_fail’
23784 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RegisterFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23814:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23814 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23814:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23814 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23815:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23815 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23815:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23815 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RegisterFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23819:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23819 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23819:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23819 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23828:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23828 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23828:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23828 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RegisterFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23832:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23832 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23832:64: note: in expansion of macro ‘SWIG_fail’
23832 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23834:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23834 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23834:64: note: in expansion of macro ‘SWIG_fail’
23834 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FindFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23847:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23847 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23847:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23847 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FindFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23850:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23850 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23850:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23850 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FindFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23858:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23858 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_FindFormat", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23858:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23858 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_FindFormat", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23860:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23860 |     if (!_v) goto check_1; return _wrap_OBConversion_FindFormat__SWIG_1(self, argc, argv);}  check_1: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23860:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23860 |     if (!_v) goto check_1; return _wrap_OBConversion_FindFormat__SWIG_1(self, argc, argv);}  check_1: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23862:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23862 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23862:64: note: in expansion of macro ‘SWIG_fail’
23862 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromExt__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23874:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23874 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23874:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23874 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromExt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23888:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23888 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23888:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23888 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromExt__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23891:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23891 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23891:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23891 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromExt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23915:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23915 |     if (!_v) goto check_1; return _wrap_OBConversion_FormatFromExt__SWIG_2(self, argc, argv);}  check_1: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23915:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23915 |     if (!_v) goto check_1; return _wrap_OBConversion_FormatFromExt__SWIG_2(self, argc, argv);}  check_1: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23917:64: note: in expansion of macro ‘SWIG_fail’
23917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23920:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23920 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23920:64: note: in expansion of macro ‘SWIG_fail’
23920 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23922:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23922 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23922:64: note: in expansion of macro ‘SWIG_fail’
23922 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromMIME(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23936:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23936 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23936:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23936 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInStream(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23986:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23986 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23986:64: note: in expansion of macro ‘SWIG_fail’
23986 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23988:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23988 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23988:64: note: in expansion of macro ‘SWIG_fail’
23988 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOutStream(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24019:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24019:64: note: in expansion of macro ‘SWIG_fail’
24019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24021:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24021 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24021:64: note: in expansion of macro ‘SWIG_fail’
24021 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInAndOutFormats__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24045:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24045 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24045:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24045 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24046:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24046 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24046:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24046 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInAndOutFormats__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24064:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24064 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24064:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24064 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24065:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24065 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24065:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24065 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInAndOutFormats__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24080:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24080 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24080:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24080 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24081:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24081 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24081:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24081 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInAndOutFormats(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24137:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24137 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_SetInAndOutFormats", 0, 5, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24137:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24137 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_SetInAndOutFormats", 0, 5, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24141:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24141 |     if (!_v) goto check_1; return _wrap_OBConversion_SetInAndOutFormats__SWIG_5(self, argc, argv);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24141:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24141 |     if (!_v) goto check_1; return _wrap_OBConversion_SetInAndOutFormats__SWIG_5(self, argc, argv);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24143:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24143 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24143:64: note: in expansion of macro ‘SWIG_fail’
24143 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24145:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24145 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24145:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24145 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24148:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24148 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24148:64: note: in expansion of macro ‘SWIG_fail’
24148 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24150:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24150:64: note: in expansion of macro ‘SWIG_fail’
24150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24152:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24152 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24152:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24152 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24155:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_5: if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24155:64: note: in expansion of macro ‘SWIG_fail’
24155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_5: if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24157:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24157 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24157:64: note: in expansion of macro ‘SWIG_fail’
24157 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24178:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24178 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24178:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24178 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24190:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24190 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24190:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24190 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24221:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24221:64: note: in expansion of macro ‘SWIG_fail’
24221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24223:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24223 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetInFormat__SWIG_2(self, argc, argv);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24223:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24223 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetInFormat__SWIG_2(self, argc, argv);
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24224:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24224 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24224:64: note: in expansion of macro ‘SWIG_fail’
24224 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24226:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24226 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24226:64: note: in expansion of macro ‘SWIG_fail’
24226 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOutFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24245:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24245 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24245:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24245 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOutFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24257:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24257 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24257:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24257 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOutFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24288:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24288 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24288:64: note: in expansion of macro ‘SWIG_fail’
24288 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24290:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24290 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetOutFormat__SWIG_2(self, argc, argv);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24290:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24290 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetOutFormat__SWIG_2(self, argc, argv);
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24291:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24291 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24291:64: note: in expansion of macro ‘SWIG_fail’
24291 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24293:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24293 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24293:64: note: in expansion of macro ‘SWIG_fail’
24293 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_IsOption__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24406:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24406 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24406:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24406 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_IsOption__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24418:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24418 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24418:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24418 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_IsOption(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24420:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24420 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_IsOption", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24420:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24420 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_IsOption", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24422:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24422 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24422:64: note: in expansion of macro ‘SWIG_fail’
24422 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24424:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24424 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24424:64: note: in expansion of macro ‘SWIG_fail’
24424 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_AddOption__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24474:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24474 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24474:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24474 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_AddOption__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24485:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24485 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24485:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24485 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_AddOption(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24487:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24487 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_AddOption", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24487:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24487 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_AddOption", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24489:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24489:64: note: in expansion of macro ‘SWIG_fail’
24489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24491:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24491 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24491:64: note: in expansion of macro ‘SWIG_fail’
24491 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24493:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24493 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24493:64: note: in expansion of macro ‘SWIG_fail’
24493 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RemoveOption(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24513:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24513 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24513:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24513 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOptions(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24528:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24528 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24528:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24528 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RegisterOptionParam(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24572:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24572 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_RegisterOptionParam", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24572:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24572 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_RegisterOptionParam", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24574:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24574 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24574:64: note: in expansion of macro ‘SWIG_fail’
24574 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24576:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24576 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24576:64: note: in expansion of macro ‘SWIG_fail’
24576 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24578:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24578 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24578:64: note: in expansion of macro ‘SWIG_fail’
24578 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_CopyOptions(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24623:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24623:64: note: in expansion of macro ‘SWIG_fail’
24623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24625:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24625 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24625:64: note: in expansion of macro ‘SWIG_fail’
24625 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_Convert(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24669:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Convert", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24669:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Convert", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24671:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24671 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24671:64: note: in expansion of macro ‘SWIG_fail’
24671 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24673:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24673:64: note: in expansion of macro ‘SWIG_fail’
24673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetFirstInput(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24756:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24756 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24756:64: note: in expansion of macro ‘SWIG_fail’
24756 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24758:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24758 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24758:64: note: in expansion of macro ‘SWIG_fail’
24758 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOneObjectOnly(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24807:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24807 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_SetOneObjectOnly", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24807:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24807 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_SetOneObjectOnly", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24809:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24809 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24809:64: note: in expansion of macro ‘SWIG_fail’
24809 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24811:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24811 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24811:64: note: in expansion of macro ‘SWIG_fail’
24811 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_Write(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24873:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24873 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Write", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24873:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24873 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Write", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24875:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24875 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24875:64: note: in expansion of macro ‘SWIG_fail’
24875 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24877:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24877 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24877:64: note: in expansion of macro ‘SWIG_fail’
24877 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_WriteString(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24909:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24909 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24909:64: note: in expansion of macro ‘SWIG_fail’
24909 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24911:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24911 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24911:64: note: in expansion of macro ‘SWIG_fail’
24911 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_Read(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24963:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24963 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Read", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24963:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24963 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Read", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24965:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24965 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24965:64: note: in expansion of macro ‘SWIG_fail’
24965 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24967:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24967:64: note: in expansion of macro ‘SWIG_fail’
24967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_ReportNumberConverted(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25040:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_ReportNumberConverted", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25040:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_ReportNumberConverted", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25042:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25042:64: note: in expansion of macro ‘SWIG_fail’
25042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25044:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25044:64: note: in expansion of macro ‘SWIG_fail’
25044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtomAssignTypicalImplicitHydrogens(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25091:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25091 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25091:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25091 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_GetExactMass__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25125:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25125 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25125:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25125 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_GetExactMass(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25130:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25130 |   if (!(argc = SWIG_Python_UnpackTuple(args, "GetExactMass", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25130:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25130 |   if (!(argc = SWIG_Python_UnpackTuple(args, "GetExactMass", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25133:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25133 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25133:64: note: in expansion of macro ‘SWIG_fail’
25133 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_GetAllredRochowElectroNeg(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25146:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25146 |   if (!args) SWIG_fail; swig_obj[0] = args; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25146:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25146 |   if (!args) SWIG_fail; swig_obj[0] = args; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25972:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25972 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBResidue", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25972:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25972 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBResidue", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25975:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25975:64: note: in expansion of macro ‘SWIG_fail’
25975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25981:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25981 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25981:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25981 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_SetName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26032:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26032 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26032:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26032 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_SetNum(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26054:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26054 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidue_SetNum", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26054:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26054 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidue_SetNum", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26058:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26058 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26058:64: note: in expansion of macro ‘SWIG_fail’
26058 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_SetAtomID(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26120:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26120 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26120:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26120 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_GetBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26232:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26232 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidue_GetBonds", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26232:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26232 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidue_GetBonds", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26234:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26234 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26234:64: note: in expansion of macro ‘SWIG_fail’
26234 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26236:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26236 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26236:64: note: in expansion of macro ‘SWIG_fail’
26236 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_BeginAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26331:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26331 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26331:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26331 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_EndAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26340:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26340 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26340:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26340 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBInternalCoord__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26532:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26532 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26532:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26532 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBInternalCoord(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26615:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26615 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBInternalCoord", 0, 6, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26615:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26615 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBInternalCoord", 0, 6, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26617:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26617 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26617:64: note: in expansion of macro ‘SWIG_fail’
26617 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26619:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26619 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26619:64: note: in expansion of macro ‘SWIG_fail’
26619 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26621:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26621 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26621:64: note: in expansion of macro ‘SWIG_fail’
26621 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26623:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26623:64: note: in expansion of macro ‘SWIG_fail’
26623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26625:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26625 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26625:64: note: in expansion of macro ‘SWIG_fail’
26625 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26627:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26627 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26627:64: note: in expansion of macro ‘SWIG_fail’
26627 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26629:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26629 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26629:64: note: in expansion of macro ‘SWIG_fail’
26629 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26682:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26682 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26682:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26682 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetType__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26798:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26798 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26798:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26798 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetType__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26810:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26810 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26810:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26810 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26812:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26812 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetType", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26812:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26812 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetType", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26816:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26816 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26816:64: note: in expansion of macro ‘SWIG_fail’
26816 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetVector__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26871:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26871 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26871:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26871 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26877:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26877 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetVector", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26877:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26877 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetVector", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26879:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26879:64: note: in expansion of macro ‘SWIG_fail’
26879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26881:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26881 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26881:64: note: in expansion of macro ‘SWIG_fail’
26881 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26883:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26883 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26883:64: note: in expansion of macro ‘SWIG_fail’
26883 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetAromatic__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26921:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26921 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26921:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26921 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetAromatic(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetAromatic", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26927:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetAromatic", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26929:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26929:64: note: in expansion of macro ‘SWIG_fail’
26929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26931:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26931:64: note: in expansion of macro ‘SWIG_fail’
26931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetInRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26946:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26946 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26946:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26946 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetInRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26952:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26952 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetInRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26952:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26952 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetInRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26954:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26954 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26954:64: note: in expansion of macro ‘SWIG_fail’
26954 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26956:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26956 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26956:64: note: in expansion of macro ‘SWIG_fail’
26956 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_ClearCoordPtr(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26962:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26962 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26962:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26962 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27178:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27178 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetVector", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27178:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27178 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetVector", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27180:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27180 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27180:64: note: in expansion of macro ‘SWIG_fail’
27180 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27182:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27182 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27182:64: note: in expansion of macro ‘SWIG_fail’
27182 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_BeginBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27240:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27240 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27240:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27240 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_EndBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27249:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27249 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27249:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27249 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetDistance(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27347:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27347 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetDistance", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27347:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27347 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetDistance", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27349:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27349 |     if (!_v) goto check_1; return _wrap_OBAtom_GetDistance__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27349:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27349 |     if (!_v) goto check_1; return _wrap_OBAtom_GetDistance__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27351:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27351 |     if (!_v) goto check_2; return _wrap_OBAtom_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27351:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27351 |     if (!_v) goto check_2; return _wrap_OBAtom_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27353:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27353 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27353:64: note: in expansion of macro ‘SWIG_fail’
27353 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetAngle__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27361:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27361 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27361:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27361 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetAngle__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27374:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27374 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27374:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27374 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27386:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27386 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27386:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27386 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) { int _v = 0; {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27388:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27388 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27388:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27388 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27391:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27391 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27391:64: note: in expansion of macro ‘SWIG_fail’
27391 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_NewResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27397:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27397 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27397:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27397 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_DeleteResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27415:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27415 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27415:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27415 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_ClearBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27462:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27462 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27462:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27462 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_ExplicitHydrogenCount(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27521:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27521 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27521:64: note: in expansion of macro ‘SWIG_fail’
27521 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27523:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27523 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27523:64: note: in expansion of macro ‘SWIG_fail’
27523 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_HasAlphaBetaUnsat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27794:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27794:64: note: in expansion of macro ‘SWIG_fail’
27794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27796:64: note: in expansion of macro ‘SWIG_fail’
27796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_MatchesSMARTS(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27868:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27868 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27868:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27868 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27904:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27904 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27904:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27904 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetLength(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27993:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27993 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetLength", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27993:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27993 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetLength", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27995:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27995:64: note: in expansion of macro ‘SWIG_fail’
27995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27997:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27997 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27997:64: note: in expansion of macro ‘SWIG_fail’
27997 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetAromatic__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28034:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28034 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28034:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28034 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetAromatic(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28040:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetAromatic", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28040:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetAromatic", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28042:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28042:64: note: in expansion of macro ‘SWIG_fail’
28042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28044:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28044:64: note: in expansion of macro ‘SWIG_fail’
28044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetWedge__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28059:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28059 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28059:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28059 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetWedge(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28065:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28065 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetWedge", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28065:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28065 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetWedge", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28067:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28067 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28067:64: note: in expansion of macro ‘SWIG_fail’
28067 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28069:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28069 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28069:64: note: in expansion of macro ‘SWIG_fail’
28069 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetHash__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28084:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28084 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28084:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28084 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetHash(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28090:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28090 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetHash", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28090:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28090 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetHash", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28092:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28092 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28092:64: note: in expansion of macro ‘SWIG_fail’
28092 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28094:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28094 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28094:64: note: in expansion of macro ‘SWIG_fail’
28094 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetWedgeOrHash__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28110:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28110 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28110:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28110 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetWedgeOrHash(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28116:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28116 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetWedgeOrHash", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28116:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28116 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetWedgeOrHash", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28118:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28118 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28118:64: note: in expansion of macro ‘SWIG_fail’
28118 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28120:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28120 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28120:64: note: in expansion of macro ‘SWIG_fail’
28120 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetInRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28135:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28135 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28135:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28135 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetInRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28141:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28141 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetInRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28141:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28141 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetInRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28143:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28143 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28143:64: note: in expansion of macro ‘SWIG_fail’
28143 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28145:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28145:64: note: in expansion of macro ‘SWIG_fail’
28145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetClosure__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28160 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28160:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28160 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetClosure(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28166:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28166 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetClosure", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28166:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28166 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetClosure", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28168:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28168 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28168:64: note: in expansion of macro ‘SWIG_fail’
28168 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28170:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28170 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28170:64: note: in expansion of macro ‘SWIG_fail’
28170 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_GetBeginAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28237:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28237 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_GetBeginAtom", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28237:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28237 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_GetBeginAtom", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28239:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28239:64: note: in expansion of macro ‘SWIG_fail’
28239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28241:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28241:64: note: in expansion of macro ‘SWIG_fail’
28241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_GetEndAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28263:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28263 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_GetEndAtom", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28263:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28263 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_GetEndAtom", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28265:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28265 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28265:64: note: in expansion of macro ‘SWIG_fail’
28265 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28267:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28267 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28267:64: note: in expansion of macro ‘SWIG_fail’
28267 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_IsRotor(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28357:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28357 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_IsRotor", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28357:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28357 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_IsRotor", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28359:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28359:64: note: in expansion of macro ‘SWIG_fail’
28359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28361:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28361 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28361:64: note: in expansion of macro ‘SWIG_fail’
28361 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBReaction_SetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28622:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28622 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28622:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28622 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBReaction_SetComment(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28635:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28635 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28635:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28635 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBReaction_SetReversible(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28664:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28664:64: note: in expansion of macro ‘SWIG_fail’
28664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28666:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28666 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28666:64: note: in expansion of macro ‘SWIG_fail’
28666 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBReactionFacade_AssignComponentIds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28729:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28729 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBReactionFacade_AssignComponentIds", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28729:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28729 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBReactionFacade_AssignComponentIds", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28731:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28731 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28731:64: note: in expansion of macro ‘SWIG_fail’
28731 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28733:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28733 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28733:64: note: in expansion of macro ‘SWIG_fail’
28733 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBMol__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28878:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28878 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0  | 0);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28878:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28878 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0  | 0);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBMol(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28888:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28888 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBMol", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28888:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28888 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBMol", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28891:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28891 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28891:64: note: in expansion of macro ‘SWIG_fail’
28891 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBMol(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28897:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28897 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28897:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28897 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddAtom__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28961:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28961 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28961:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28961 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28987:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28987 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28987:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28987 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28990:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28990 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28990:64: note: in expansion of macro ‘SWIG_fail’
28990 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddBond__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29011:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29011 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29011:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29011 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddBond__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29045:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29045 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29045:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29045 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29069:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29069 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddBond", 0, 6, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29069:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29069 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddBond", 0, 6, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29072:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29072 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29072:64: note: in expansion of macro ‘SWIG_fail’
29072 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29075:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29075 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29075:64: note: in expansion of macro ‘SWIG_fail’
29075 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NewAtom__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29104:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29104 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29104:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29104 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NewAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29114:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29114 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NewAtom", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29114:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29114 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NewAtom", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29117:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29117 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29117:64: note: in expansion of macro ‘SWIG_fail’
29117 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NewBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29132:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29132 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29132:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29132 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NewBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29142:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29142 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NewBond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29142:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29142 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NewBond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29145:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29145:64: note: in expansion of macro ‘SWIG_fail’
29145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteAtom__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29174:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29174 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29174:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29174 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29183:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29183 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29183:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29183 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29185:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29185 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29185:64: note: in expansion of macro ‘SWIG_fail’
29185 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29187:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29187 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29187:64: note: in expansion of macro ‘SWIG_fail’
29187 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29208:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29208 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29208:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29208 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29217:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29217 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29217:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29217 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29219:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29219 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29219:64: note: in expansion of macro ‘SWIG_fail’
29219 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29221:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29221:64: note: in expansion of macro ‘SWIG_fail’
29221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29251:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29251 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteResidue", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29251:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29251 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteResidue", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29253:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29253 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29253:64: note: in expansion of macro ‘SWIG_fail’
29253 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29255:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29255 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29255:64: note: in expansion of macro ‘SWIG_fail’
29255 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_BeginModify(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29261:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29261 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29261:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29261 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_EndModify__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29276:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29276 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29276:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29276 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_EndModify(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29282:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29282 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_EndModify", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29282:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29282 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_EndModify", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29284:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29284:64: note: in expansion of macro ‘SWIG_fail’
29284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29286:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29286 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29286:64: note: in expansion of macro ‘SWIG_fail’
29286 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_IncrementMod(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29299:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29299 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29299:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29299 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DecrementMod(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29306:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29306 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29306:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29306 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29335:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29335 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29335:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29335 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29337:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29337 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29337:64: note: in expansion of macro ‘SWIG_fail’
29337 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29339:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29339 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29339:64: note: in expansion of macro ‘SWIG_fail’
29339 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NumRotors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29388:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29388 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NumRotors", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29388:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29388 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NumRotors", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29390:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29390 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29390:64: note: in expansion of macro ‘SWIG_fail’
29390 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29392:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29392 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29392:64: note: in expansion of macro ‘SWIG_fail’
29392 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29455:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29455 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29455:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29455 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29482:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29482 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29482:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29482 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29486:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29486 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29486:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29486 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29489:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29489:64: note: in expansion of macro ‘SWIG_fail’
29489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetInternalCoord(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29508:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29508 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29508:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29508 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetTorsion__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29535:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29535 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29535:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29535 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29553:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29553 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetTorsion", 0, 5, argv))) SWIG_fail; --argc; if (argc == 5) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29553:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29553 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetTorsion", 0, 5, argv))) SWIG_fail; --argc; if (argc == 5) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29555:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29555 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29555:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29555 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29558:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29558 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29558:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29558 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29561:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29561 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29561:64: note: in expansion of macro ‘SWIG_fail’
29561 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetSpacedFormula(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29652:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29652 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetSpacedFormula", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29652:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29652 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetSpacedFormula", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29654:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29654 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29654:64: note: in expansion of macro ‘SWIG_fail’
29654 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29656:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29656 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29656:64: note: in expansion of macro ‘SWIG_fail’
29656 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29658:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29658 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29658:64: note: in expansion of macro ‘SWIG_fail’
29658 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29660:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29660 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29660:64: note: in expansion of macro ‘SWIG_fail’
29660 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetMolWt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29689:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29689 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetMolWt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29689:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29689 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetMolWt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29691:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29691 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29691:64: note: in expansion of macro ‘SWIG_fail’
29691 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29693:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29693 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29693:64: note: in expansion of macro ‘SWIG_fail’
29693 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetExactMass(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29714:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29714 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetExactMass", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29714:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29714 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetExactMass", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29716:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29716 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29716:64: note: in expansion of macro ‘SWIG_fail’
29716 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29718:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29718 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29718:64: note: in expansion of macro ‘SWIG_fail’
29718 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetTitle__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29792:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29792 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29792:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29792 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29806:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29806 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29806:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29806 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29810:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29810 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29810:64: note: in expansion of macro ‘SWIG_fail’
29810 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetAromaticPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29909:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29909 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29909:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29909 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetAromaticPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29917:64: note: in expansion of macro ‘SWIG_fail’
29917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29919:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29919 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29919:64: note: in expansion of macro ‘SWIG_fail’
29919 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetSSSRPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29934:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29934 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29934:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29934 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetSSSRPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29940:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29940 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetSSSRPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29940:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29940 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetSSSRPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29942:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29942 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29942:64: note: in expansion of macro ‘SWIG_fail’
29942 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29944:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29944 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29944:64: note: in expansion of macro ‘SWIG_fail’
29944 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetLSSRPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29959:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29959 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29959:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29959 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetLSSRPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29965:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29965 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetLSSRPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29965:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29965 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetLSSRPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29967:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29967:64: note: in expansion of macro ‘SWIG_fail’
29967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29969:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29969 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29969:64: note: in expansion of macro ‘SWIG_fail’
29969 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetRingAtomsAndBondsPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29984:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29984 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29984:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29984 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetRingAtomsAndBondsPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29991:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29991 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetRingAtomsAndBondsPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29991:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29991 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetRingAtomsAndBondsPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29993:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29993 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29993:64: note: in expansion of macro ‘SWIG_fail’
29993 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29995:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29995:64: note: in expansion of macro ‘SWIG_fail’
29995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetAtomTypesPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30010:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30010 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30010:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30010 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetAtomTypesPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30018:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30018 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30018:64: note: in expansion of macro ‘SWIG_fail’
30018 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30020:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30020:64: note: in expansion of macro ‘SWIG_fail’
30020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetRingTypesPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30035:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30035 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30035:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30035 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetRingTypesPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30043:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30043 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30043:64: note: in expansion of macro ‘SWIG_fail’
30043 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30045:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30045 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30045:64: note: in expansion of macro ‘SWIG_fail’
30045 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetChainsPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30060:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30060 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30060:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30060 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetChainsPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30068:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30068 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30068:64: note: in expansion of macro ‘SWIG_fail’
30068 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30070:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30070 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30070:64: note: in expansion of macro ‘SWIG_fail’
30070 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetChiralityPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30085:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30085 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30085:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30085 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetChiralityPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30093:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30093 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30093:64: note: in expansion of macro ‘SWIG_fail’
30093 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30095:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30095 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30095:64: note: in expansion of macro ‘SWIG_fail’
30095 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetPartialChargesPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30110:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30110 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30110:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30110 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetPartialChargesPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30117:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30117 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetPartialChargesPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30117:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30117 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetPartialChargesPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30119:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30119:64: note: in expansion of macro ‘SWIG_fail’
30119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30121:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30121:64: note: in expansion of macro ‘SWIG_fail’
30121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetHybridizationPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30136:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30136 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30136:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30136 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetHybridizationPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30143:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30143 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetHybridizationPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30143:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30143 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetHybridizationPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30145:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30145:64: note: in expansion of macro ‘SWIG_fail’
30145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30147:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30147 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30147:64: note: in expansion of macro ‘SWIG_fail’
30147 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetClosureBondsPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30162:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30162 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30162:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30162 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetClosureBondsPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30169:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30169 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetClosureBondsPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30169:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30169 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetClosureBondsPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30171:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30171 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30171:64: note: in expansion of macro ‘SWIG_fail’
30171 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30173:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30173 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30173:64: note: in expansion of macro ‘SWIG_fail’
30173 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetHydrogensAdded__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30188:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30188 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30188:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30188 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetHydrogensAdded(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30194:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30194 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetHydrogensAdded", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30194:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30194 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetHydrogensAdded", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30196:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30196 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30196:64: note: in expansion of macro ‘SWIG_fail’
30196 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30198:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30198 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30198:64: note: in expansion of macro ‘SWIG_fail’
30198 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetCorrectedForPH__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30213:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30213 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30213:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30213 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetCorrectedForPH(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30219:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30219 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetCorrectedForPH", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30219:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30219 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetCorrectedForPH", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30221:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30221:64: note: in expansion of macro ‘SWIG_fail’
30221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30223:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30223 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30223:64: note: in expansion of macro ‘SWIG_fail’
30223 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetSpinMultiplicityAssigned__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30238:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30238 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30238:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30238 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetSpinMultiplicityAssigned(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30245:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30245 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetSpinMultiplicityAssigned", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30245:108: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30245 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetSpinMultiplicityAssigned", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30247:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30247 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30247:64: note: in expansion of macro ‘SWIG_fail’
30247 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30249:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30249 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30249:64: note: in expansion of macro ‘SWIG_fail’
30249 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetIsPatternStructure__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30264:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30264 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30264:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30264 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetIsPatternStructure(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30272:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30272 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30272:64: note: in expansion of macro ‘SWIG_fail’
30272 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30274:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30274 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30274:64: note: in expansion of macro ‘SWIG_fail’
30274 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetIsReaction__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30289:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30289 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30289:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30289 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetIsReaction(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30295:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30295 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetIsReaction", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30295:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30295 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetIsReaction", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30297:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30297 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30297:64: note: in expansion of macro ‘SWIG_fail’
30297 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30299:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30299 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30299:64: note: in expansion of macro ‘SWIG_fail’
30299 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetPeriodicMol__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30314:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30314 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30314:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30314 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetPeriodicMol(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30320:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30320 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetPeriodicMol", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30320:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30320 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetPeriodicMol", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30322:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30322 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30322:64: note: in expansion of macro ‘SWIG_fail’
30322 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30324:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30324 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30324:64: note: in expansion of macro ‘SWIG_fail’
30324 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_RenumberAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30392:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30392 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_RenumberAtoms", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30392:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30392 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_RenumberAtoms", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30397:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30397 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30397:64: note: in expansion of macro ‘SWIG_fail’
30397 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_ToInertialFrame__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30416:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30416 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30416:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30416 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_ToInertialFrame__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30428:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30428 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30428:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30428 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_ToInertialFrame(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30434:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30434 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_ToInertialFrame", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30434:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30434 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_ToInertialFrame", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30436:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30436:64: note: in expansion of macro ‘SWIG_fail’
30436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30438:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30438 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30438:64: note: in expansion of macro ‘SWIG_fail’
30438 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Translate__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30457:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30457 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30457:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30457 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Translate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30471:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30471 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Translate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30471:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30471 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Translate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30473:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30473 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30473:64: note: in expansion of macro ‘SWIG_fail’
30473 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30475:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30475 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30475:64: note: in expansion of macro ‘SWIG_fail’
30475 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Rotate__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30503:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30503 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30503:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30503 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Rotate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30514:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30514 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Rotate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30514:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30514 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Rotate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30516:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30516 |     if (!_v) goto check_1; return _wrap_OBMol_Rotate__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30516:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30516 |     if (!_v) goto check_1; return _wrap_OBMol_Rotate__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30519:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30519 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30519:64: note: in expansion of macro ‘SWIG_fail’
30519 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Center__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30525:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30525 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30525:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30525 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteHydrogens__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30540:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30540 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30540:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30540 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteHydrogens(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30549:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30549 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteHydrogens", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30549:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30549 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteHydrogens", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30551:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30551:64: note: in expansion of macro ‘SWIG_fail’
30551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30553:64: note: in expansion of macro ‘SWIG_fail’
30553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddHydrogens__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30599:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30599 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30599:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30599 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddHydrogens__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30627:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30627 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30627:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30627 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddHydrogens(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30636:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30636 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddHydrogens", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30636:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30636 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddHydrogens", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30638:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30638 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30638:64: note: in expansion of macro ‘SWIG_fail’
30638 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30640:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30640 |     if (!_v) goto check_2; return _wrap_OBMol_AddHydrogens__SWIG_4(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30640:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30640 |     if (!_v) goto check_2; return _wrap_OBMol_AddHydrogens__SWIG_4(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30642:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30642 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30642:64: note: in expansion of macro ‘SWIG_fail’
30642 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30644:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30644 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30644:64: note: in expansion of macro ‘SWIG_fail’
30644 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30646:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30646 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30646:64: note: in expansion of macro ‘SWIG_fail’
30646 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddNewHydrogens__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30682:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30682 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30682:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30682 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddNewHydrogens(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30701 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddNewHydrogens", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30701:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30701 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddNewHydrogens", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30703:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30703 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30703:64: note: in expansion of macro ‘SWIG_fail’
30703 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30705:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30705 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30705:64: note: in expansion of macro ‘SWIG_fail’
30705 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30707:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30707 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30707:64: note: in expansion of macro ‘SWIG_fail’
30707 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_StripSalts(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30730:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30730 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_StripSalts", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30730:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30730 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_StripSalts", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30732:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30732 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30732:64: note: in expansion of macro ‘SWIG_fail’
30732 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30734:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30734 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30734:64: note: in expansion of macro ‘SWIG_fail’
30734 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Separate__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30741:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30741 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30741:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30741 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Separate__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30752:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30752 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30752:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30752 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Separate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30759:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30759 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Separate", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30759:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30759 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Separate", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30761:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30761:64: note: in expansion of macro ‘SWIG_fail’
30761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30763:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30763:64: note: in expansion of macro ‘SWIG_fail’
30763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_CopySubstructure__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30825:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30825 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30825:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30825 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_CopySubstructure__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30853:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30853 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30853:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30853 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_CopySubstructure(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30909:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30909 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_CopySubstructure", 0, 7, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30909:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30909 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_CopySubstructure", 0, 7, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30911:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30911 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30911:64: note: in expansion of macro ‘SWIG_fail’
30911 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30913:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30913 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30913:64: note: in expansion of macro ‘SWIG_fail’
30913 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30915:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30915 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30915:64: note: in expansion of macro ‘SWIG_fail’
30915 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 7) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30917:64: note: in expansion of macro ‘SWIG_fail’
30917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 7) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30919:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30919 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30919:64: note: in expansion of macro ‘SWIG_fail’
30919 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_CorrectForPH(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30966:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30966 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_CorrectForPH", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30966:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30966 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_CorrectForPH", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30968:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30968 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30968:64: note: in expansion of macro ‘SWIG_fail’
30968 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30970:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30970 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30970:64: note: in expansion of macro ‘SWIG_fail’
30970 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AssignSpinMultiplicity(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30993:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30993 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30993:64: note: in expansion of macro ‘SWIG_fail’
30993 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30995:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30995:64: note: in expansion of macro ‘SWIG_fail’
30995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Center(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31020:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31020 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Center", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31020:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31020 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Center", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31023:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31023 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31023:64: note: in expansion of macro ‘SWIG_fail’
31023 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindSSSR(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31053:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31053 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31053:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31053 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindLSSR(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31060:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31060 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31060:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31060 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindRingAtomsAndBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31067:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31067 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31067:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31067 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_ConnectTheDots(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31146:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31146 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31146:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31146 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_PerceiveBondOrders(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31153:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31153 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31153:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31153 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindAngles(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31160 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31160:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31160 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindTorsions(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31167:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31167 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31167:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31167 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Has2D__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31222:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31222 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31222:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31222 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Has2D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31228:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31228 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Has2D", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31228:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31228 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Has2D", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31231:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31231 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31231:64: note: in expansion of macro ‘SWIG_fail’
31231 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetEnergy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31473:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31473 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetEnergy", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31473:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31473 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetEnergy", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31475:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31475 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31475:64: note: in expansion of macro ‘SWIG_fail’
31475 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31477:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31477 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31477:64: note: in expansion of macro ‘SWIG_fail’
31477 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetTorsion__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31562:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31562 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31562:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31562 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31578:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31578 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetTorsion", 0, 6, argv))) SWIG_fail; --argc; if (argc == 6) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31578:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31578 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetTorsion", 0, 6, argv))) SWIG_fail; --argc; if (argc == 6) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31580:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31580 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31580:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31580 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31583:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31583 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31583:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31583 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31585:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31585 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_1: if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31585:64: note: in expansion of macro ‘SWIG_fail’
31585 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_1: if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31587:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31587 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31587:64: note: in expansion of macro ‘SWIG_fail’
31587 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_ThrowError__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31608:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31608 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31608:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31608 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_ThrowError(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31618:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31618 |   if (!(argc = SWIG_Python_UnpackTuple(args, "ThrowError", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31618:85: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31618 |   if (!(argc = SWIG_Python_UnpackTuple(args, "ThrowError", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) { int _v = 0; {
      |                                                                                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31622:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31622 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31622:64: note: in expansion of macro ‘SWIG_fail’
31622 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBRing__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31830:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31830 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBRing,  0  | 0);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31830:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31830 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBRing,  0  | 0);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31840:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31840 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31840:85: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31840 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31843:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31843 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31843:64: note: in expansion of macro ‘SWIG_fail’
31843 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31847:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31847 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31847:64: note: in expansion of macro ‘SWIG_fail’
31847 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRing_SetType__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31883:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31883 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31883:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31883 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRing_SetType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31897:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31897 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRing_SetType", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31897:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31897 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRing_SetType", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31901:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31901 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31901:64: note: in expansion of macro ‘SWIG_fail’
31901 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRing_IsMember(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31942:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31942 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRing_IsMember", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31942:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31942 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRing_IsMember", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31944:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31944 |     if (!_v) goto check_1; return _wrap_OBRing_IsMember__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31944:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31944 |     if (!_v) goto check_1; return _wrap_OBRing_IsMember__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31946:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31946 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31946:64: note: in expansion of macro ‘SWIG_fail’
31946 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32005:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32005 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32005:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32005 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBRTree(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32149:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32149 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32149:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32149 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSmartsPattern(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32212:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32212 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSmartsPattern", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32212:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32212 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSmartsPattern", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32214:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32214 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32214:64: note: in expansion of macro ‘SWIG_fail’
32214 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32216:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32216 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32216:64: note: in expansion of macro ‘SWIG_fail’
32216 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_Init__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32231:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32231 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32231:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32231 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_Init__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32244:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32244 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32244:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32244 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_Init(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32246:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32246 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_Init", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32246:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32246 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_Init", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32248:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32248 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_Init__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32248:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32248 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_Init__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32250:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32250 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32250:64: note: in expansion of macro ‘SWIG_fail’
32250 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_Match(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32428:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32428 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_Match", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32428:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32428 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_Match", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32430:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32430 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32430:64: note: in expansion of macro ‘SWIG_fail’
32430 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32434:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32434 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32434:64: note: in expansion of macro ‘SWIG_fail’
32434 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32436:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32436:64: note: in expansion of macro ‘SWIG_fail’
32436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_RestrictedMatch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32543:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32543 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_RestrictedMatch", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32543:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32543 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_RestrictedMatch", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32549:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32549 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32549:64: note: in expansion of macro ‘SWIG_fail’
32549 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32553:64: note: in expansion of macro ‘SWIG_fail’
32553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32555:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32555 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32555:64: note: in expansion of macro ‘SWIG_fail’
32555 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsMatcher_match(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32700:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32700 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsMatcher_match", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32700:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32700 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsMatcher_match", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32702:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32702 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32702:64: note: in expansion of macro ‘SWIG_fail’
32702 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32704:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32704 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32704:64: note: in expansion of macro ‘SWIG_fail’
32704 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBSSMatch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32738:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32738 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32738:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32738 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSSMatch_Match(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32776:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32776 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSSMatch_Match", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32776:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32776 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSSMatch_Match", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32778:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32778 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32778:64: note: in expansion of macro ‘SWIG_fail’
32778 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32780:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32780 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32780:64: note: in expansion of macro ‘SWIG_fail’
32780 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_AliasData_SetAlias__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32834:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32834 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32834:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32834 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_AliasData_SetAlias__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32844:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32844 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32844:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32844 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_AliasData_SetAlias(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32846:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32846 |   if (!(argc = SWIG_Python_UnpackTuple(args, "AliasData_SetAlias", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32846:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32846 |   if (!(argc = SWIG_Python_UnpackTuple(args, "AliasData_SetAlias", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32850:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32850 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32850:64: note: in expansion of macro ‘SWIG_fail’
32850 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_AliasData_GetAlias(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32872:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32872 |   if (!(argc = SWIG_Python_UnpackTuple(args, "AliasData_GetAlias", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32872:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32872 |   if (!(argc = SWIG_Python_UnpackTuple(args, "AliasData_GetAlias", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32874:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32874 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32874:64: note: in expansion of macro ‘SWIG_fail’
32874 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32876:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32876 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32876:64: note: in expansion of macro ‘SWIG_fail’
32876 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_AliasData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32930:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32930 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32930:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32930 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32961:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32961 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32961:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32961 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_GetBit(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33005:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33005 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33005:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33005 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_GetFingerprint(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33064:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33064 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33064:64: note: in expansion of macro ‘SWIG_fail’
33064 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33066:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33066 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33066:64: note: in expansion of macro ‘SWIG_fail’
33066 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_DescribeBits(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33119:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33119:64: note: in expansion of macro ‘SWIG_fail’
33119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33121:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33121:64: note: in expansion of macro ‘SWIG_fail’
33121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_Tanimoto__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33144:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33144 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33144:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33144 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33145:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33145 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33145:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33145 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_Tanimoto__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33149:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33149 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33149:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33149 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33160 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33160:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33160 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_Tanimoto(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33162:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33162 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFingerprint_Tanimoto", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33162:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33162 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFingerprint_Tanimoto", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33166:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33166 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33166:64: note: in expansion of macro ‘SWIG_fail’
33166 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_FindFingerprint(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33184:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33184 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33184:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33184 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FptIndexHeader_fpid_set(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33256:3: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation]
33256 |   else memset(arg1->fpid,0,15*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33256:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’
33256 |   else memset(arg1->fpid,0,15*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |                                              ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FptIndexHeader_datafilename_set(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33293:3: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation]
33293 |   else memset(arg1->datafilename,0,256*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33293:55: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’
33293 |   else memset(arg1->datafilename,0,256*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |                                                       ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FastSearch_FindSimilar(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33477:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33477 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FastSearch_FindSimilar", 0, 5, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33477:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33477 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FastSearch_FindSimilar", 0, 5, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33479:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33479 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33479:64: note: in expansion of macro ‘SWIG_fail’
33479 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33483:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33483:64: note: in expansion of macro ‘SWIG_fail’
33483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33485:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33485 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33485:64: note: in expansion of macro ‘SWIG_fail’
33485 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_FastSearchIndexer__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33530:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33530 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_std__string,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33530:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33530 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_std__string,  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_FastSearchIndexer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33621:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33621 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_FastSearchIndexer", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33621:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33621 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_FastSearchIndexer", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33623:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33623:64: note: in expansion of macro ‘SWIG_fail’
33623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33625:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33625 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33625:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33625 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33628:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33628 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33628:64: note: in expansion of macro ‘SWIG_fail’
33628 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33630:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33630 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33630:64: note: in expansion of macro ‘SWIG_fail’
33630 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33632:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33632 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33632:64: note: in expansion of macro ‘SWIG_fail’
33632 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBDescriptor__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33692:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33692 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33692:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33692 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBDescriptor__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33700:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33700 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33700:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33700 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBDescriptor(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33702:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33702 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBDescriptor", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33702:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33702 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBDescriptor", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33704:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33704 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33704:64: note: in expansion of macro ‘SWIG_fail’
33704 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33706:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33706 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33706:64: note: in expansion of macro ‘SWIG_fail’
33706 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33718:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33718 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33718:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33718 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Predict(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33746:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33746 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Predict", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33746:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33746 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Predict", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33748:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33748 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33748:64: note: in expansion of macro ‘SWIG_fail’
33748 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33750:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33750 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33750:64: note: in expansion of macro ‘SWIG_fail’
33750 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_PredictAndSave(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33783:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33783 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33783:64: note: in expansion of macro ‘SWIG_fail’
33783 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33785:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33785 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33785:64: note: in expansion of macro ‘SWIG_fail’
33785 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_GetStringValue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33828:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33828 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33828:64: note: in expansion of macro ‘SWIG_fail’
33828 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33830:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33830 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33830:64: note: in expansion of macro ‘SWIG_fail’
33830 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Compare(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33878:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33878 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Compare", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33878:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33878 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Compare", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33880:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33880 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33880:64: note: in expansion of macro ‘SWIG_fail’
33880 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33882:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33882 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33882:64: note: in expansion of macro ‘SWIG_fail’
33882 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Display__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33907:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33907 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33907:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33907 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33908:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33908 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33908:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33908 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Display__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33925:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33925 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33925:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33925 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Display(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33927:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33929:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33929:64: note: in expansion of macro ‘SWIG_fail’
33929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33931:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33931:64: note: in expansion of macro ‘SWIG_fail’
33931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Order(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33962:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33962 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Order", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33962:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33962 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Order", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) { int _v = 0;
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33967:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33967:64: note: in expansion of macro ‘SWIG_fail’
33967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_AddProperties(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33998:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33998 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33998:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33998 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_DeleteProperties(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:34011:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34011 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:34011:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34011 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35432:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35432 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35432:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35432 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FindForceField__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35451:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35451 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35451:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35451 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35458:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35458 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35458:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35458 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FindForceField__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35467:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35467 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35467:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35467 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FindForceField(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35471:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35471 |     if (!_v) goto check_1; return _wrap_OBForceField_FindForceField__SWIG_0(self, argc, argv);}  check_1: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35471:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35471 |     if (!_v) goto check_1; return _wrap_OBForceField_FindForceField__SWIG_0(self, argc, argv);}  check_1: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35473:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35473 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35473:64: note: in expansion of macro ‘SWIG_fail’
35473 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SetParameterFile(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35489:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35489 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35489:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35489 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_Setup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35536:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35536 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_Setup", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35536:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35536 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_Setup", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35538:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35538 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35538:64: note: in expansion of macro ‘SWIG_fail’
35538 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35540:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35540 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35540:64: note: in expansion of macro ‘SWIG_fail’
35540 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_GetGrid(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35721:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35721 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35721:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35721 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_GetGradient(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35935:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35935 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35935:64: note: in expansion of macro ‘SWIG_fail’
35935 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35937:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35937 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35937:64: note: in expansion of macro ‘SWIG_fail’
35937 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_Energy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35966:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35966 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_Energy", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35966:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35966 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_Energy", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35968:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35968 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35968:64: note: in expansion of macro ‘SWIG_fail’
35968 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35970:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35970 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35970:64: note: in expansion of macro ‘SWIG_fail’
35970 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_Bond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35992:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35992 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Bond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35992:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35992 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Bond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35994:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35994 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35994:64: note: in expansion of macro ‘SWIG_fail’
35994 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35996:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35996 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35996:64: note: in expansion of macro ‘SWIG_fail’
35996 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_Angle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36018:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36018 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Angle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36018:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36018 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Angle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36020:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36020:64: note: in expansion of macro ‘SWIG_fail’
36020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36022:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36022 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36022:64: note: in expansion of macro ‘SWIG_fail’
36022 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_StrBnd(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36044:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36044 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_StrBnd", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36044:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36044 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_StrBnd", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36046:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36046:64: note: in expansion of macro ‘SWIG_fail’
36046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36048:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36048 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36048:64: note: in expansion of macro ‘SWIG_fail’
36048 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_Torsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36070:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36070 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Torsion", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36070:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36070 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Torsion", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36072:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36072 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36072:64: note: in expansion of macro ‘SWIG_fail’
36072 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36074:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36074 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36074:64: note: in expansion of macro ‘SWIG_fail’
36074 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_OOP(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36096:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36096 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_OOP", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36096:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36096 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_OOP", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36098:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36098 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36098:64: note: in expansion of macro ‘SWIG_fail’
36098 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36100:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36100 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36100:64: note: in expansion of macro ‘SWIG_fail’
36100 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_VDW(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36122:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36122 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_VDW", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36122:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36122 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_VDW", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36124:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36124 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36124:64: note: in expansion of macro ‘SWIG_fail’
36124 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36126:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36126 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36126:64: note: in expansion of macro ‘SWIG_fail’
36126 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_Electrostatic(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36150:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36150:64: note: in expansion of macro ‘SWIG_fail’
36150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36152:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36152 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36152:64: note: in expansion of macro ‘SWIG_fail’
36152 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_OBFFLog__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36233:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36233 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36233:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36233 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_OBFFLog(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36235:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36235 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_OBFFLog", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36235:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36235 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_OBFFLog", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36237:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36237 |     if (!_v) goto check_1; return _wrap_OBForceField_OBFFLog__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36237:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36237 |     if (!_v) goto check_1; return _wrap_OBForceField_OBFFLog__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36239:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36239:64: note: in expansion of macro ‘SWIG_fail’
36239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SystematicRotorSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36282:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36282 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearch", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36282:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36282 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearch", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36284:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36284:64: note: in expansion of macro ‘SWIG_fail’
36284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36286:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36286 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36286:64: note: in expansion of macro ‘SWIG_fail’
36286 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36288:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36288 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36288:64: note: in expansion of macro ‘SWIG_fail’
36288 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SystematicRotorSearchInitialize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36325:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36325 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearchInitialize", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36325:119: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36325 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearchInitialize", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36327:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36327 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36327:64: note: in expansion of macro ‘SWIG_fail’
36327 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36329:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36329 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36329:64: note: in expansion of macro ‘SWIG_fail’
36329 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36331:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36331 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36331:64: note: in expansion of macro ‘SWIG_fail’
36331 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SystematicRotorSearchNextConformer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36355:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36355 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearchNextConformer", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36355:122: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36355 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearchNextConformer", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36357:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36357 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36357:64: note: in expansion of macro ‘SWIG_fail’
36357 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36359:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36359:64: note: in expansion of macro ‘SWIG_fail’
36359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_RandomRotorSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36403:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36403 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearch", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36403:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36403 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearch", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36405:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36405 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36405:64: note: in expansion of macro ‘SWIG_fail’
36405 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36407:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36407 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36407:64: note: in expansion of macro ‘SWIG_fail’
36407 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36409:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36409 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36409:64: note: in expansion of macro ‘SWIG_fail’
36409 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_RandomRotorSearchInitialize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36454:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36454 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearchInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36454:115: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36454 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearchInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                                   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36456:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36456 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36456:64: note: in expansion of macro ‘SWIG_fail’
36456 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36458:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36458 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36458:64: note: in expansion of macro ‘SWIG_fail’
36458 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36460:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36460 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36460:64: note: in expansion of macro ‘SWIG_fail’
36460 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_RandomRotorSearchNextConformer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36485:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36485 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearchNextConformer", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36485:118: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36485 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearchNextConformer", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36487:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36487 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36487:64: note: in expansion of macro ‘SWIG_fail’
36487 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36489:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36489:64: note: in expansion of macro ‘SWIG_fail’
36489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_WeightedRotorSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36523:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36523 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_WeightedRotorSearch", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36523:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36523 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_WeightedRotorSearch", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36525:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36525:64: note: in expansion of macro ‘SWIG_fail’
36525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36527:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36527 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36527:64: note: in expansion of macro ‘SWIG_fail’
36527 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FastRotorSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36551:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36551:64: note: in expansion of macro ‘SWIG_fail’
36551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36553:64: note: in expansion of macro ‘SWIG_fail’
36553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_DiverseConfGen(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36615:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36615 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36615:64: note: in expansion of macro ‘SWIG_fail’
36615 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36617:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36617 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36617:64: note: in expansion of macro ‘SWIG_fail’
36617 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36619:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36619 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36619:64: note: in expansion of macro ‘SWIG_fail’
36619 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36621:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36621 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36621:64: note: in expansion of macro ‘SWIG_fail’
36621 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_LineSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36678:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36678 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_LineSearch", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36678:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36678 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_LineSearch", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36682:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36682 |      if (!_v) goto check_1; return _wrap_OBForceField_LineSearch__SWIG_0(self, argc, argv);}  check_1: if (argc == 3) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36682:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36682 |      if (!_v) goto check_1; return _wrap_OBForceField_LineSearch__SWIG_0(self, argc, argv);}  check_1: if (argc == 3) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36684:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36684 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36684:64: note: in expansion of macro ‘SWIG_fail’
36684 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SteepestDescent(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36757:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36757 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36757:64: note: in expansion of macro ‘SWIG_fail’
36757 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36759:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36759 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36759:64: note: in expansion of macro ‘SWIG_fail’
36759 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36761:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36761:64: note: in expansion of macro ‘SWIG_fail’
36761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SteepestDescentInitialize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36813:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36813 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SteepestDescentInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36813:113: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36813 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SteepestDescentInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36815:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36815 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36815:64: note: in expansion of macro ‘SWIG_fail’
36815 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36817:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36817 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36817:64: note: in expansion of macro ‘SWIG_fail’
36817 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36819:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36819 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36819:64: note: in expansion of macro ‘SWIG_fail’
36819 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36821:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36821 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36821:64: note: in expansion of macro ‘SWIG_fail’
36821 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_ConjugateGradients(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36878:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36878 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_ConjugateGradients", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36878:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36878 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_ConjugateGradients", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36880:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36880 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36880:64: note: in expansion of macro ‘SWIG_fail’
36880 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36882:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36882 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36882:64: note: in expansion of macro ‘SWIG_fail’
36882 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36884:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36884 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36884:64: note: in expansion of macro ‘SWIG_fail’
36884 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_ConjugateGradientsInitialize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36936:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36936 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_ConjugateGradientsInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36936:116: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36936 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_ConjugateGradientsInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36938:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36938 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36938:64: note: in expansion of macro ‘SWIG_fail’
36938 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36940:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36940 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36940:64: note: in expansion of macro ‘SWIG_fail’
36940 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36942:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36942 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36942:64: note: in expansion of macro ‘SWIG_fail’
36942 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36944:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36944 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36944:64: note: in expansion of macro ‘SWIG_fail’
36944 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_MolecularDynamicsTakeNSteps(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37022:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37022 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_MolecularDynamicsTakeNSteps", 0, 5, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37022:115: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37022 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_MolecularDynamicsTakeNSteps", 0, 5, argv))) SWIG_fail; --argc;
      |                                                                                                                   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37024:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37024 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37024:64: note: in expansion of macro ‘SWIG_fail’
37024 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37026:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37026 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37026:64: note: in expansion of macro ‘SWIG_fail’
37026 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37028:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37028 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37028:64: note: in expansion of macro ‘SWIG_fail’
37028 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_IgnoreCalculation(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37124:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37124 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_IgnoreCalculation", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37124:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37124 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_IgnoreCalculation", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37126:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37126 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37126:64: note: in expansion of macro ‘SWIG_fail’
37126 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37128:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37128 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37128:64: note: in expansion of macro ‘SWIG_fail’
37128 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37130:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37130 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37130:64: note: in expansion of macro ‘SWIG_fail’
37130 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorAngleDerivative__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37298:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37298 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37298:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37298 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorAngleDerivative(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37318:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37318 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorAngleDerivative", 0, 6, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37318:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37318 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorAngleDerivative", 0, 6, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37320:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37320 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37320:64: note: in expansion of macro ‘SWIG_fail’
37320 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37322:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37322 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37322:64: note: in expansion of macro ‘SWIG_fail’
37322 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorOOPDerivative__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37334:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37334 |   if ((nobjs < 8) || (nobjs > 8)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37334:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37334 |   if ((nobjs < 8) || (nobjs > 8)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorOOPDerivative(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37389:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37389 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorOOPDerivative", 0, 8, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37389:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37389 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorOOPDerivative", 0, 8, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37391:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37391 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 8) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37391:64: note: in expansion of macro ‘SWIG_fail’
37391 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 8) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37393:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37393 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37393:64: note: in expansion of macro ‘SWIG_fail’
37393 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorTorsionDerivative__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37405:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37405 |   if ((nobjs < 8) || (nobjs > 8)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37405:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37405 |   if ((nobjs < 8) || (nobjs > 8)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorTorsionDerivative(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37460:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37460 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorTorsionDerivative", 0, 8, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37460:111: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37460 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorTorsionDerivative", 0, 8, argv))) SWIG_fail; --argc;
      |                                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37462:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37462 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 8) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37462:64: note: in expansion of macro ‘SWIG_fail’
37462 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 8) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37464:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37464 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37464:64: note: in expansion of macro ‘SWIG_fail’
37464 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorLength(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37552:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37552 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37552:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37552 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_Build(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37710:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37710 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBuilder_Build", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37710:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37710 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBuilder_Build", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37712:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37712 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37712:64: note: in expansion of macro ‘SWIG_fail’
37712 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37714:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37714 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37714:64: note: in expansion of macro ‘SWIG_fail’
37714 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_SetKeepRings(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37720:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37720 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37720:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37720 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_UnsetKeepRings(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37727:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37727:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_AddRingFragment(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37752:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37752 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37752:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37752 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_LoadFragments(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37755:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37755 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37755:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37755 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_GetNewBondVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37794:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37794:64: note: in expansion of macro ‘SWIG_fail’
37794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37796:64: note: in expansion of macro ‘SWIG_fail’
37796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_Connect__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37844:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37844 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37844:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37844 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_Connect(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37871:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37871 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBuilder_Connect", 0, 5, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37871:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37871 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBuilder_Connect", 0, 5, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37873:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37873 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37873:64: note: in expansion of macro ‘SWIG_fail’
37873 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37875:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37875 |      if (!_v) goto check_2; return _wrap_OBBuilder_Connect__SWIG_1(self, argc, argv);}  check_2: if (argc == 4) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37875:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37875 |      if (!_v) goto check_2; return _wrap_OBBuilder_Connect__SWIG_1(self, argc, argv);}  check_2: if (argc == 4) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37877:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37877 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37877:64: note: in expansion of macro ‘SWIG_fail’
37877 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37879:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37879:64: note: in expansion of macro ‘SWIG_fail’
37879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_CorrectStereoBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37906:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37906 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37906:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37906 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_CorrectStereoAtoms__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37926:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37926 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37926:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37926 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_CorrectStereoAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37936:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37936 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37936:64: note: in expansion of macro ‘SWIG_fail’
37936 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37938:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37938 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37938:64: note: in expansion of macro ‘SWIG_fail’
37938 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBBuilder(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37977:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37977 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37977:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37977 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38001:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38001 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38001:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38001 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38006:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38006 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38006:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38006 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_Do__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38012:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38012 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38012:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38012 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38030:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38030 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38030:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38030 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_Do__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38035:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38035 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38035:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38035 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38050:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38050 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38050:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38050 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_Do__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38065:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38065 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38065:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38065 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_Do(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38077:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38077 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOp_Do", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38077:82: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38077 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOp_Do", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38080:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38080:64: note: in expansion of macro ‘SWIG_fail’
38080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38083 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38083:64: note: in expansion of macro ‘SWIG_fail’
38083 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBOp(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38142:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38142 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38142:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38142 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBChargeModel__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38169:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38169 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38169:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38169 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBChargeModel__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38178:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38178 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38178:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38178 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBChargeModel(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38180:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38180 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBChargeModel", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38180:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38180 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBChargeModel", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38182:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38182 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38182:64: note: in expansion of macro ‘SWIG_fail’
38182 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38184:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38184 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38184:64: note: in expansion of macro ‘SWIG_fail’
38184 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChargeModel_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38196:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38196 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38196:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38196 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChargeModel_ComputeCharges__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38226:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38226 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38226:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38226 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChargeModel_ComputeCharges(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38230:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38230 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38230:64: note: in expansion of macro ‘SWIG_fail’
38230 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38232:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38232 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38232:64: note: in expansion of macro ‘SWIG_fail’
38232 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChemTsfm_Init(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38317:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38317 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38317:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38317 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38318:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38318 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38318:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38318 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBPhModel(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38364:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38364 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38364:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38364 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPhModel_CorrectForPH(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38412:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38412 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPhModel_CorrectForPH", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38412:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38412 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPhModel_CorrectForPH", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38414:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38414 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38414:64: note: in expansion of macro ‘SWIG_fail’
38414 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38416:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38416 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38416:64: note: in expansion of macro ‘SWIG_fail’
38416 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBGraphSym(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38453:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38453 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBGraphSym", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38453:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38453 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBGraphSym", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38455:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38455 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38455:64: note: in expansion of macro ‘SWIG_fail’
38455 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38457:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38457 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38457:64: note: in expansion of macro ‘SWIG_fail’
38457 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_GetInstance__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38517:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38517 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38517:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38517 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38528:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38528 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38528:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38528 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_GetInstance(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38540:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38540 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_GetInstance", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38540:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38540 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_GetInstance", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38542:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38542 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38542:64: note: in expansion of macro ‘SWIG_fail’
38542 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38544:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38544 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38544:64: note: in expansion of macro ‘SWIG_fail’
38544 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_MapFirst(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38594:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38594 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38594:64: note: in expansion of macro ‘SWIG_fail’
38594 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38596:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38596 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38596:64: note: in expansion of macro ‘SWIG_fail’
38596 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_MapUnique(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38646:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38646 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_MapUnique", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38646:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38646 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_MapUnique", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38648:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38648 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38648:64: note: in expansion of macro ‘SWIG_fail’
38648 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38650:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38650 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38650:64: note: in expansion of macro ‘SWIG_fail’
38650 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_MapAll(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38729:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38729 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38729:64: note: in expansion of macro ‘SWIG_fail’
38729 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38731:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38731 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38731:64: note: in expansion of macro ‘SWIG_fail’
38731 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38733:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38733 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38733:64: note: in expansion of macro ‘SWIG_fail’
38733 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_MapGeneric(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38782:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38782 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_MapGeneric", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38782:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38782 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_MapGeneric", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38784:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38784 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38784:64: note: in expansion of macro ‘SWIG_fail’
38784 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38786:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38786 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38786:64: note: in expansion of macro ‘SWIG_fail’
38786 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_MapsTo(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38813:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38813 |   if (!SWIG_Python_UnpackTuple(args, "MapsTo", 3, 3, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38813:76: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38813 |   if (!SWIG_Python_UnpackTuple(args, "MapsTo", 3, 3, swig_obj)) SWIG_fail; {
      |                                                                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38829:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38829 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38829:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38829 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38863:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38863 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38863:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38863 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38894:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38894 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38894:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38894 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38919:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38919 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38919:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38919 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38925:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38925 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38925:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38925 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_5(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38972:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38972 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38972:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38972 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_6(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39011:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39011 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39011:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39011 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_7(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39032:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39032 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39032:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39032 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39034:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39034 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FindAutomorphisms", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39034:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39034 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FindAutomorphisms", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39036:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39036 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39036:64: note: in expansion of macro ‘SWIG_fail’
39036 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39038:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39038 |     if (!_v) goto check_2; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39038:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39038 |     if (!_v) goto check_2; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39047:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39047 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39047:64: note: in expansion of macro ‘SWIG_fail’
39047 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39049:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39049 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39049:64: note: in expansion of macro ‘SWIG_fail’
39049 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39051:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39051 |     if (!_v) goto check_5; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39051:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39051 |     if (!_v) goto check_5; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39061:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39061 |     if (!_v) goto check_6; PyObject *retobj = _wrap_FindAutomorphisms__SWIG_6(self, argc, argv);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39061:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39061 |     if (!_v) goto check_6; PyObject *retobj = _wrap_FindAutomorphisms__SWIG_6(self, argc, argv);
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39062:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39062 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_6: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39062:64: note: in expansion of macro ‘SWIG_fail’
39062 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_6: if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39064:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39064 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39064:64: note: in expansion of macro ‘SWIG_fail’
39064 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39066:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39066 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39066:64: note: in expansion of macro ‘SWIG_fail’
39066 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBQueryAtom__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39102:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39102 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39102:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39102 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBQueryAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39113:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39113 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBQueryAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39113:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39113 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBQueryAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39115:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39115 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39115:64: note: in expansion of macro ‘SWIG_fail’
39115 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39117:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39117 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39117:64: note: in expansion of macro ‘SWIG_fail’
39117 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39119:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39119:64: note: in expansion of macro ‘SWIG_fail’
39119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39121:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39121:64: note: in expansion of macro ‘SWIG_fail’
39121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBQueryAtom_GetBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39145:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39145 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39145:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39145 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBQueryAtom_GetNbrs(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39155:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39155 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39155:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39155 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBQueryBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39233:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39233 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBQueryBond", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39233:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39233 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBQueryBond", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39235:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39235 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39235:64: note: in expansion of macro ‘SWIG_fail’
39235 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39237:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39237 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39237:64: note: in expansion of macro ‘SWIG_fail’
39237 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39239:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39239:64: note: in expansion of macro ‘SWIG_fail’
39239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBQuery(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39304:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39304 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39304:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39304 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBQuery_GetAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39328:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39328 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39328:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39328 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBQuery_GetBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39338:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39338 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39338:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39338 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileMoleculeQuery__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39403:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39403 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39403:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39403 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileMoleculeQuery(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39424:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39424 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CompileMoleculeQuery", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39424:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39424 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CompileMoleculeQuery", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39426:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39426 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39426:64: note: in expansion of macro ‘SWIG_fail’
39426 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39428:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39428 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39428:64: note: in expansion of macro ‘SWIG_fail’
39428 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileSmilesQuery__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39447:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39447 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39447:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39447 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileSmilesQuery__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39450:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39450 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39450:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39450 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39457:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39457 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39457:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39457 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileSmilesQuery(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39459:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39459 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CompileSmilesQuery", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39459:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39459 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CompileSmilesQuery", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39461:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39461 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39461:64: note: in expansion of macro ‘SWIG_fail’
39461 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39463:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39463 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39463:64: note: in expansion of macro ‘SWIG_fail’
39463 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39499:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39499 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39499:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39499 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39530:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39530 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39530:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39530 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39536:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39536 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39536:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39536 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39558:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39558 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39558:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39558 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39580:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39580 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39580:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39580 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39582:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39582 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CanonicalLabels", 0, 6, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39582:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39582 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CanonicalLabels", 0, 6, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39584:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39584:64: note: in expansion of macro ‘SWIG_fail’
39584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39586:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39586 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39586:64: note: in expansion of macro ‘SWIG_fail’
39586 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39588:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39588 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39588:64: note: in expansion of macro ‘SWIG_fail’
39588 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39590:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39590 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39590:64: note: in expansion of macro ‘SWIG_fail’
39590 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_MakeRefs__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39602:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39602 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_long(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39602:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39602 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_long(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_MakeRefs(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39632:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39632 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBStereo_MakeRefs", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39632:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39632 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBStereo_MakeRefs", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39634:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39634 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39634:64: note: in expansion of macro ‘SWIG_fail’
39634 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39636:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39636:64: note: in expansion of macro ‘SWIG_fail’
39636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_ContainsSameRefs(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39644:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39644 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_ContainsSameRefs", 2, 2, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39644:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39644 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_ContainsSameRefs", 2, 2, swig_obj)) SWIG_fail; {
      |                                                                                               ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39659:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39659 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39659:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39659 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39660:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39660 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39660:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39660 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_ContainsRef(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39664:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39664 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_ContainsRef", 2, 2, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39664:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39664 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_ContainsRef", 2, 2, swig_obj)) SWIG_fail; {
      |                                                                                          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39675:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39675 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39675:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39675 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_NumInversions(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39678:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39678 |   if (!args) SWIG_fail; swig_obj[0] = args; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39678:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39678 |   if (!args) SWIG_fail; swig_obj[0] = args; {
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39687:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39687 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39687:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39687 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_Permutated(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39706:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39706 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_Permutated", 3, 3, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39706:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39706 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_Permutated", 3, 3, swig_obj)) SWIG_fail; {
      |                                                                                         ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39719:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39719 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39719:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39719 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBStereo(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39727:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39727:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStereoUnit__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39751:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39751 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39751:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39751 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStereoUnit__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39764:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39764 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39764:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39764 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStereoUnit(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39773:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39773 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBStereoUnit", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39773:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39773 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBStereoUnit", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39775:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39775 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39775:64: note: in expansion of macro ‘SWIG_fail’
39775 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39777:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39777 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39777:64: note: in expansion of macro ‘SWIG_fail’
39777 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39779:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39779 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39779:64: note: in expansion of macro ‘SWIG_fail’
39779 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStereoFacade(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39928:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39928 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBStereoFacade", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39928:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39928 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBStereoFacade", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39930:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39930 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39930:64: note: in expansion of macro ‘SWIG_fail’
39930 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39932:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39932 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39932:64: note: in expansion of macro ‘SWIG_fail’
39932 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_PerceiveStereo__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40083:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40083 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40083:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40083 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_PerceiveStereo(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40089:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40089 |   if (!(argc = SWIG_Python_UnpackTuple(args, "PerceiveStereo", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40089:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40089 |   if (!(argc = SWIG_Python_UnpackTuple(args, "PerceiveStereo", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40091:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40091:64: note: in expansion of macro ‘SWIG_fail’
40091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40093:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40093 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40093:64: note: in expansion of macro ‘SWIG_fail’
40093 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom2D__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40101:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40101 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40101:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40101 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom2D__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40129:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40129 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40129:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40129 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom2D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40135:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40135 |   if (!(argc = SWIG_Python_UnpackTuple(args, "StereoFrom2D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40135:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40135 |   if (!(argc = SWIG_Python_UnpackTuple(args, "StereoFrom2D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40138:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40138 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40138:64: note: in expansion of macro ‘SWIG_fail’
40138 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom3D__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40157:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40157 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40157:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40157 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom3D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40163:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40163 |   if (!(argc = SWIG_Python_UnpackTuple(args, "StereoFrom3D", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40163:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40163 |   if (!(argc = SWIG_Python_UnpackTuple(args, "StereoFrom3D", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40166:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40166 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40166:64: note: in expansion of macro ‘SWIG_fail’
40166 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom0D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40172:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40172 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40172:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40172 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_TetrahedralFrom3D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40215:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40215 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom3D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40215:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40215 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom3D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40217:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40217 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40217:64: note: in expansion of macro ‘SWIG_fail’
40217 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40219:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40219 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40219:64: note: in expansion of macro ‘SWIG_fail’
40219 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_TetrahedralFrom2D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40262:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40262 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom2D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40262:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40262 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom2D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40264:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40264 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40264:64: note: in expansion of macro ‘SWIG_fail’
40264 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40266:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40266:64: note: in expansion of macro ‘SWIG_fail’
40266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_TetrahedralFrom0D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40309:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40309 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom0D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40309:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40309 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom0D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40311:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40311 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40311:64: note: in expansion of macro ‘SWIG_fail’
40311 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40313:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40313 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40313:64: note: in expansion of macro ‘SWIG_fail’
40313 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CisTransFrom3D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40356:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40356 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom3D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40356:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40356 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom3D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40358:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40358 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40358:64: note: in expansion of macro ‘SWIG_fail’
40358 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40360:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40360 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40360:64: note: in expansion of macro ‘SWIG_fail’
40360 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CisTransFrom2D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40433:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40433 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom2D", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40433:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40433 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom2D", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40435:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40435 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40435:64: note: in expansion of macro ‘SWIG_fail’
40435 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40437:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40437 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40437:64: note: in expansion of macro ‘SWIG_fail’
40437 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40439:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40439 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40439:64: note: in expansion of macro ‘SWIG_fail’
40439 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CisTransFrom0D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40549:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40549 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom0D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40549:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40549 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom0D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40551:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40551:64: note: in expansion of macro ‘SWIG_fail’
40551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40553:64: note: in expansion of macro ‘SWIG_fail’
40553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindStereogenicUnits__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40563:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40563 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40563:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40563 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40575:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40575 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40575:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40575 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindStereogenicUnits__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40581:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40581 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40581:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40581 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40599:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40599 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40599:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40599 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40600:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40600 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40600:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40600 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindStereogenicUnits(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40602:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40602 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FindStereogenicUnits", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40602:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40602 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FindStereogenicUnits", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40604:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40604 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40604:64: note: in expansion of macro ‘SWIG_fail’
40604 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40606:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40606 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40606:64: note: in expansion of macro ‘SWIG_fail’
40606 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBRotorRule(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40632:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40632 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40632:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40632 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBRotor(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40797:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40797 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40797:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40797 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_SetRings(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40815:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40815 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40815:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40815 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_SetDihedralAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40856:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40856 |      if (!_v) goto check_1; return _wrap_OBRotor_SetDihedralAtoms__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40856:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40856 |      if (!_v) goto check_1; return _wrap_OBRotor_SetDihedralAtoms__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40858:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40858 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40858:64: note: in expansion of macro ‘SWIG_fail’
40858 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_SetRotor__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40932:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40932 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40932:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40932 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_SetRotor(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40943:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40943 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotor_SetRotor", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40943:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40943 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotor_SetRotor", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40945:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40945 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40945:64: note: in expansion of macro ‘SWIG_fail’
40945 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40947:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40947 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40947:64: note: in expansion of macro ‘SWIG_fail’
40947 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_Set__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40955:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40955 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40955:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40955 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_Set__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40985:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40985 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40985:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40985 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_Set__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41011:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41011 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41011:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41011 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_Set(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41024:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41024 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotor_Set", 0, 6, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41024:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41024 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotor_Set", 0, 6, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41027:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41027 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41027:64: note: in expansion of macro ‘SWIG_fail’
41027 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_GetDihedralAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41077:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41077 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41077:64: note: in expansion of macro ‘SWIG_fail’
41077 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41079:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41079 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41079:64: note: in expansion of macro ‘SWIG_fail’
41079 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotorList_Setup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41339:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41339 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotorList_Setup", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41339:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41339 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotorList_Setup", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41341:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41341:64: note: in expansion of macro ‘SWIG_fail’
41341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41343:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41343 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41343:64: note: in expansion of macro ‘SWIG_fail’
41343 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotorList_FindRotors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41422:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41422 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotorList_FindRotors", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41422:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41422 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotorList_FindRotors", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41424:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41424 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41424:64: note: in expansion of macro ‘SWIG_fail’
41424 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41426:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41426 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41426:64: note: in expansion of macro ‘SWIG_fail’
41426 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotorList_BeginRotors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41489:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41489 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41489:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41489 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotorList_EndRotors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41498:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41498 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41498:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41498 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_rotor_digit(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41582:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41582 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_rotor_digit", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41582:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41582 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_rotor_digit", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41584:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41584:64: note: in expansion of macro ‘SWIG_fail’
41584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41586:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41586 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41586:64: note: in expansion of macro ‘SWIG_fail’
41586 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_Setup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41765:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41765 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotamerList_Setup", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41765:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41765 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotamerList_Setup", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41767:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41767:64: note: in expansion of macro ‘SWIG_fail’
41767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41769:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41769 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41769:64: note: in expansion of macro ‘SWIG_fail’
41769 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_AddRotamer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41835:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41835 |     if (!_v) goto check_1; return _wrap_OBRotamerList_AddRotamer__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41835:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41835 |     if (!_v) goto check_1; return _wrap_OBRotamerList_AddRotamer__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41837:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41837 |     if (!_v) goto check_2; return _wrap_OBRotamerList_AddRotamer__SWIG_1(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41837:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41837 |     if (!_v) goto check_2; return _wrap_OBRotamerList_AddRotamer__SWIG_1(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41841:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41841 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41841:64: note: in expansion of macro ‘SWIG_fail’
41841 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_BeginRotamer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41874:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41874 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41874:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41874 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_EndRotamer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41883:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41883 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41883:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41883 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_SetBaseCoordinateSets(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41977:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41977 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotamerList_SetBaseCoordinateSets", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41977:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41977 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotamerList_SetBaseCoordinateSets", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41979:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41979 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41979:64: note: in expansion of macro ‘SWIG_fail’
41979 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41981:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41981 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41981:64: note: in expansion of macro ‘SWIG_fail’
41981 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSpectrophore(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42042:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42042 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSpectrophore", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42042:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42042 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSpectrophore", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42044:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42044:64: note: in expansion of macro ‘SWIG_fail’
42044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42046:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42046:64: note: in expansion of macro ‘SWIG_fail’
42046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSpectrophore_SetResolution(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42078:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42078 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42078:64: note: in expansion of macro ‘SWIG_fail’
42078 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42080:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42080:64: note: in expansion of macro ‘SWIG_fail’
42080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSpectrophore_SetAccuracy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42105:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42105:64: note: in expansion of macro ‘SWIG_fail’
42105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42107:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42107:64: note: in expansion of macro ‘SWIG_fail’
42107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSpectrophore_SetStereo(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42133:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42133 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42133:64: note: in expansion of macro ‘SWIG_fail’
42133 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42135:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42135 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42135:64: note: in expansion of macro ‘SWIG_fail’
42135 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSpectrophore_SetNormalization(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42160 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSpectrophore_SetNormalization", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42160:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42160 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSpectrophore_SetNormalization", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42162:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42162 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42162:64: note: in expansion of macro ‘SWIG_fail’
42162 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42164:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42164 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42164:64: note: in expansion of macro ‘SWIG_fail’
42164 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerFilter_IsGood(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42248:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42248 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42248:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42248 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStericConformerFilter__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42306:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42306 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42306:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42306 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStericConformerFilter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42339:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42339 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42339:64: note: in expansion of macro ‘SWIG_fail’
42339 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42341:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42341:64: note: in expansion of macro ‘SWIG_fail’
42341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42343:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42343 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42343:64: note: in expansion of macro ‘SWIG_fail’
42343 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42345:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42345 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42345:64: note: in expansion of macro ‘SWIG_fail’
42345 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerScore_Score(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42417:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42417 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42417:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42417 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerSearch_Setup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42669:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConformerSearch_Setup", 0, 6, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42669:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConformerSearch_Setup", 0, 6, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42671:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42671 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42671:64: note: in expansion of macro ‘SWIG_fail’
42671 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42673:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42673:64: note: in expansion of macro ‘SWIG_fail’
42673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42675:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42675 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42675:64: note: in expansion of macro ‘SWIG_fail’
42675 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42677:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42677 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42677:64: note: in expansion of macro ‘SWIG_fail’
42677 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42679:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42679 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42679:64: note: in expansion of macro ‘SWIG_fail’
42679 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerSearch_SetSharing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42838:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42838 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42838:64: note: in expansion of macro ‘SWIG_fail’
42838 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42840:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42840 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42840:64: note: in expansion of macro ‘SWIG_fail’
42840 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerSearch_SetLocalOptRate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42971:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42971 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConformerSearch_SetLocalOptRate", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42971:108: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42971 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConformerSearch_SetLocalOptRate", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42973:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42973 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42973:64: note: in expansion of macro ‘SWIG_fail’
42973 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42975:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42975:64: note: in expansion of macro ‘SWIG_fail’
42975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42992:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42992 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_bool(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42992:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42992 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_bool(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43001:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43001 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_bool(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43001:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43001 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_bool(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43035:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43035 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0  | 0);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43035:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43035 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0  | 0);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign__SWIG_6(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43085:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43085 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43085:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43085 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43086:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43086 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43086:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43086 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43088:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43088 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAlign", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43088:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43088 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAlign", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43091:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43091:64: note: in expansion of macro ‘SWIG_fail’
43091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43093:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43093 |     if (!_v) goto check_3; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__OBMol, SWIG_POINTER_NO_NULL | 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43093:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43093 |     if (!_v) goto check_3; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__OBMol, SWIG_POINTER_NO_NULL | 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43096:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43096 |     if (!_v) goto check_4; { { int res = SWIG_AsVal_bool(argv[1], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_4;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43096:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43096 |     if (!_v) goto check_4; { { int res = SWIG_AsVal_bool(argv[1], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_4;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43100:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43100 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43100:64: note: in expansion of macro ‘SWIG_fail’
43100 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAlign_SetRef(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43126:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43126 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43126:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43126 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAlign_SetTarget(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43142:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43142 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43142:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43142 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBAlign(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43224:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43224 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43224:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43224 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolAtomIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43266:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43266 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43266:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43266 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43268:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43268 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43268:64: note: in expansion of macro ‘SWIG_fail’
43268 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43270:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43270 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43270:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43270 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43272:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43272 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43272:64: note: in expansion of macro ‘SWIG_fail’
43272 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolAtomIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43314:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43314 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43314:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43314 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43316:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43316 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43316:64: note: in expansion of macro ‘SWIG_fail’
43316 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43318:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43318 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43318:64: note: in expansion of macro ‘SWIG_fail’
43318 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolAtomDFSIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43379:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43379 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomDFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43379:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43379 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomDFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43381:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43381:64: note: in expansion of macro ‘SWIG_fail’
43381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43383:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43383 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomDFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43383:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43383 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomDFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43385:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43385 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43385:64: note: in expansion of macro ‘SWIG_fail’
43385 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43387:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43387 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43387:64: note: in expansion of macro ‘SWIG_fail’
43387 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolAtomDFSIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43431:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43431 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomDFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43431:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43431 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomDFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43433:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43433 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43433:64: note: in expansion of macro ‘SWIG_fail’
43433 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43435:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43435 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43435:64: note: in expansion of macro ‘SWIG_fail’
43435 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolAtomBFSIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43504:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43504 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomBFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43504:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43504 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomBFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43506:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43506 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43506:64: note: in expansion of macro ‘SWIG_fail’
43506 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43508:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43508 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43508:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43508 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43510:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43510:64: note: in expansion of macro ‘SWIG_fail’
43510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43512:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43512 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43512:64: note: in expansion of macro ‘SWIG_fail’
43512 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolAtomBFSIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43556:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43556 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomBFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43556:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43556 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomBFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43558:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43558:64: note: in expansion of macro ‘SWIG_fail’
43558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43560:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43560 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43560:64: note: in expansion of macro ‘SWIG_fail’
43560 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBMolBondBFSIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43629:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43629 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBMolBondBFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43629:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43629 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBMolBondBFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43631:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43631 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43631:64: note: in expansion of macro ‘SWIG_fail’
43631 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43633:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43633 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43633:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43633 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43635:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43635 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43635:64: note: in expansion of macro ‘SWIG_fail’
43635 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43637:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43637:64: note: in expansion of macro ‘SWIG_fail’
43637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMolBondBFSIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43681:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43681 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMolBondBFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43681:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43681 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMolBondBFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43683:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43683 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43683:64: note: in expansion of macro ‘SWIG_fail’
43683 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43685:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43685 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43685:64: note: in expansion of macro ‘SWIG_fail’
43685 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolBondIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43744:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43744 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolBondIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43744:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43744 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolBondIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43746:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43746 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43746:64: note: in expansion of macro ‘SWIG_fail’
43746 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43748:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43748 |     if (!_v) goto check_2; return _wrap_new__OBMolBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43748:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43748 |     if (!_v) goto check_2; return _wrap_new__OBMolBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43750:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43750 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43750:64: note: in expansion of macro ‘SWIG_fail’
43750 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolBondIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43792:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43792 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolBondIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43792:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43792 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolBondIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43794:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43794:64: note: in expansion of macro ‘SWIG_fail’
43794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43796:64: note: in expansion of macro ‘SWIG_fail’
43796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBAtomAtomIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43847:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43847 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBAtomAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43847:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43847 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBAtomAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43849:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43849 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43849:64: note: in expansion of macro ‘SWIG_fail’
43849 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43851:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43851 |     if (!_v) goto check_2; return _wrap_new__OBAtomAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43851:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43851 |     if (!_v) goto check_2; return _wrap_new__OBAtomAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43853:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43853 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43853:64: note: in expansion of macro ‘SWIG_fail’
43853 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBAtomAtomIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43895:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43895 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBAtomAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43895:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43895 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBAtomAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43897:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43897 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43897:64: note: in expansion of macro ‘SWIG_fail’
43897 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43899:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43899 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43899:64: note: in expansion of macro ‘SWIG_fail’
43899 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBAtomBondIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43950:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43950 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBAtomBondIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43950:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43950 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBAtomBondIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43952:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43952 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43952:64: note: in expansion of macro ‘SWIG_fail’
43952 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43954:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43954 |     if (!_v) goto check_2; return _wrap_new__OBAtomBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43954:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43954 |     if (!_v) goto check_2; return _wrap_new__OBAtomBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43956:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43956 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43956:64: note: in expansion of macro ‘SWIG_fail’
43956 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBAtomBondIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43998:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43998 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBAtomBondIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43998:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43998 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBAtomBondIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44000:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44000 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44000:64: note: in expansion of macro ‘SWIG_fail’
44000 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44002:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44002 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44002:64: note: in expansion of macro ‘SWIG_fail’
44002 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBResidueIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44053:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44053 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBResidueIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44053:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44053 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBResidueIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44055:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44055 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44055:64: note: in expansion of macro ‘SWIG_fail’
44055 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44057:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44057 |     if (!_v) goto check_2; return _wrap_new__OBResidueIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44057:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44057 |     if (!_v) goto check_2; return _wrap_new__OBResidueIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44059:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44059 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44059:64: note: in expansion of macro ‘SWIG_fail’
44059 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBResidueIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44101:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44101 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBResidueIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44101:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44101 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBResidueIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44103:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44103 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44103:64: note: in expansion of macro ‘SWIG_fail’
44103 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44105:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-pytmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
hon.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44105:64: note: in expansion of macro ‘SWIG_fail’
44105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBResidueAtomIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44156:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44156 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBResidueAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44156:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44156 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBResidueAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44158:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44158 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44158:64: note: in expansion of macro ‘SWIG_fail’
44158 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44160:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44160 |     if (!_v) goto check_2; return _wrap_new__OBResidueAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44160:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44160 |     if (!_v) goto check_2; return _wrap_new__OBResidueAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44162:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44162 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44162:64: note: in expansion of macro ‘SWIG_fail’
44162 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBResidueAtomIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44205:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44205 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBResidueAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44205:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44205 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBResidueAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44207:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44207 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44207:64: note: in expansion of macro ‘SWIG_fail’
44207 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44209:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44209 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44209:64: note: in expansion of macro ‘SWIG_fail’
44209 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolAngleIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44260:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44260 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAngleIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44260:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44260 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAngleIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44262:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44262 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44262:64: note: in expansion of macro ‘SWIG_fail’
44262 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44264:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44264 |     if (!_v) goto check_2; return _wrap_new__OBMolAngleIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44264:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44264 |     if (!_v) goto check_2; return _wrap_new__OBMolAngleIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44266:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44266:64: note: in expansion of macro ‘SWIG_fail’
44266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolTorsionIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44342:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44342 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolTorsionIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44342:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44342 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolTorsionIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44344:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44344 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44344:64: note: in expansion of macro ‘SWIG_fail’
44344 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44346:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44346 |     if (!_v) goto check_2; return _wrap_new__OBMolTorsionIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44346:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44346 |     if (!_v) goto check_2; return _wrap_new__OBMolTorsionIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44348:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44348 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44348:64: note: in expansion of macro ‘SWIG_fail’
44348 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolPairIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44426:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44426 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolPairIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44426:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44426 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolPairIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44428:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44428 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44428:64: note: in expansion of macro ‘SWIG_fail’
44428 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44430:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44430 |     if (!_v) goto check_2; return _wrap_new__OBMolPairIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44430:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44430 |     if (!_v) goto check_2; return _wrap_new__OBMolPairIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44432:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44432 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44432:64: note: in expansion of macro ‘SWIG_fail’
44432 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolRingIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44508:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44508 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolRingIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44508:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44508 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolRingIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44510:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44510:64: note: in expansion of macro ‘SWIG_fail’
44510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44512:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44512 |     if (!_v) goto check_2; return _wrap_new__OBMolRingIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44512:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44512 |     if (!_v) goto check_2; return _wrap_new__OBMolRingIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44514:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44514 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44514:64: note: in expansion of macro ‘SWIG_fail’
44514 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolRingIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44556:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44556 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolRingIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44556:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44556 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolRingIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44558:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44558:64: note: in expansion of macro ‘SWIG_fail’
44558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44560:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44560 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44560:64: note: in expansion of macro ‘SWIG_fail’
44560 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_doubleArray(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44594:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44594 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44594:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44594 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_doubleArray_frompointer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44630:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44630 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44630:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44630 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTetrahedralStereo_GetConfig(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44835:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44835 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTetrahedralStereo_GetConfig", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44835:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44835 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTetrahedralStereo_GetConfig", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44837:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44837 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44837:64: note: in expansion of macro ‘SWIG_fail’
44837 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44841:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44841 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44841:64: note: in expansion of macro ‘SWIG_fail’
44841 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44844:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44844 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_4: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44844:64: note: in expansion of macro ‘SWIG_fail’
44844 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_4: if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44846:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44846 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44846:64: note: in expansion of macro ‘SWIG_fail’
44846 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44848:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44848 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44848:64: note: in expansion of macro ‘SWIG_fail’
44848 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBCisTransStereo_GetConfig(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45059:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45059 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45059:64: note: in expansion of macro ‘SWIG_fail’
45059 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45063:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45063 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45063:64: note: in expansion of macro ‘SWIG_fail’
45063 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45065:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45065 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45065:64: note: in expansion of macro ‘SWIG_fail’
45065 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSquarePlanarStereo_GetConfig(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45260:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45260 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSquarePlanarStereo_GetConfig", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45260:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45260 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSquarePlanarStereo_GetConfig", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45262:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45262 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45262:64: note: in expansion of macro ‘SWIG_fail’
45262 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45266:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45266:64: note: in expansion of macro ‘SWIG_fail’
45266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45268:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45268 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45268:64: note: in expansion of macro ‘SWIG_fail’
45268 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘void* _p_OpenBabel__CharPtrLessTo_p_std__binary_functionT_char_const_p_char_const_p_bool_t(void*, int*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:50851:27: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
50851 |     return (void *)((std::binary_function< char const *,char const *,bool > *)  ((OpenBabel::CharPtrLess *) x));
      |                           ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 99%] Linking CXX shared module /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/_openbabel.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts && /usr/bin/cmake -E cmake_link_script CMakeFiles/bindings_python.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/bindings_python.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/_openbabel.so "CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o"  -lpython3.13 ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 99%] Built target bindings_python
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 98%] Building CXX object scripts/CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbindings_ruby_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/python3.13 -I/usr/lib64/perl5/CORE -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT scripts/CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o -MF CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o.d -o CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/generic.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2207:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2208:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:74:12: note:   by ‘double OpenBabel::OBGridData::GetValue(int, int, int) const’
   74 |     double GetValue(int i, int j, int k) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2215:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2220:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/stdexcept:41,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2190:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_ConstIterator_next(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:8665:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 8665 | SWIGINTERN VALUE _wrap_ConstIterator_next(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_ConstIterator_previous(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:8692:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 8692 | SWIGINTERN VALUE _wrap_ConstIterator_previous(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Iterator_next(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:8830:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 8830 | SWIGINTERN VALUE _wrap_Iterator_next(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Iterator_previous(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:8854:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 8854 | SWIGINTERN VALUE _wrap_Iterator_previous(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorInt___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9179:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9179 |     if (!_v) goto check_1; return _wrap_VectorInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9179:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9179 |     if (!_v) goto check_1; return _wrap_VectorInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorInt___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9233:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9233 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9233:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9233 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorInt___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9234:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 9234 | SWIGINTERN VALUE _wrap_VectorInt___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorInt(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9375:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9375 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9375:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9375 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorUnsignedInt___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9652:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9652 |     if (!_v) goto check_1; return _wrap_VectorUnsignedInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9652:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9652 |     if (!_v) goto check_1; return _wrap_VectorUnsignedInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorUnsignedInt___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9707:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9707 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9707:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9707 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorUnsignedInt___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9708:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 9708 | SWIGINTERN VALUE _wrap_VectorUnsignedInt___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVInt___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10150:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10150 |     if (!_v) goto check_1; return _wrap_VectorVInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10150:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10150 |     if (!_v) goto check_1; return _wrap_VectorVInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVInt___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10212:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10212 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10212:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10212 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVInt___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10213:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
10213 | SWIGINTERN VALUE _wrap_VectorVInt___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorVInt(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10374:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10374 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10374:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10374 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorDouble___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10623:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10623 |     if (!_v) goto check_1; return _wrap_VectorDouble___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10623:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10623 |     if (!_v) goto check_1; return _wrap_VectorDouble___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorDouble___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10678:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10678 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10678:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10678 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorDouble___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10679:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
10679 | SWIGINTERN VALUE _wrap_VectorDouble___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorDouble(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10824:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10824 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10824:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10824 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___delete_2__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10993:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10993 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10993:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10993 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11104:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11104 |     if (!_v) goto check_1; return _wrap_VectorString___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11104:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11104 |     if (!_v) goto check_1; return _wrap_VectorString___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11162:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11162 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11162:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11162 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11163:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
11163 | SWIGINTERN VALUE _wrap_VectorString___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorString(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11314:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11314 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11314:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11314 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___delete__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11354:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11354 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11354:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11354 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVector3___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11602:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11602 |     if (!_v) goto check_1; return _wrap_VectorVector3___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11602:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11602 |     if (!_v) goto check_1; return _wrap_VectorVector3___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVector3___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11662:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11662 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11662:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11662 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVector3___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11663:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
11663 | SWIGINTERN VALUE _wrap_VectorVector3___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorVector3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11818:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11818 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11818:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11818 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBMol___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12076:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12076 |     if (!_v) goto check_1; return _wrap_VectorOBMol___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12076:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12076 |     if (!_v) goto check_1; return _wrap_VectorOBMol___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBMol___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12136:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12136 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12136:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12136 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBMol___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12137:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
12137 | SWIGINTERN VALUE _wrap_VectorOBMol___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorOBMol(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12291:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12291 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12291:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12291 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBBond___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12548:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12548 |     if (!_v) goto check_1; return _wrap_VectorOBBond___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12548:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12548 |     if (!_v) goto check_1; return _wrap_VectorOBBond___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBBond___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12608:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12608 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12608:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12608 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBBond___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12609:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
12609 | SWIGINTERN VALUE _wrap_VectorOBBond___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorOBBond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12764:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12764 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12764:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12764 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBResidue___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13021:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13021 |     if (!_v) goto check_1; return _wrap_VectorOBResidue___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13021:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13021 |     if (!_v) goto check_1; return _wrap_VectorOBResidue___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBResidue___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13081:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13081 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13081:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13081 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBResidue___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13082:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
13082 | SWIGINTERN VALUE _wrap_VectorOBResidue___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorOBResidue(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13237:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13237 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13237:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13237 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBRing___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13495:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13495 |     if (!_v) goto check_1; return _wrap_VectorOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13495:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13495 |     if (!_v) goto check_1; return _wrap_VectorOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBRing___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13555:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13555 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13555:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13555 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBRing___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13556:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
13556 | SWIGINTERN VALUE _wrap_VectorOBRing___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorOBRing(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13711:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13711 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13711:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13711 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBRing___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13967:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13967 |     if (!_v) goto check_1; return _wrap_VectorpOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13967:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13967 |     if (!_v) goto check_1; return _wrap_VectorpOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBRing___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14026:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14026 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14026:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14026 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBRing___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14027:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
14027 | SWIGINTERN VALUE _wrap_VectorpOBRing___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorpOBRing(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14181:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14181 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14181:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14181 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBGenericData___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14444:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14444 |     if (!_v) goto check_1; return _wrap_VectorpOBGenericData___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14444:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14444 |     if (!_v) goto check_1; return _wrap_VectorpOBGenericData___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBGenericData___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14505:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14505 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14505:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14505 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBGenericData___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14506:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
14506 | SWIGINTERN VALUE _wrap_VectorpOBGenericData___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTypeTable_set_from_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15146:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15146 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15146:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15146 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTypeTable_set_to_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15158:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15158 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15158:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15158 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTypeTable_translate__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15173:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15173 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15173:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15173 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15174:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15174 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15174:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15174 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTypeTable_translate__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15193:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15193 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15193:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15193 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_set_res_name(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15271:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15271 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15271:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15271 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_lookup_bo__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15285:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15285 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15285:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15285 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_lookup_bo__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15303:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15303 |   if (SWIG_IsNewObj(res3)) delete arg3; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15303:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15303 |   if (SWIG_IsNewObj(res3)) delete arg3; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15304:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15304 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15304:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15304 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_lookup_bo(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15305:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15305 | SWIGINTERN VALUE _wrap_OBResidueData_lookup_bo(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_lookup_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15333:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15333 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15333:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15333 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBSqrtTbl(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15431:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15431 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15431:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15431 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15430:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15430 | SWIGINTERN VALUE _wrap_new_OBSqrtTbl(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_Vector3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15552:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15552 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15552:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15552 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15557:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15557 |      if (!_v) goto check_3; return _wrap_new_Vector3__SWIG_5(nargs, args, self);}  check_3: if (argc == 1) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15557:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15557 |      if (!_v) goto check_3; return _wrap_new_Vector3__SWIG_5(nargs, args, self);}  check_3: if (argc == 1) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_begin(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15622:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15622 | SWIGINTERN VALUE _wrap_Vector3_begin(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_end(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15646:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15646 | SWIGINTERN VALUE _wrap_Vector3_end(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15674:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15674 | SWIGINTERN VALUE _wrap_Vector3_set(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; argc = nargs + 1;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_add(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15782:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15782 |      if (!_v) goto check_1; return _wrap_Vector3_add__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15782:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15782 |      if (!_v) goto check_1; return _wrap_Vector3_add__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_x(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15862:88: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15862 | SWIGINTERN VALUE _wrap_Vector3_x(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_y(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15875:88: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15875 | SWIGINTERN VALUE _wrap_Vector3_y(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_z(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15888:88: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15888 | SWIGINTERN VALUE _wrap_Vector3_z(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_Matrix3x3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16343:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16343 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16343:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16343 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Matrix3x3___call__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16392:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
16392 | SWIGINTERN VALUE _wrap_Matrix3x3___call__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap___mul__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16630:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16630 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16630:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16630 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) { int _v = 0; {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16638:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16638 |      if (!_v) goto check_2; return _wrap___mul____SWIG_2(nargs, args, self);}  check_2: if (argc == 2) { int _v = 0; {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16638:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16638 |      if (!_v) goto check_2; return _wrap___mul____SWIG_2(nargs, args, self);}  check_2: if (argc == 2) { int _v = 0; {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBBitVec(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16726:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16726 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16726:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16726 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBitVec_first_bit(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16805:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
16805 | SWIGINTERN VALUE _wrap_OBBitVec_first_bit(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBitVec_from_vec_int(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16897:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16897 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16897:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16897 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap___sub__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17079:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17079 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17079:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17079 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17082:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17082 |      if (!_v) goto check_2; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17082:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17082 |      if (!_v) goto check_2; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17084:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17084 |      if (!_v) goto check_2; return _wrap___sub____SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17084:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17084 |      if (!_v) goto check_2; return _wrap___sub____SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBGenericData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17262:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17262 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17262:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17262 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17261:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
17261 | SWIGINTERN VALUE _wrap_new_OBGenericData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGenericData_set_attribute(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17302:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17302 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17302:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17302 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17405:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
17405 | SWIGINTERN VALUE _wrap_OBBase_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17433:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17433 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17433:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17433 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17445:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17445 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17445:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17445 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17512:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17512 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17512:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17512 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17517:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17517 |     if (!_v) goto check_1; return _wrap_OBBase_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17517:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17517 |     if (!_v) goto check_1; return _wrap_OBBase_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) { int _v = 0; {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17522:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17522 |     if (!_v) goto check_3; return _wrap_OBBase_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17522:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17522 |     if (!_v) goto check_3; return _wrap_OBBase_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17570:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17570 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17570:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17570 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17582:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17582 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17582:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17582 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBCommentData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17692:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17692 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17692:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17692 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17691:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
17691 | SWIGINTERN VALUE _wrap_new_OBCommentData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBCommentData_set_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17709:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17709 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17709:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17709 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBCommentData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17724:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17724 |     if (!_v) goto check_1; return _wrap_OBCommentData_set_data__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17724:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17724 |     if (!_v) goto check_1; return _wrap_OBCommentData_set_data__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBExternalBond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17785:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17785 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17785:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17785 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17784:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
17784 | SWIGINTERN VALUE _wrap_new_OBExternalBond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPairData_set_value__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17944:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17944 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17944:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17944 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPairData_set_value(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17948:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17948 |     if (!_v) goto check_1; return _wrap_OBPairData_set_value__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17948:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17948 |     if (!_v) goto check_1; return _wrap_OBPairData_set_value__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSetData_get_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18009:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18009 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18009:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18009 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSetData_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18023:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18023 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18023:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18023 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBVirtualBond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18122:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18122 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18122:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18122 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18121:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18121 | SWIGINTERN VALUE _wrap_new_OBVirtualBond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBRingData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18194:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18194 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18194:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18194 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18193:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18193 | SWIGINTERN VALUE _wrap_new_OBRingData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBUnitCell(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18315:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18315 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18315:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18315 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18314:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18314 | SWIGINTERN VALUE _wrap_new_OBUnitCell(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18383:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18383 | SWIGINTERN VALUE _wrap_OBUnitCell_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_set_space_group(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18439:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18439 |     if (!_v) goto check_2; return _wrap_OBUnitCell_set_space_group__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18439:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18439 |     if (!_v) goto check_2; return _wrap_OBUnitCell_set_space_group__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_a(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18481:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18481 | SWIGINTERN VALUE _wrap_OBUnitCell_get_a(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_b(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18502:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18502 | SWIGINTERN VALUE _wrap_OBUnitCell_get_b(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_c(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18523:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18523 | SWIGINTERN VALUE _wrap_OBUnitCell_get_c(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_alpha(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18545:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18545 | SWIGINTERN VALUE _wrap_OBUnitCell_get_alpha(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_beta(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18567:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18567 | SWIGINTERN VALUE _wrap_OBUnitCell_get_beta(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_gamma(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18590:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18590 | SWIGINTERN VALUE _wrap_OBUnitCell_get_gamma(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_offset(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18614:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18614 | SWIGINTERN VALUE _wrap_OBUnitCell_get_offset(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_space_group(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18639:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18639 | SWIGINTERN VALUE _wrap_OBUnitCell_get_space_group(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_space_group_name(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18663:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18663 | SWIGINTERN VALUE _wrap_OBUnitCell_get_space_group_name(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_lattice_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18709:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18709 | SWIGINTERN VALUE _wrap_OBUnitCell_get_lattice_type(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_cell_vectors(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18738:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18738 | SWIGINTERN VALUE _wrap_OBUnitCell_get_cell_vectors(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_cell_matrix(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18763:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18763 | SWIGINTERN VALUE _wrap_OBUnitCell_get_cell_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_ortho_matrix(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18787:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18787 | SWIGINTERN VALUE _wrap_OBUnitCell_get_ortho_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_orientation_matrix(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18813:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18813 | SWIGINTERN VALUE _wrap_OBUnitCell_get_orientation_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_fractional_matrix(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18839:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18839 | SWIGINTERN VALUE _wrap_OBUnitCell_get_fractional_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_fractional_to_cartesian(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18876:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18876 | SWIGINTERN VALUE _wrap_OBUnitCell_fractional_to_cartesian(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_cartesian_to_fractional(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18913:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18913 | SWIGINTERN VALUE _wrap_OBUnitCell_cartesian_to_fractional(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_wrap_cartesian_coordinate(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18950:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18950 | SWIGINTERN VALUE _wrap_OBUnitCell_wrap_cartesian_coordinate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_wrap_fractional_coordinate(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18987:116: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18987 | SWIGINTERN VALUE _wrap_OBUnitCell_wrap_fractional_coordinate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_unwrap_cartesian_near(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19036:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19036 | SWIGINTERN VALUE _wrap_OBUnitCell_unwrap_cartesian_near(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_unwrap_fractional_near(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19086:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19086 | SWIGINTERN VALUE _wrap_OBUnitCell_unwrap_fractional_near(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_minimum_image_cartesian(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19124:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19124 | SWIGINTERN VALUE _wrap_OBUnitCell_minimum_image_cartesian(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_minimum_image_fractional(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19161:114: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19161 | SWIGINTERN VALUE _wrap_OBUnitCell_minimum_image_fractional(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_space_group_number(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19206:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19206 | SWIGINTERN VALUE _wrap_OBUnitCell_get_space_group_number(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_cell_volume(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19233:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19233 | SWIGINTERN VALUE _wrap_OBUnitCell_get_cell_volume(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBConformerData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19267:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19267 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19267:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19267 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19266:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19266 | SWIGINTERN VALUE _wrap_new_OBConformerData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBSymmetryData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19449:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19449 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19449:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19449 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19448:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19448 | SWIGINTERN VALUE _wrap_new_OBSymmetryData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSymmetryData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19482:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19482 | SWIGINTERN VALUE _wrap_OBSymmetryData_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBTorsion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19549:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19549 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19549:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19549 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19548:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19548 | SWIGINTERN VALUE _wrap_new_OBTorsion(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTorsion_add_torsion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19611:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19611 | SWIGINTERN VALUE _wrap_OBTorsion_add_torsion(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTorsion_set_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19643:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19643 | SWIGINTERN VALUE _wrap_OBTorsion_set_angle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTorsion_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19687:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19687 | SWIGINTERN VALUE _wrap_OBTorsion_get_angle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBAngle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19820:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19820 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19820:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19820 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19819:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19819 | SWIGINTERN VALUE _wrap_new_OBAngle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAngle_set_atoms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19904:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19904 | SWIGINTERN VALUE _wrap_OBAngle_set_atoms(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAngleData_fill_angle_array(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19954:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19954 | SWIGINTERN VALUE _wrap_OBAngleData_fill_angle_array(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBSerialNums(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20015:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20015 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20015:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20015 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20014:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20014 | SWIGINTERN VALUE _wrap_new_OBSerialNums(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBVibrationData_set_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20103:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20103 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20103:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20103 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20104:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20104 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20104:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20104 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBVibrationData_set_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20139:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20139 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20139:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20139 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBVibrationData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20142:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20142 | SWIGINTERN VALUE _wrap_OBVibrationData_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDOSData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20250:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20250 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20250:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20250 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOrbital_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20328:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20328 | SWIGINTERN VALUE _wrap_OBOrbital_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOrbitalData_set_homo(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20455:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20455 | SWIGINTERN VALUE _wrap_OBOrbitalData_set_homo(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBElectronicTransitionData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20616:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20616 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20616:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20616 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20617:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20617 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20617:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20617 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBElectronicTransitionData_set_edipole(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20631:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20631 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20631:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20631 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBElectronicTransitionData_set_rotatory_strengths_velocity(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20645:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20645 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20645:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20645 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBElectronicTransitionData_set_rotatory_strengths_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20659:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20659 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20659:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20659 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBVectorData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20827:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20827 | SWIGINTERN VALUE _wrap_OBVectorData_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBFreeGridPoint(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20920:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20920 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20920:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20920 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20919:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20919 | SWIGINTERN VALUE _wrap_new_OBFreeGridPoint(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_get_axes(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21254:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21254 |     if (!_v) goto check_1; return _wrap_OBGridData_get_axes__SWIG_0(nargs, args, self);}  check_1: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21254:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21254 |     if (!_v) goto check_1; return _wrap_OBGridData_get_axes__SWIG_0(nargs, args, self);}  check_1: if (argc == 4) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_get_number_of_points(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21290:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21290 | SWIGINTERN VALUE _wrap_OBGridData_get_number_of_points(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_get_value(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21345:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21345 | SWIGINTERN VALUE _wrap_OBGridData_get_value(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_get_origin_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21398:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21398 | SWIGINTERN VALUE _wrap_OBGridData_get_origin_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_set_limits(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21501:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21501 |      if (!_v) goto check_1; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21501:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21501 |      if (!_v) goto check_1; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21503:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21503 |      if (!_v) goto check_1; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21503:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21503 |      if (!_v) goto check_1; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21505:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21505 |      if (!_v) goto check_1; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21505:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21505 |      if (!_v) goto check_1; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21507:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21507 |      if (!_v) goto check_1; return _wrap_OBGridData_set_limits__SWIG_0(nargs, args, self);}  check_1: if (argc == 5) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21507:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21507 |      if (!_v) goto check_1; return _wrap_OBGridData_set_limits__SWIG_0(nargs, args, self);}  check_1: if (argc == 5) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_set_values(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21543:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21543 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21543:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21543 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_Dummy(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21584:8: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21584 |   std::binary_function< char const *,char const *,bool > *result = 0 ; if ((argc < 0) || (argc > 0)) {
      |        ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21586:18: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21586 |   result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                  ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21586:79: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21586 |   result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                                                                               ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘void free_std_binary_function_Sl_char_SS_const_Sm__Sc_char_SS_const_Sm__Sc_bool_Sg_(void*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21590:10: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21590 |     std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *)self;
      |          ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21590:74: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21590 |     std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *)self;
      |                                                                          ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_CharPtrLess___call__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21611:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21611 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21611:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21611 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21612:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21612 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21612:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21612 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_display__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21676:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21676 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21676:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21676 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21677:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21677 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21677:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21677 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_display__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21695:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21695 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21695:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21695 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_display(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21696:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21696 | SWIGINTERN VALUE _wrap_OBPlugin_display(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_make_instance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21717:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21717 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21717:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21717 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_get_plugin(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21735:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21735 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21735:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21735 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21736:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21736 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21736:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21736 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list_as_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21762:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21762 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21762:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21762 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21763:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21763 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21763:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21763 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21776:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21776 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21776:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21776 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21777:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21777 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21777:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21777 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21786:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21786 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21786:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21786 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21787:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21787 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21787:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21787 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21794:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21794 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21794:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21794 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21796:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21796 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21796:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21796 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21795:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21795 | SWIGINTERN VALUE _wrap_OBPlugin_list(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list_as_string__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21813:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21813 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21813:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21813 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21814:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21814 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21814:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21814 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list_as_string(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21823:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21823 | SWIGINTERN VALUE _wrap_OBPlugin_list_as_string(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_begin(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21847:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21847 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21847:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21847 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_end(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21857:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21857 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21857:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21857 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21925:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21925 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21925:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21925 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21927 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21927:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21927 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21955:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21955 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21955:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21955 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21957:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21957 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21957:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21957 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21981:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21981 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return self; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21981:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21981 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return self; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21982:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21982 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21982:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21982 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21983:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21983 |   if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21983:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21983 |   if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22003:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22003 |   if (SWIG_IsNewObj(res3)) delete arg3; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22003:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22003 |   if (SWIG_IsNewObj(res3)) delete arg3; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22004:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22004 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22004:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22004 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_4(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22019:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22019 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22019:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22019 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_5(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22028:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22028 |   if (SWIG_IsNewObj(res1)) delete arg1; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22028:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22028 |   if (SWIG_IsNewObj(res1)) delete arg1; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22044:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22044 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22044:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22044 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22043:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22043 | SWIGINTERN VALUE _wrap_new_OBError(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap___lshift__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22092:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22092 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22092:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22092 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) { int _v = 0; {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMessageHandler_throw_error__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22258:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22258 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22258:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22258 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22259:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22259 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22259:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22259 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMessageHandler_throw_error__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22279:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22279 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22279:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22279 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22280:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22280 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22280:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22280 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMessageHandler_throw_error__SWIG_4(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22297:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22297 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22297:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22297 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22298:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22298 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22298:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22298 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22511:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22511 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22511:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22511 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_register_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22641:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22641 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22641:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22641 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22642:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22642 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22642:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22642 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_register_format__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22654:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22654 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22654:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22654 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_register_format(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22655:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22655 | SWIGINTERN VALUE _wrap_OBFormat_register_format(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_display__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22681:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22681 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22681:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22681 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22682:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22682 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22682:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22682 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_display__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22700:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22700 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22700:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22700 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_display(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22701:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22701 | SWIGINTERN VALUE _wrap_OBFormat_display(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_format_from_mime(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22715:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22715 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22715:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22715 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBConversion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22786:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22786 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22786:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22786 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22795:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22795 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(nargs, args, self);}  check_5: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22795:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22795 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(nargs, args, self);}  check_5: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_register_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22821:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22821 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22821:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22821 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22822:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22822 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22822:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22822 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_register_format__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22835:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22835 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22835:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22835 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_register_format(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22836:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22836 | SWIGINTERN VALUE _wrap_OBConversion_register_format(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_find_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22851:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22851 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22851:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22851 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_format_from_ext__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22877:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22877 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22877:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22877 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_format_from_ext__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22892:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22892 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22892:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22892 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_format_from_mime(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22937:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22937 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22937:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22937 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_stream(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22982:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22982 | SWIGINTERN VALUE _wrap_OBConversion_set_in_stream(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_out_stream(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23011:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23011 | SWIGINTERN VALUE _wrap_OBConversion_set_out_stream(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_and_out_formats__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23036:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23036 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23036:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23036 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23037:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23037 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23037:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23037 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_and_out_formats__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23054:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23054 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23054:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23054 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23055:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23055 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23055:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23055 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_and_out_formats__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23070:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23070 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23070:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23070 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23071:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23071 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23071:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23071 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_and_out_formats(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23129:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23129 |     if (!_v) goto check_1; return _wrap_OBConversion_set_in_and_out_formats__SWIG_5(nargs, args, self);}  check_1:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23129:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23129 |     if (!_v) goto check_1; return _wrap_OBConversion_set_in_and_out_formats__SWIG_5(nargs, args, self);}  check_1:
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23132:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23132 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23132:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23132 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23137:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23137 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23137:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23137 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23161:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23161 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23161:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23161 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_format__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23173:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23173 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23173:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23173 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_format(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23205:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23205 |     if (!_v) goto check_3; return _wrap_OBConversion_set_in_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23205:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23205 |     if (!_v) goto check_3; return _wrap_OBConversion_set_in_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_out_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23225:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23225 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23225:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23225 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_out_format__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23237:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23237 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23237:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23237 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_out_format(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23269:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23269 |     if (!_v) goto check_3; return _wrap_OBConversion_set_out_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23269:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23269 |     if (!_v) goto check_3; return _wrap_OBConversion_set_out_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_is_option__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23392:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23392 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23392:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23392 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_is_option__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23404:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23404 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23404:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23404 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_is_option(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23405:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23405 | SWIGINTERN VALUE _wrap_OBConversion_is_option(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_add_option__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23443:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23443 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23443:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23443 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23444:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23444 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23444:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23444 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_add_option__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23458:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23458 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23458:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23458 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_add_option(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23470:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23470 | SWIGINTERN VALUE _wrap_OBConversion_add_option(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_remove_option(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23493:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23493 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23493:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23493 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_options(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23507:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23507 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23507:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23507 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_register_option_param(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23545:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23545 | SWIGINTERN VALUE _wrap_OBConversion_register_option_param(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_copy_options(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23589:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23589 | SWIGINTERN VALUE _wrap_OBConversion_copy_options(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_convert(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23637:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23637 | SWIGINTERN VALUE _wrap_OBConversion_convert(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_first_input(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23720:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23720 | SWIGINTERN VALUE _wrap_OBConversion_set_first_input(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_one_object_only(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23765:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23765 | SWIGINTERN VALUE _wrap_OBConversion_set_one_object_only(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_write(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23829:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23829 | SWIGINTERN VALUE _wrap_OBConversion_write(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_write_string(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23861:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23861 | SWIGINTERN VALUE _wrap_OBConversion_write_string(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_read(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23914:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23914 | SWIGINTERN VALUE _wrap_OBConversion_read(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_report_number_converted(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23988:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23988 | SWIGINTERN VALUE _wrap_OBConversion_report_number_converted(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBResidue(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24030:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24030 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24030:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24030 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24029:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
24029 | SWIGINTERN VALUE _wrap_new_OBResidue(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidue_set_name(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24082:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24082 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24082:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24082 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidue_set_num(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24105:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24105 |     if (!_v) goto check_1; return _wrap_OBResidue_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24105:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24105 |     if (!_v) goto check_1; return _wrap_OBResidue_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidue_set_atom_id(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24160 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24160:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24160 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidue_get_bonds(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24282:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
24282 | SWIGINTERN VALUE _wrap_OBResidue_get_bonds(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBInternalCoord(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24656:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24656 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24656:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24656 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24655:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
24655 | SWIGINTERN VALUE _wrap_new_OBInternalCoord(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_get_exact_mass(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24715:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24715 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24715:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24715 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24714:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
24714 | SWIGINTERN VALUE _wrap_get_exact_mass(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25424:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25424 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25424:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25424 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25428:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25428 |     if (!_v) goto check_1; return _wrap_OBAtom_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25428:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25428 |     if (!_v) goto check_1; return _wrap_OBAtom_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25481:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
25481 | SWIGINTERN VALUE _wrap_OBAtom_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25523:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
25523 | SWIGINTERN VALUE _wrap_OBAtom_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25543:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
25543 | SWIGINTERN VALUE _wrap_OBAtom_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25778:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
25778 | SWIGINTERN VALUE _wrap_OBAtom_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25954:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25954 |     if (!_v) goto check_2; return _wrap_OBAtom_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25954:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25954 |     if (!_v) goto check_2; return _wrap_OBAtom_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25991:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25991 |     if (!_v) goto check_1; return _wrap_OBAtom_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25991:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25991 |     if (!_v) goto check_1; return _wrap_OBAtom_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26114:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26114 | SWIGINTERN VALUE _wrap_OBAtom_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26389:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26389 | SWIGINTERN VALUE _wrap_OBAtom_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26463:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26463 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26463:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26463 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26574:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26574 | SWIGINTERN VALUE _wrap_OBBond_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26615:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26615 | SWIGINTERN VALUE _wrap_OBBond_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_wedge(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26635:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26635 | SWIGINTERN VALUE _wrap_OBBond_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26654:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26654 | SWIGINTERN VALUE _wrap_OBBond_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_wedge_or_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26673:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26673 | SWIGINTERN VALUE _wrap_OBBond_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26693:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26693 | SWIGINTERN VALUE _wrap_OBBond_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_closure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26713:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26713 | SWIGINTERN VALUE _wrap_OBBond_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_get_begin_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26786:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26786 | SWIGINTERN VALUE _wrap_OBBond_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_get_end_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26811:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26811 | SWIGINTERN VALUE _wrap_OBBond_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_is_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26904:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26904 | SWIGINTERN VALUE _wrap_OBBond_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMol(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27027:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27027 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27027:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27027 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27026:88: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27026 | SWIGINTERN VALUE _wrap_new_OBMol(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_add_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27116:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27116 | SWIGINTERN VALUE _wrap_OBMol_add_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_add_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27198:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27198 | SWIGINTERN VALUE _wrap_OBMol_add_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[7]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_new_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27242:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27242 | SWIGINTERN VALUE _wrap_OBMol_new_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_new_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27268:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27268 | SWIGINTERN VALUE _wrap_OBMol_new_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_delete_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27306:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27306 | SWIGINTERN VALUE _wrap_OBMol_delete_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_delete_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27338:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27338 | SWIGINTERN VALUE _wrap_OBMol_delete_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_delete_residue(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27370:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27370 | SWIGINTERN VALUE _wrap_OBMol_delete_residue(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_end_modify(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27397:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27397 | SWIGINTERN VALUE _wrap_OBMol_end_modify(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27445:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27445 | SWIGINTERN VALUE _wrap_OBMol_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_num_rotors(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27495:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27495 | SWIGINTERN VALUE _wrap_OBMol_num_rotors(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27589:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27589 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27589:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27589 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_torsion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27661:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27661 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[3], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27661:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27661 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[3], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27664:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27664 |     if (!_v) goto check_1; return _wrap_OBMol_get_torsion__SWIG_1(nargs, args, self);}  check_1: if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27664:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27664 |     if (!_v) goto check_1; return _wrap_OBMol_get_torsion__SWIG_1(nargs, args, self);}  check_1: if (argc == 5) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_spaced_formula(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27755:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27755 | SWIGINTERN VALUE _wrap_OBMol_get_spaced_formula(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_mol_wt(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27789:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27789 | SWIGINTERN VALUE _wrap_OBMol_get_mol_wt(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_exact_mass(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27811:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27811 | SWIGINTERN VALUE _wrap_OBMol_get_exact_mass(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_aromatic_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28000:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28000 | SWIGINTERN VALUE _wrap_OBMol_set_aromatic_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_sssrperceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28020:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28020 | SWIGINTERN VALUE _wrap_OBMol_set_sssrperceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_lssrperceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28040:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28040 | SWIGINTERN VALUE _wrap_OBMol_set_lssrperceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_ring_atoms_and_bonds_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28061:119: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28061 | SWIGINTERN VALUE _wrap_OBMol_set_ring_atoms_and_bonds_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_atom_types_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28082:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28082 | SWIGINTERN VALUE _wrap_OBMol_set_atom_types_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_ring_types_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28102:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28102 | SWIGINTERN VALUE _wrap_OBMol_set_ring_types_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_chains_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28122:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28122 | SWIGINTERN VALUE _wrap_OBMol_set_chains_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_chirality_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28142:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28142 | SWIGINTERN VALUE _wrap_OBMol_set_chirality_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_partial_charges_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28162:114: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28162 | SWIGINTERN VALUE _wrap_OBMol_set_partial_charges_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_hybridization_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28183:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28183 | SWIGINTERN VALUE _wrap_OBMol_set_hybridization_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_closure_bonds_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28203:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28203 | SWIGINTERN VALUE _wrap_OBMol_set_closure_bonds_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_hydrogens_added(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28223:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28223 | SWIGINTERN VALUE _wrap_OBMol_set_hydrogens_added(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_corrected_for_ph(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28243:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28243 | SWIGINTERN VALUE _wrap_OBMol_set_corrected_for_ph(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_spin_multiplicity_assigned(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28263:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28263 | SWIGINTERN VALUE _wrap_OBMol_set_spin_multiplicity_assigned(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_is_pattern_structure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28284:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28284 | SWIGINTERN VALUE _wrap_OBMol_set_is_pattern_structure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_is_reaction(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28304:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28304 | SWIGINTERN VALUE _wrap_OBMol_set_is_reaction(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_periodic_mol(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28324:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28324 | SWIGINTERN VALUE _wrap_OBMol_set_periodic_mol(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_to_inertial_frame(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28429:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28429 | SWIGINTERN VALUE _wrap_OBMol_to_inertial_frame(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_translate(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28462:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28462 | SWIGINTERN VALUE _wrap_OBMol_translate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_delete_hydrogens(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28532:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28532 | SWIGINTERN VALUE _wrap_OBMol_delete_hydrogens(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_add_hydrogens(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28621:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28621 |     if (!_v) goto check_2; return _wrap_OBMol_add_hydrogens__SWIG_4(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28621:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28621 |     if (!_v) goto check_2; return _wrap_OBMol_add_hydrogens__SWIG_4(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_add_new_hydrogens(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28680:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28680 | SWIGINTERN VALUE _wrap_OBMol_add_new_hydrogens(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_strip_salts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28707:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28707 | SWIGINTERN VALUE _wrap_OBMol_strip_salts(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_separate(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28733:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28733 | SWIGINTERN VALUE _wrap_OBMol_separate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_copy_substructure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28885:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28885 | SWIGINTERN VALUE _wrap_OBMol_copy_substructure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_correct_for_ph(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28936:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28936 | SWIGINTERN VALUE _wrap_OBMol_correct_for_ph(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_assign_spin_multiplicity(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28959:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28959 | SWIGINTERN VALUE _wrap_OBMol_assign_spin_multiplicity(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_center(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28986:91: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28986 | SWIGINTERN VALUE _wrap_OBMol_center(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_find_children(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29074:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29074 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_1;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29074:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29074 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_1;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_has_2d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29213:91: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
29213 | SWIGINTERN VALUE _wrap_OBMol_has_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_energy(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29451:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
29451 | SWIGINTERN VALUE _wrap_OBMol_get_energy(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_throw_error(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29701 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29701:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29701 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) { int _v = 0; {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRing__path_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29839:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29839 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29839:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29839 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBRing(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29923:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29923 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29923:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29923 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRing_set_type__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29964:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29964 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29964:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29964 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBSmartsPattern(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30281:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30281 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30281:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30281 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30280:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
30280 | SWIGINTERN VALUE _wrap_new_OBSmartsPattern(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSmartsPattern_init__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30297:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30297 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30297:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30297 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSmartsPattern_init__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30311:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30311 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30311:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30311 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSmartsPattern_init(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30315:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30315 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_init__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30315:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30315 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_init__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSmartsMatcher_match(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30764:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
30764 | SWIGINTERN VALUE _wrap_OBSmartsMatcher_match(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSSMatch_match(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30837:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
30837 | SWIGINTERN VALUE _wrap_OBSSMatch_match(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_AliasData_set_alias__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30891:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30891 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30891:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30891 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_AliasData_set_alias(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30906:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30906 |     if (!_v) goto check_1; return _wrap_AliasData_set_alias__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30906:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30906 |     if (!_v) goto check_1; return _wrap_AliasData_set_alias__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_AliasData_get_alias(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30928:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
30928 | SWIGINTERN VALUE _wrap_AliasData_get_alias(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31005:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31005 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31005:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31005 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_get_bit(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31046:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31046 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31046:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31046 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_get_fingerprint(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31102:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31102 | SWIGINTERN VALUE _wrap_OBFingerprint_get_fingerprint(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_tanimoto__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31147:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31147 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31147:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31147 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31148:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31148 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31148:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31148 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_tanimoto__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31163:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31163 |   if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31163:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31163 |   if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_tanimoto(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31167:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31167 |     if (!_v) goto check_1; return _wrap_OBFingerprint_tanimoto__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31167:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31167 |     if (!_v) goto check_1; return _wrap_OBFingerprint_tanimoto__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_find_fingerprint(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31186:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31186 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31186:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31186 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_FptIndexHeader_fpid_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31253:3: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation]
31253 |   else memset(arg1->fpid,0,15*sizeof(char)); return Qnil; fail: return Qnil; }
      |   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31253:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’
31253 |   else memset(arg1->fpid,0,15*sizeof(char)); return Qnil; fail: return Qnil; }
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_FptIndexHeader_datafilename_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31290:3: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation]
31290 |   else memset(arg1->datafilename,0,256*sizeof(char)); return Qnil; fail: return Qnil; }
      |   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31290:55: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’
31290 |   else memset(arg1->datafilename,0,256*sizeof(char)); return Qnil; fail: return Qnil; }
      |                                                       ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_FastSearchIndexer(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31629:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31629 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31629:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31629 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBDescriptor__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31680:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31680 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31680:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31680 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBDescriptor__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31699:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31699 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31699:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31699 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBDescriptor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31701 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31701:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31701 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31700:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31700 | SWIGINTERN VALUE _wrap_new_OBDescriptor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31713:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31713 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31713:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31713 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_predict(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31740:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31740 | SWIGINTERN VALUE _wrap_OBDescriptor_predict(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_predict_and_save(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31773:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31773 | SWIGINTERN VALUE _wrap_OBDescriptor_predict_and_save(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_get_string_value(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31817:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31817 | SWIGINTERN VALUE _wrap_OBDescriptor_get_string_value(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_compare(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31866:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31866 | SWIGINTERN VALUE _wrap_OBDescriptor_compare(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_display__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31892:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31892 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31892:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31892 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31893:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31893 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31893:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31893 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_display__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31911:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31911 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31911:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31911 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_display(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31912:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31912 | SWIGINTERN VALUE _wrap_OBDescriptor_display(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_order(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31949:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31949 |     if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[2], NULL); _v = SWIG_CheckState(res); } }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31949:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31949 |     if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[2], NULL); _v = SWIG_CheckState(res); } }
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31950:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31950 |     if (!_v) goto check_1; return _wrap_OBDescriptor_order__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31950:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31950 |     if (!_v) goto check_1; return _wrap_OBDescriptor_order__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_add_properties(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31981:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31981 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31981:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31981 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_delete_properties(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31994:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31994 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31994:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31994 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__a_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32130:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32130 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32130:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32130 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__b_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32151:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32151 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32151:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32151 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__c_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32172:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32172 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32172:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32172 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__d_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32193:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32193 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32193:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32193 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__ipar_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32215:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32215 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32215:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32215 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__dpar_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32238:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32238 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32238:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32238 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33366:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33366 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33366:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33366 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_find_force_field__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33391:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33391 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33391:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33391 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_find_force_field__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33400:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33400 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33400:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33400 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_setup(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33470:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33470 | SWIGINTERN VALUE _wrap_OBForceField_setup(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_get_grid(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33659:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33659 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33659:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33659 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_get_gradient(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33864:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33864 | SWIGINTERN VALUE _wrap_OBForceField_get_gradient(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_energy(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33898:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33898 | SWIGINTERN VALUE _wrap_OBForceField_energy(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33923:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33923 | SWIGINTERN VALUE _wrap_OBForceField_e_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33948:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33948 | SWIGINTERN VALUE _wrap_OBForceField_e_angle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_str_bnd(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33973:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33973 | SWIGINTERN VALUE _wrap_OBForceField_e_str_bnd(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_torsion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33998:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33998 | SWIGINTERN VALUE _wrap_OBForceField_e_torsion(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_oop(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34023:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34023 | SWIGINTERN VALUE _wrap_OBForceField_e_oop(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_vdw(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34048:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34048 | SWIGINTERN VALUE _wrap_OBForceField_e_vdw(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_electrostatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34073:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34073 | SWIGINTERN VALUE _wrap_OBForceField_e_electrostatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_obfflog(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34156:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34156 |     if (!_v) goto check_1; return _wrap_OBForceField_obfflog__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34156:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34156 |     if (!_v) goto check_1; return _wrap_OBForceField_obfflog__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_systematic_rotor_search(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34195:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34195 | SWIGINTERN VALUE _wrap_OBForceField_systematic_rotor_search(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_systematic_rotor_search_initialize(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34237:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34237 |   VALUE argv[4]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 4) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_systematic_rotor_search_next_conformer(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34266:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34266 |   VALUE argv[3]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 3) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_random_rotor_search(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34309:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34309 | SWIGINTERN VALUE _wrap_OBForceField_random_rotor_search(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_random_rotor_search_initialize(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34355:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34355 |   VALUE argv[5]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 5) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_random_rotor_search_next_conformer(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34384:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34384 |   VALUE argv[3]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 3) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_weighted_rotor_search(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34417:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34417 | SWIGINTERN VALUE _wrap_OBForceField_weighted_rotor_search(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_line_search(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34479:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34479 |      if (!_v) goto check_1; return _wrap_OBForceField_line_search__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34479:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34479 |      if (!_v) goto check_1; return _wrap_OBForceField_line_search__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_steepest_descent(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34545:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34545 | SWIGINTERN VALUE _wrap_OBForceField_steepest_descent(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_steepest_descent_initialize(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34596:119: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34596 | SWIGINTERN VALUE _wrap_OBForceField_steepest_descent_initialize(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_conjugate_gradients(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34653:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34653 | SWIGINTERN VALUE _wrap_OBForceField_conjugate_gradients(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_conjugate_gradients_initialize(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34705:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34705 |   VALUE argv[5]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 5) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_molecular_dynamics_take_nsteps(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34783:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34783 |   VALUE argv[6]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 6) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_ignore_calculation(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34880:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34880 | SWIGINTERN VALUE _wrap_OBForceField_ignore_calculation(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_vector_angle_derivative(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35069:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35069 | SWIGINTERN VALUE _wrap_OBForceField_vector_angle_derivative(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_vector_oopderivative(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35137:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35137 | SWIGINTERN VALUE _wrap_OBForceField_vector_oopderivative(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_vector_torsion_derivative(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35205:117: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35205 | SWIGINTERN VALUE _wrap_OBForceField_vector_torsion_derivative(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_build(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35437:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35437 | SWIGINTERN VALUE _wrap_OBBuilder_build(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_add_ring_fragment(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35474:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35474 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35474:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35474 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_get_new_bond_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35513:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35513 | SWIGINTERN VALUE _wrap_OBBuilder_get_new_bond_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_connect(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35591:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35591 |   if (argc > 5) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35591:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35591 |   if (argc > 5) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35594:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35594 |      if (!_v) goto check_2; return _wrap_OBBuilder_connect__SWIG_1(nargs, args, self);}  check_2: if (argc == 4) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35594:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35594 |      if (!_v) goto check_2; return _wrap_OBBuilder_connect__SWIG_1(nargs, args, self);}  check_2: if (argc == 4) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_correct_stereo_atoms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35649:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35649 | SWIGINTERN VALUE _wrap_OBBuilder_correct_stereo_atoms(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35710:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35710 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35710:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35710 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_do__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35734:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35734 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35734:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35734 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_do__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35755:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35755 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35755:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35755 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_do__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35770:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35770 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35770:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35770 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_do(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35782:86: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35782 | SWIGINTERN VALUE _wrap_OBOp_do(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs + 1;
      |                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBRotorRule(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35880:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35880 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35880:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35880 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotor_set_dihedral_atoms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36095:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36095 |      if (!_v) goto check_1; return _wrap_OBRotor_set_dihedral_atoms__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36095:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36095 |      if (!_v) goto check_1; return _wrap_OBRotor_set_dihedral_atoms__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotor_set_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36176:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36176 | SWIGINTERN VALUE _wrap_OBRotor_set_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotor_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36249:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36249 | SWIGINTERN VALUE _wrap_OBRotor_set(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[7]; int ii; argc = nargs + 1;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotor_get_dihedral_atoms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36300:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36300 | SWIGINTERN VALUE _wrap_OBRotor_get_dihedral_atoms(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotorList_setup(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36559:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36559 | SWIGINTERN VALUE _wrap_OBRotorList_setup(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotorList_find_rotors(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36636:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36636 | SWIGINTERN VALUE _wrap_OBRotorList_find_rotors(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_RotorDigit(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36794:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36794 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36794:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36794 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36793:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36793 | SWIGINTERN VALUE _wrap_new_RotorDigit(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotamerList_setup(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36973:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36973 | SWIGINTERN VALUE _wrap_OBRotamerList_setup(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotamerList_add_rotamer(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37048:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37048 |     if (!_v) goto check_3; return _wrap_OBRotamerList_add_rotamer__SWIG_3(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37048:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37048 |     if (!_v) goto check_3; return _wrap_OBRotamerList_add_rotamer__SWIG_3(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotamerList_set_base_coordinate_sets(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37179:117: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37179 | SWIGINTERN VALUE _wrap_OBRotamerList_set_base_coordinate_sets(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolAtomIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37251:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37251 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37251:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37251 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37254:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37254 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37254:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37254 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37294:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37294 | SWIGINTERN VALUE _wrap_OBMolAtomIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37464:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37464 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37464:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37464 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37468:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37468 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37468:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37468 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37514:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37514 | SWIGINTERN VALUE _wrap_OBMolAtomIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37567:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37567 | SWIGINTERN VALUE _wrap_OBMolAtomIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37588:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37588 | SWIGINTERN VALUE _wrap_OBMolAtomIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37826:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37826 | SWIGINTERN VALUE _wrap_OBMolAtomIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38005:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38005 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38005:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38005 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38043:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38043 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38043:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38043 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38167:116: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
38167 | SWIGINTERN VALUE _wrap_OBMolAtomIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38465:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
38465 | SWIGINTERN VALUE _wrap_OBMolAtomIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38544:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38544 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38544:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38544 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38600:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
38600 | SWIGINTERN VALUE _wrap_OBMolAtomIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38630:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38630 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38630:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38630 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38642:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38642 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38642:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38642 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38657:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38657 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38657:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38657 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38659:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38659 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38659:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38659 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38710:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38710 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38710:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38710 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38715:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38715 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38715:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38715 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38720:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38720 |     if (!_v) goto check_3; return _wrap_OBMolAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38720:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38720 |     if (!_v) goto check_3; return _wrap_OBMolAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38769:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38769 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38769:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38769 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38781:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38781 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38781:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38781 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolAtomDFSIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38900:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38900 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38900:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38900 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38903:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38903 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomDFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38903:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38903 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomDFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38946:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
38946 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39119:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39119 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39119:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39119 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39123:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39123 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39123:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39123 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39170:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39170 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39224:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39224 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39246:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39246 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39484:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39484 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39663:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39663 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39663:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39663 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39701:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39701 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39701:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39701 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39825:119: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39825 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40123:116: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40123 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40202:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40202 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40202:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40202 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40258:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40258 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40288:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40288 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40288:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40288 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40300:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40300 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40300:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40300 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40315:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40315 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40315:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40315 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40317:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40317 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40317:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40317 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40368:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40368 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40368:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40368 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40373:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40373 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40373:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40373 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40378:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40378 |      if (!_v) goto check_3; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40378:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40378 |      if (!_v) goto check_3; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40427:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40427 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40427:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40427 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40439:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40439 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40439:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40439 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolAtomBFSIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40558:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40558 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40558:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40558 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40561:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40561 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40561:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40561 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40604:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40604 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40777:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40777 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40777:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40777 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40781:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40781 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40781:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40781 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40828:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40828 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40882:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40882 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40904:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40904 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41142:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
41142 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41321:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41321 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41321:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41321 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41359:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41359 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41359:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41359 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41483:119: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
41483 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41781:116: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
41781 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41860:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41860 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41860:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41860 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41916:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
41916 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41946:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41946 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41946:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41946 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41958:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41958 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41958:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41958 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41973:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41973 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41973:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41973 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41975:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41975 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41975:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41975 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42026:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42026 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42026:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42026 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42031:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42031 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42031:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42031 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42036:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42036 |      if (!_v) goto check_3; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42036:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42036 |      if (!_v) goto check_3; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42085:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42085 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42085:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42085 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42097:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42097 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42097:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42097 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolBondBFSIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42216:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42216 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42216:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42216 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42219:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42219 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42219:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42219 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42262:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42262 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42395:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42395 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42439:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42439 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_wedge(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42461:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42461 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42483:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42483 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_wedge_or_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42505:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42505 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42527:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42527 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_closure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42549:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42549 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_begin_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42621:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42621 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_end_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42645:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42645 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_is_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42743:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42743 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42908:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42908 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42938:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42938 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42938:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42938 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42950:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42950 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42950:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42950 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42965:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42965 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42965:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42965 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42967:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42967 |     if (!_v) goto check_2; return _wrap_OBMolBondBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42967:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42967 |     if (!_v) goto check_2; return _wrap_OBMolBondBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43018:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43018 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43018:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43018 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43023:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43023 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43023:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43023 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43028:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43028 |      if (!_v) goto check_3; return _wrap_OBMolBondBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43028:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43028 |      if (!_v) goto check_3; return _wrap_OBMolBondBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43077:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43077 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43077:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43077 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43089:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43089 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43089:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43089 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolBondIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43195:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43195 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43195:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43195 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43198:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43198 |     if (!_v) goto check_2; return _wrap_new_OBMolBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43198:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43198 |     if (!_v) goto check_2; return _wrap_new_OBMolBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43238:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43238 | SWIGINTERN VALUE _wrap_OBMolBondIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43360:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43360 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43403:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43403 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_wedge(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43424:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43424 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43445:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43445 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_wedge_or_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43466:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43466 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43487:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43487 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_closure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43508:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43508 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_begin_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43580:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43580 | SWIGINTERN VALUE _wrap_OBMolBondIter_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_end_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43604:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43604 | SWIGINTERN VALUE _wrap_OBMolBondIter_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_is_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43702:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43702 | SWIGINTERN VALUE _wrap_OBMolBondIter_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43867:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43867 | SWIGINTERN VALUE _wrap_OBMolBondIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43897:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43897 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43897:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43897 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43909:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43909 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43909:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43909 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43924:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43924 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43924:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43924 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43926:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43926 |     if (!_v) goto check_2; return _wrap_OBMolBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43926:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43926 |     if (!_v) goto check_2; return _wrap_OBMolBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43977:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43977 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43977:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43977 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43982:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43982 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43982:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43982 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43987:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43987 |     if (!_v) goto check_3; return _wrap_OBMolBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43987:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43987 |     if (!_v) goto check_3; return _wrap_OBMolBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44036:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44036 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44036:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44036 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44048:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44048 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44048:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44048 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBAtomAtomIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44156:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44156 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44156:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44156 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44159:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44159 |     if (!_v) goto check_2; return _wrap_new_OBAtomAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44159:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44159 |     if (!_v) goto check_2; return _wrap_new_OBAtomAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44200:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44200 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44362:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44362 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44362:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44362 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44366:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44366 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44366:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44366 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44413:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44413 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44466:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44466 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44487:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44487 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44725:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44725 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44904:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44904 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44904:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44904 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44942:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44942 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44942:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44942 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45066:117: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45066 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45364:114: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45364 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45443:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45443 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45443:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45443 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45499:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45499 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45529:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45529 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45529:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45529 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45541:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45541 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45541:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45541 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45556:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45556 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45556:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45556 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45558:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45558 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45558:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45558 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45609:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45609 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45609:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45609 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45614:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45614 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45614:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45614 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45619:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45619 |     if (!_v) goto check_3; return _wrap_OBAtomAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45619:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45619 |     if (!_v) goto check_3; return _wrap_OBAtomAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45668:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45668 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45668:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45668 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45680:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45680 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45680:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45680 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBAtomBondIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45788:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45788 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45788:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45788 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45791:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45791 |     if (!_v) goto check_2; return _wrap_new_OBAtomBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45791:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45791 |     if (!_v) goto check_2; return _wrap_new_OBAtomBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45832:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45832 | SWIGINTERN VALUE _wrap_OBAtomBondIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45955:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45955 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45998:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45998 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_wedge(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46019:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46019 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46040:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46040 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_wedge_or_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46061:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46061 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46082:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46082 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_closure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46103:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46103 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_begin_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46175:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46175 | SWIGINTERN VALUE _wrap_OBAtomBondIter_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_end_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46199:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46199 | SWIGINTERN VALUE _wrap_OBAtomBondIter_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_is_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46297:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46297 | SWIGINTERN VALUE _wrap_OBAtomBondIter_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46462:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46462 | SWIGINTERN VALUE _wrap_OBAtomBondIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46492:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46492 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46492:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46492 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46504:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46504 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46504:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46504 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46519:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46519 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46519:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46519 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46521:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46521 |     if (!_v) goto check_2; return _wrap_OBAtomBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46521:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46521 |     if (!_v) goto check_2; return _wrap_OBAtomBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46572:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46572 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46572:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46572 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46577:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46577 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46577:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46577 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46582:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46582 |     if (!_v) goto check_3; return _wrap_OBAtomBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46582:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46582 |     if (!_v) goto check_3; return _wrap_OBAtomBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46631:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46631 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46631:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46631 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46643:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46643 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46643:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46643 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBResidueIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46749:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46749 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46749:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46749 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46752:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46752 |     if (!_v) goto check_2; return _wrap_new_OBResidueIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46752:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46752 |     if (!_v) goto check_2; return _wrap_new_OBResidueIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46792:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46792 | SWIGINTERN VALUE _wrap_OBResidueIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_set_name(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46860:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46860 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46860:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46860 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_set_num(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46883:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46883 |     if (!_v) goto check_1; return _wrap_OBResidueIter_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46883:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46883 |     if (!_v) goto check_1; return _wrap_OBResidueIter_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_get_bonds(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47061:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47061 | SWIGINTERN VALUE _wrap_OBResidueIter_get_bonds(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47265:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47265 | SWIGINTERN VALUE _wrap_OBResidueIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47295:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47295 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47295:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47295 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47307:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47307 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47307:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47307 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47322:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47322 |     if (!_v) goto check_1; return _wrap_OBResidueIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47322:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47322 |     if (!_v) goto check_1; return _wrap_OBResidueIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47324:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47324 |     if (!_v) goto check_2; return _wrap_OBResidueIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47324:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47324 |     if (!_v) goto check_2; return _wrap_OBResidueIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47375:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47375 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47375:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47375 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47380:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47380 |     if (!_v) goto check_1; return _wrap_OBResidueIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47380:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47380 |     if (!_v) goto check_1; return _wrap_OBResidueIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47385:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47385 |     if (!_v) goto check_3; return _wrap_OBResidueIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47385:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47385 |     if (!_v) goto check_3; return _wrap_OBResidueIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47434:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47434 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47434:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47434 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47446:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47446 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47446:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47446 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBResidueAtomIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47559:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47559 |     if (!_v) goto check_2; return _wrap_new_OBResidueAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47559:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47559 |     if (!_v) goto check_2; return _wrap_new_OBResidueAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47601:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47601 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47769:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47769 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47769:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47769 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47773:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47773 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47773:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47773 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47820:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47820 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47874:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47874 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47896:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47896 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48134:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
48134 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48314:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48314 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48314:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48314 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48352:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48352 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48352:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48352 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48476:120: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
48476 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48774:117: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
48774 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48853:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48853 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48853:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48853 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48909:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
48909 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48939:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48939 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48939:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48939 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48951:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48951 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48951:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48951 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48966:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48966 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48966:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48966 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48968:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48968 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48968:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48968 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49019:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49019 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49019:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49019 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49024:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49024 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49024:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49024 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49029:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49029 |      if (!_v) goto check_3; return _wrap_OBResidueAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49029:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49029 |      if (!_v) goto check_3; return _wrap_OBResidueAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49078:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49078 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49078:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49078 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49090:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49090 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49090:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49090 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolAngleIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49198:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49198 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49198:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49198 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49201:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49201 |     if (!_v) goto check_2; return _wrap_new_OBMolAngleIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49201:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49201 |     if (!_v) goto check_2; return _wrap_new_OBMolAngleIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolTorsionIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49277:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49277 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49277:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49277 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49280:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49280 |     if (!_v) goto check_2; return _wrap_new_OBMolTorsionIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49280:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49280 |     if (!_v) goto check_2; return _wrap_new_OBMolTorsionIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolPairIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49354:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49354 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49354:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49354 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49357:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49357 |     if (!_v) goto check_2; return _wrap_new_OBMolPairIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49357:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49357 |     if (!_v) goto check_2; return _wrap_new_OBMolPairIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolRingIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49429:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49429 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc)make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
; ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49429:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49429 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49432:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49432 |     if (!_v) goto check_2; return _wrap_new_OBMolRingIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49432:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49432 |     if (!_v) goto check_2; return _wrap_new_OBMolRingIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolRingIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49472:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
49472 | SWIGINTERN VALUE _wrap_OBMolRingIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolRingIter__path_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49528:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49528 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49528:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49528 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolRingIter_set_type__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49594:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49594 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49594:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49594 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolRingIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49611:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49611 |     if (!_v) goto check_1; return _wrap_OBMolRingIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49611:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49611 |     if (!_v) goto check_1; return _wrap_OBMolRingIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBChargeModel__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49731:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49731 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49731:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49731 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBChargeModel__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49750:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49750 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return self; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49750:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49750 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return self; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBChargeModel(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49752:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49752 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49752:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49752 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49751:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
49751 | SWIGINTERN VALUE _wrap_new_OBChargeModel(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBChargeModel_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49765:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49765 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49765:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49765 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBChargeModel_compute_charges__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49796:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49796 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49796:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49796 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBChargeModel_compute_charges(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49797:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
49797 | SWIGINTERN VALUE _wrap_OBChargeModel_compute_charges(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPhModel_correct_for_ph(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49972:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
49972 | SWIGINTERN VALUE _wrap_OBPhModel_correct_for_ph(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBGraphSym(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50012:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50012 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50012:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50012 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50011:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50011 | SWIGINTERN VALUE _wrap_new_OBGraphSym(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_get_instance__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50068:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50068 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50068:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50068 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_get_instance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50079:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50079 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_get_instance(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_map_first(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50128:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50128 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_first(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_map_unique(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50178:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50178 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_unique(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_map_all(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50256:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50256 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_all(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_map_generic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50306:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50306 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_generic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50377:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50377 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50377:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50377 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50408:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50408 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50408:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50408 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50434:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50434 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50434:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50434 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_6(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50525:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50525 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50525:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50525 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_7(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50546:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50546 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50546:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50546 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50548:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50548 |   if (argc > 5) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50548:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50548 |   if (argc > 5) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50551:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50551 |     if (!_v) goto check_2; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50551:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50551 |     if (!_v) goto check_2; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50562:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50562 |     if (!_v) goto check_5; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50562:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50562 |     if (!_v) goto check_5; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50572:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50572 |     if (!_v) goto check_6; return _wrap_find_automorphisms__SWIG_6(nargs, args, self);}  check_6: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50572:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50572 |     if (!_v) goto check_6; return _wrap_find_automorphisms__SWIG_6(nargs, args, self);}  check_6: if (argc == 4) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBQueryAtom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50629:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50629 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50629:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50629 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50628:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50628 | SWIGINTERN VALUE _wrap_new_OBQueryAtom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBQueryBond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50741:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50741 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50741:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50741 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50740:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50740 | SWIGINTERN VALUE _wrap_new_OBQueryBond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_compile_molecule_query(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50914:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50914 | SWIGINTERN VALUE _wrap_compile_molecule_query(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_compile_smiles_query__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50936:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50936 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50936:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50936 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_compile_smiles_query__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50946:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50946 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50946:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50946 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_compile_smiles_query(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50948:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50948 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50948:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50948 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50947:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50947 | SWIGINTERN VALUE _wrap_compile_smiles_query(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50984:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50984 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50984:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50984 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51013:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51013 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51013:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51013 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51039:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51039 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51039:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51039 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51060:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51060 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51060:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51060 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51062:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51062 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51062:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51062 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51061:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51061 | SWIGINTERN VALUE _wrap_canonical_labels(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBStereo_make_refs(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51111:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51111 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51111:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51111 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51110:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51110 | SWIGINTERN VALUE _wrap_OBStereo_make_refs(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBStereoUnit(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51255:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51255 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51255:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51255 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51254:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51254 | SWIGINTERN VALUE _wrap_new_OBStereoUnit(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBStereoFacade(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51396:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51396 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51396:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51396 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51395:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51395 | SWIGINTERN VALUE _wrap_new_OBStereoFacade(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_perceive_stereo(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51545:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51545 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51545:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51545 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51544:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51544 | SWIGINTERN VALUE _wrap_perceive_stereo(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_stereo_from_2d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51587:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51587 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51587:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51587 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51586:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51586 | SWIGINTERN VALUE _wrap_stereo_from_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_stereo_from_3d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51609:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51609 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51609:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51609 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51608:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51608 | SWIGINTERN VALUE _wrap_stereo_from_3d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_tetrahedral_from_3d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51660:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51660 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51660:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51660 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51659:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51659 | SWIGINTERN VALUE _wrap_tetrahedral_from_3d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_tetrahedral_from_2d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51707:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51707 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51707:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51707 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51706:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51706 | SWIGINTERN VALUE _wrap_tetrahedral_from_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_tetrahedral_from_0d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51754:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51754 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51754:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51754 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51753:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51753 | SWIGINTERN VALUE _wrap_tetrahedral_from_0d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_cis_trans_from_3d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51801:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51801 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51801:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51801 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51800:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51800 | SWIGINTERN VALUE _wrap_cis_trans_from_3d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_cis_trans_from_2d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51879:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51879 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51879:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51879 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51878:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51878 | SWIGINTERN VALUE _wrap_cis_trans_from_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_cis_trans_from_0d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51993:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51993 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51993:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51993 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51992:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51992 | SWIGINTERN VALUE _wrap_cis_trans_from_0d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_stereogenic_units__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52017:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
52017 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52017:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
52017 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_stereogenic_units__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52041:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
52041 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52041:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
52041 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_stereogenic_units(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52042:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
52042 | SWIGINTERN VALUE _wrap_find_stereogenic_units(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘void* _p_OpenBabel__CharPtrLessTo_p_std__binary_functionT_char_const_p_char_const_p_bool_t(void*, int*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:53298:27: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
53298 |     return (void *)((std::binary_function< char const *,char const *,bool > *)  ((OpenBabel::CharPtrLess *) x));
      |                           ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 94%] Building CXX object scripts/CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbindings_perl_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/python3.13 -I/usr/lib64/perl5/CORE -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT scripts/CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o -MF CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o.d -o CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/generic.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:1794:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:1795:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:74:12: note:   by ‘double OpenBabel::OBGridData::GetValue(int, int, int) const’
   74 |     double GetValue(int i, int j, int k) const;
      |            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:1805:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/stdexcept:41,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:1768:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorInt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2798:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 2798 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2798:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 2798 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorUnsignedInt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2899:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 2899 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2899:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 2899 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2903:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 2903 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2903:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 2903 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2905:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 2905 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2905:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 2905 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorVInt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3016:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3016 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3016:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3016 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3020:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3020 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3020:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3020 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorString(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3237:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3237 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3237:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3237 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3241:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3241 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3241:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3241 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3243:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3243 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3243:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3243 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorVector3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3352:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3352 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3352:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3352 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3356:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3356 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3356:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3356 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3358:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3358 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3358:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3358 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorOBMol(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3471:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3471 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3471:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3471 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3475:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3475 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3475:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3475 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3477:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3477 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3477:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3477 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorOBBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3590:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3590 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3590:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3590 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3594:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3594 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3594:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3594 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3596:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3596 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3596:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3596 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorOBResidue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3709:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3709 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3709:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3709 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3713:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3713 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3713:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3713 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorOBRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3829:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3829 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3829:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3829 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3833:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3833 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3833:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3833 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3835:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3835 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3835:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3835 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorpOBRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3954:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3954 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3954:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3954 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGlobalDataBase_SetReadDirectory(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4336:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4336 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:785:
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4336:47: note: in expansion of macro ‘XSRETURN’
 4336 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGlobalDataBase_SetEnvironmentVariable(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4347:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4347 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4347:47: note: in expansion of macro ‘XSRETURN’
 4347 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGlobalDataBase_ParseLine(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4358:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4358 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4358:47: note: in expansion of macro ‘XSRETURN’
 4358 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_SetFromType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4522:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4522 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4522:47: note: in expansion of macro ‘XSRETURN’
 4522 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_SetToType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4534:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4534 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4534:47: note: in expansion of macro ‘XSRETURN’
 4534 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_Translate__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4549:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4549 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4549:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4549 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4550:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4550 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4550:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4550 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_Translate__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4569:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4569 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4569:43: note: in expansion of macro ‘XSRETURN’
 4569 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_Translate__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4582:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4582 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4582:43: note: in expansion of macro ‘XSRETURN’
 4582 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_Translate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4586:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4586 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4586:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4586 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4588:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4588 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4588:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4588 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4592:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4592 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4592:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4592 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4594:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4594 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4594:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4594 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4596:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4596 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4596:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4596 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4600:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4600 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4600:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4600 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_SetResName(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4641:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4641 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4641:43: note: in expansion of macro ‘XSRETURN’
 4641 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_LookupBO__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4654:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4654 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4654:43: note: in expansion of macro ‘XSRETURN’
 4654 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_LookupBO__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4673:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4673 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4673:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4673 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4674:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4674 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4674:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4674 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_LookupBO(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4678:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4678 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4678:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4678 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4680:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4680 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4680:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4680 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4684:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4684 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4684:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4684 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4686:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4686 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4686:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4686 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4688:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4688 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4688:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4688 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_LookupType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4715:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4715 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4715:43: note: in expansion of macro ‘XSRETURN’
 4715 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_vector3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4910:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4910 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4910:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4910 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_begin(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4969:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4969:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4973:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4973 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4973:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4973 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_end(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4990:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4990 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4990:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4990 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4994:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4994 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4994:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4994 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_Set(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5029:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5029 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5029:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5029 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5035:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5035 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5035:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5035 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_add(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5153:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5153 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5153:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5153 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5155:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5155 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5155:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5155 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5159:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5159 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5159:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5159 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_x(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5233:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5233 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5233:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5233 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5237:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5237 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5237:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5237 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_y(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5252:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5252:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5256:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5256:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_z(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5271:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5271 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5271:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5271 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5275:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5275 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5275:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5275 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_matrix3x3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5685:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5685 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5685:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5685 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5687:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5687 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5687:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5687 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5689:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5689 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5689:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5689 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_matrix3x3___call__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5741:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5741 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5741:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5741 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5748:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5748 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5748:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5748 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap___mul__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5997:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5997 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5997:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5997 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6017:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6017 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6017:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6017 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBBitVec(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6088:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6088 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6088:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6088 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBitVec_FirstBit(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6173:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6173 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6173:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6173 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6177:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6177 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6177:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6177 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6179:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6179 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6179:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6179 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBitVec_FromString(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6285:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6285 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6285:43: note: in expansion of macro ‘XSRETURN’
 6285 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap___sub__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6414:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6414 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6414:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6414 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6418:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6418 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6418:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6418 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6420:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6420 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6420:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6420 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBGenericData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6570:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6570 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6570:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6570 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6572:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6572 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6572:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6572 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6576:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6576 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6576:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6576 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6578:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6578 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6578:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6578 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGenericData_SetAttribute(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6618:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6618 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6618:43: note: in expansion of macro ‘XSRETURN’
 6618 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6719:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6719 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6719:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6719 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6723:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6723 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6723:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6723 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6739:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6739 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6739:47: note: in expansion of macro ‘XSRETURN’
 6739 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6753:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6753 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6753:43: note: in expansion of macro ‘XSRETURN’
 6753 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6764:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6764 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6764:47: note: in expansion of macro ‘XSRETURN’
 6764 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6780:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6780 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6780:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6780 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6782:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6782 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6782:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6782 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6786:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6786 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6786:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6786 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6788:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6788 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6788:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6788 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6792:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6792 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6792:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6792 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6846:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6846 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6846:43: note: in expansion of macro ‘XSRETURN’
 6846 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6850:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6850 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6850:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6850 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6852:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6852 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6852:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6852 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6856:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6856 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6856:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6856 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6862:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6862 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6862:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6862 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6864:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6864 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6864:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6864 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6868:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6868 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6868:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6868 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6870:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6870 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6870:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6870 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6917 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6917:43: note: in expansion of macro ‘XSRETURN’
 6917 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6929:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6929 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6929:47: note: in expansion of macro ‘XSRETURN’
 6929 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6972:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6972 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6972:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6972 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6976:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6976:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6978:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6978 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6978:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6978 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6982:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6982 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6982:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6982 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6988:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6988 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6988:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6988 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6990:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6990 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6990:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6990 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6994:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6994 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6994:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6994 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBCommentData_SetData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7061:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7061 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7061:43: note: in expansion of macro ‘XSRETURN’
 7061 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBCommentData_SetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7071:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7071 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7071:47: note: in expansion of macro ‘XSRETURN’
 7071 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBCommentData_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7076:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7076 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7076:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7076 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7078:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7078 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7078:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7078 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7082:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7082 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7082:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7082 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBExternalBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7145:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7145 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7145:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7145 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7147:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7147 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7147:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7147 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPairData_SetValue__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7272:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7272 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7272:47: note: in expansion of macro ‘XSRETURN’
 7272 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPairData_SetValue__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7285:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7285 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7285:43: note: in expansion of macro ‘XSRETURN’
 7285 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPairData_SetValue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7289:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7289 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7289:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7289 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7291:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7291 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7291:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7291 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7295:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7295 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7295:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7295 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSetData_GetData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7345:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7345 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7345:47: note: in expansion of macro ‘XSRETURN’
 7345 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSetData_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7359:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7359 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7359:43: note: in expansion of macro ‘XSRETURN’
 7359 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSetData_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7372:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7372 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7372:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7372 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7376:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7376 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7376:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7376 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7378:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7378 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7378:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7378 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7382:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7382 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7382:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7382 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBVirtualBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7468:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7468 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7468:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7468 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7470:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7470 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7470:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7470 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7474:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7474 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7474:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7474 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7476:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7476 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7476:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7476 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7478:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7478 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7478:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7478 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7732:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7732 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7732:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7732 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7738:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7738:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7740:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7740 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7740:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7740 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7742:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7742 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7742:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7742 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7744:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7744 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7744:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7744 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7748:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7748 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7748:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7748 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_SetSpaceGroup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7812:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7812 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7812:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7812 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7814:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7814 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7814 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7818:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7818 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7818:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7818 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7824:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7824 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7824:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7824 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7826:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7826 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7826:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7826 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetA(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7872:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7872 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7872:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7872 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7876:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7876 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7876:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7876 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetB(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7900:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7900 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7900:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7900 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7904:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7904 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7904:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7904 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetC(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7928:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7928 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7928:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7928 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7932:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7932 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7932:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7932 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetAlpha(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7957:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7957 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7957:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7957 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7961:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7961 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7961:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7961 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetBeta(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7986:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7986 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7986:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7986 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7990:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7990 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7990:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7990 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetGamma(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8015:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8015 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8015:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8015 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8019:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8019 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8019:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8019 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetOffset(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8043:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8043 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8043:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8043 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8047:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8047:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetSpaceGroup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8072:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8072 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8072:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8072 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8076:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8076 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8076:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8076 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetSpaceGroupName(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8101:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8101 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8101:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8101 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8105:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8105 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8105:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8105 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetLatticeType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8154:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8154 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8154:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8154 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8158:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8158 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8158:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8158 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8162:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8162 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8162:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8162 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8168:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8168 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8168:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8168 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetCellVectors(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8201:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8201 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8201:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8201 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8205:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8205 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8205:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8205 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetCellMatrix(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8229:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8229 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8229:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8229 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8233:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8233 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8233:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8233 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetOrthoMatrix(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8258:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8258 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8258:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8258 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8262:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8262 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8262:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8262 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetOrientationMatrix(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8287:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8287 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8287:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8287 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8291:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8291 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8291:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8291 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetFractionalMatrix(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8316:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8316 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8316:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8316 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8320:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8320:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_FractionalToCartesian(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8358:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8358 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8358:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8358 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8360:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8360 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8360:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8360 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8364:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8364 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8364:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8364 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8366:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8366 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8366:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8366 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_CartesianToFractional(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8404:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8404 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8404 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8406:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8406 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8406:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8406 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8410:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8410 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8410:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8410 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8412:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8412 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8412:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8412 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_WrapCartesianCoordinate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8450:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8450 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8450:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8450 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8452:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8452 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8452:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8452 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8456:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8456 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8456:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8456 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8458:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8458 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8458:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8458 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_WrapFractionalCoordinate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8496:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8496 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8496:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8496 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8498:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8498 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8498:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8498 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8502:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8502 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8502:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8502 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8504:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8504 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8504:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8504 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_UnwrapCartesianNear(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8552:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8552 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8552:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8552 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8554:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8554 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8554:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8554 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8556:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8556 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8556:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8556 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8560:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8560 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8560:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8560 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8562:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8562 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8562:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8562 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8564:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8564 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8564:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8564 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_UnwrapFractionalNear(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8612:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8612 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8612:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8612 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8614:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8614 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8614:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8614 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8616:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8616 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8616:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8616 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8620:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8620:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8622:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8622 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8622:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8622 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8624:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8624 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8624:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8624 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_MinimumImageCartesian(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8662:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8662 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8662:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8662 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8664:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8664 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8664:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8664 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8668:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8668 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8668:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8668 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8670:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8670 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8670:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8670 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_MinimumImageFractional(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8708:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8708 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8708:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8708 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8710:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8710 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8710:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8710 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8714:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8714 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8714:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8714 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8716:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8716 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8716:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8716 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetSpaceGroupNumber(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8764:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8764 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8764:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8764 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8768:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8768 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8768:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8768 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8772:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8772 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8772:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8772 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8774:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8774 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8774:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8774 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8778:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8778 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8778:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8778 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8780:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8780 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8780:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8780 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetCellVolume(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8807:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8807 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8807:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8807 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8811:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8811 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8811:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8811 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSymmetryData_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9039:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9039 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9039:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9039 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9041:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9041 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9041:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9041 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9045:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9045 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9045:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9045 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9047:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9047:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9049:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9049 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9049:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9049 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTorsion_AddTorsion(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9170:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9170 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9170:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9170 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9176:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9176 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9176:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9176 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9178:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9178 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9178:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9178 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9180:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9180 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9180:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9180 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9182:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9182 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9182:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9182 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9184:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9184 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9184:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9184 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTorsion_SetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9218:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9218 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9218:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9218 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9224:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9224 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9224:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9224 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9228:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9228 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9228:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9228 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTorsion_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9278:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9278 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9278:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9278 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9280:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9280 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9280:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9280 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9284:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9284 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9284:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9284 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9286:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9286 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9286:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9286 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9288:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9288:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9402:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9402 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9402:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9402 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAngle_SetAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9484:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9484:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9490:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9490 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9490:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9490 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9492:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9492 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9492:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9492 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9494:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9494 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9494:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9494 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9496:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9496 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9496:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9496 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAngleData_FillAngleArray(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9542:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9542 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9542:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9542 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9548:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9548 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9548:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9548 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9552:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9552 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9552:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9552 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBVibrationData_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9723:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9723 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9723:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9723 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9734:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9734 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9734:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9734 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9738:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9738:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9749:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9749 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< double >* v;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9749:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9749 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< double >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOrbital_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9929:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9929 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9929:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9929 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9935:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9935 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9935:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9935 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9943:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9943 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9943:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9943 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9949:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9949 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9949:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9949 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOrbitalData_SetHOMO(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10052:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10052:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10058:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10058:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBVectorData_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10440:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10440 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10440:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10440 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10442:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10442 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10442:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10442 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10446:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10446 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10446:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10446 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_GetAxes(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10823:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10823 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10823:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10823 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10833:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10833 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10833:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10833 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10835:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10835 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10835:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10835 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10837:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10837 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10837:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10837 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10839:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10839 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10839:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10839 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_GetNumberOfPoints(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10879:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10879 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10879:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10879 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10883:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10883:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10885:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10885 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10885:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10885 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10887:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10887 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10887:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10887 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10889:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10889 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10889:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10889 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_GetValue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10946:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10946 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10946:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10946 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10948:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10948 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10948:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10948 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10952:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10952 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10952:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10952 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_GetOriginVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11011:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11011 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11011:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11011 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11015:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11015 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11015:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11015 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_SetLimits(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11118:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11118:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11120:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11120 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11120:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11120 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11122:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11122 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11122:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11122 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11124:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11124 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11124:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11124 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11126:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11126 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11126:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11126 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11130:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11130 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11130:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11130 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_Dummy(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11205:45: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11205 | XS(_wrap_new_Dummy) { { int argvi = 0; std::binary_function< char const *,char const *,bool > *result = 0 ; dXSARGS;
      |                                             ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11207:20: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11207 |     result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                    ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11207:81: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11207 |     result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                                                                                 ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_delete_Dummy(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11211:10: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11211 |     std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *) 0 ;
      |          ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11211:74: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11211 |     std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *) 0 ;
      |                                                                          ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11217:36: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11217 |      arg1 = reinterpret_cast< std::binary_function< char const *,char const *,bool > * >(argp1); delete arg1;
      |                                    ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_CharPtrLess___call__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11233:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11233 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11233:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11233 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11234:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11234 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11234:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11234 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_Display__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11282:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11282 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11282:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11282 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11283:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11283 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11283:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11283 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_Display__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11300:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11300 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11300:47: note: in expansion of macro ‘XSRETURN’
11300 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_Display(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11305:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11305:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11307:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11307:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11313:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11313 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11313:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11313 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11315:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11315 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11315:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11315 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_GetPlugin(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11356:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11356 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11356:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11356 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11357:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11357 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11357:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11357 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_ListAsVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11380:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11380 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11380:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11380 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11381:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11381 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11381:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11381 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_List__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11413:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11413 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11413:47: note: in expansion of macro ‘XSRETURN’
11413 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_List(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11421:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11421 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11421:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11421 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11426:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11426 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11426:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11426 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_ListAsString__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11445:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11445 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11445:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11445 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11446:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11446 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11446:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11446 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_ListAsString__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11454:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11454 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11454:47: note: in expansion of macro ‘XSRETURN’
11454 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_ListAsString(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11462:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11462 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11462:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11462 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_FirstLine(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11475:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11475 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11475:47: note: in expansion of macro ‘XSRETURN’
11475 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_Begin(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11484:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11484 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11484:47: note: in expansion of macro ‘XSRETURN’
11484 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_End(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11493:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11493 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11493:47: note: in expansion of macro ‘XSRETURN’
11493 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11552:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11552 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11552:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11552 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11553 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11553:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11553 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11554:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11554 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11554:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11554 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11555:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11555 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11555:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11555 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11589:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11589 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11589:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11589 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11590:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11590 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11590:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11590 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11591:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11591 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11591:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11591 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11592:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11592 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11592:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11592 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11619:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11619 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11619:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11619 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11620:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11620 |     if (SWIG_IsNewObj(res4)) delete arg4; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11620:43: note: in expansion of macro ‘XSRETURN’
11620 |     if (SWIG_IsNewObj(res4)) delete arg4; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11621:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11621 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11621:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11621 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11644:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11644 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11644:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11644 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11646:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11646 |     if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11646:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11646 |     if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_4(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11662:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11662 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11662:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11662 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11663:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11663 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11663:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11663 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_5(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11673:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11673 |     if (SWIG_IsNewObj(res1)) delete arg1; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11673:43: note: in expansion of macro ‘XSRETURN’
11673 |     if (SWIG_IsNewObj(res1)) delete arg1; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11686:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11686 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11686:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11686 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11688:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11688 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11688:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11688 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11692:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11692 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11692:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11692 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11694:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11694 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11694:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11694 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11696:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11696 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11696:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11696 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11700:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11700 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11700:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11700 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11702:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11702 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11702:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11702 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11704:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11704 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11704:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11704 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11706:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11706 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11706:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11706 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11710:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11710 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11710:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11710 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11712:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11712 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11712:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11712 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11714:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11714 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11714:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11714 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11716:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11716 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11716:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11716 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11718:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11718 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11718:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11718 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11722:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11722 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11722:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11722 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11724:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11724 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11724:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11724 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11726:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11726 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11726:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11726 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11728:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11728 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11728:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11728 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11730:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11730 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11730:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11730 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap___lshift__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11768:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11768 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11768:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11768 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11770:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11770 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11770:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11770 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11774:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11774 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11774:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11774 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11780:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11780 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11780:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11780 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11786:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11786 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11786:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11786 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11788:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11788 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11788:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11788 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMessageHandler_ThrowError__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11928:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11928 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11928:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11928 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11929:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11929 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11929:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11929 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMessageHandler_ThrowError__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11950:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11950 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11950:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11950 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11951:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11951 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11951:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11951 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMessageHandler_ThrowError__SWIG_4(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11969:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11969 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11969:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11969 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11970:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11970 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11970:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11970 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMessageHandler_ThrowError(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11974:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11974 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11974:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11974 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11976:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11976 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11976:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11976 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11980:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11980 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11980:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11980 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11982:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11982 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11982:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11982 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11988:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11988 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11988:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11988 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11990:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11990 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11990:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11990 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11992:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11992 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11992:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11992 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11996:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11996 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11996:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11996 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11998:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11998 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11998:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11998 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12000:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12000 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12000:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12000 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12006:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12006 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12006:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12006 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12008:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12008 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12008:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12008 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12010:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12010 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12010:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12010 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_FindType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12194:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12194 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12194:47: note: in expansion of macro ‘XSRETURN’
12194 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_RegisterFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12324:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12324 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12324:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12324 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12325:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12325 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12325:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12325 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_RegisterFormat__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12336:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12336 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12336:47: note: in expansion of macro ‘XSRETURN’
12336 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_RegisterFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12341:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12341 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12341:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12341 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12347:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12347:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_Display__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12373:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12373 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12373:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12373 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12374:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12374 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12374:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12374 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_Display__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12391:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12391 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12391:47: note: in expansion of macro ‘XSRETURN’
12391 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_Display(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12396:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12396 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12396:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12396 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12398:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12398 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12398:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12398 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12404:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12406:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12406:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_FormatFromMIME(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12422:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12422 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12422:47: note: in expansion of macro ‘XSRETURN’
12422 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBConversion(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12498:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12498 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12498:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12498 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12509:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12509 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12509:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12509 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RegisterFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12539:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12539 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12539:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12539 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12540:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12540 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12540:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12540 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RegisterFormat__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12553 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12553:47: note: in expansion of macro ‘XSRETURN’
12553 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RegisterFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12560:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12560 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12560:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12560 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12566:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12566 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12566:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12566 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FindFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12581:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12581 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12581:47: note: in expansion of macro ‘XSRETURN’
12581 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FindFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12595:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12595 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12595:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12595 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FormatFromExt__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12612:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12612 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12612:47: note: in expansion of macro ‘XSRETURN’
12612 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FormatFromExt__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12627:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12627 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12627:47: note: in expansion of macro ‘XSRETURN’
12627 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FormatFromExt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12655:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12655 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12655:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12655 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12670:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12670 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12670:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12670 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FormatFromMIME(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12685:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12685 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12685:47: note: in expansion of macro ‘XSRETURN’
12685 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInStream(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12735:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12735 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12735:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12735 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12741:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12741 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12741:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12741 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOutStream(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12777:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12777 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12777:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12777 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12783:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12783 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12783:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12783 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInAndOutFormats__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12812:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12812 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12812:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12812 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12813:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12813 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12813:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12813 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInAndOutFormats__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12830:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12830 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12830:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12830 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12831:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12831 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12831:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12831 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInAndOutFormats__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12845:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12845 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12845:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12845 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12846:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12846 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12846:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12846 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInAndOutFormats(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12906:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12906 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12906:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12906 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12908:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12908 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12908:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12908 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12910:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12910 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12910:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12910 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12914:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12914 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12914:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12914 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12921:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12921 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12921:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12921 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12923:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12923 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12923:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12923 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12925:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12925 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12925:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12925 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12931:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12931 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12931:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12931 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12940:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12940 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12940:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12940 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12942:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12942 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12942:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12942 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12944:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12944 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12944:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12944 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12952:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12952 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12952:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12952 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12982:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12982 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12982:47: note: in expansion of macro ‘XSRETURN’
12982 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInFormat__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12994:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12994 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12994:47: note: in expansion of macro ‘XSRETURN’
12994 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13026:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13026 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13026:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13026 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13028:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13028 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13028:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13028 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13032:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13032 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13032:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13032 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13038:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13038 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13038:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13038 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13040:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13040 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13040:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13040 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13046:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13046 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13046:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13046 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOutFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13071:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13071 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13071:47: note: in expansion of macro ‘XSRETURN’
13071 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOutFormat__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13083:47: note: in expansion of macro ‘XSRETURN’
13083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOutFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13115:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13115 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13115:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13115 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13117:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13117 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13117:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13117 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13121:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13121 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13121:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13121 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13127:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13127 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13127:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13127 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13129:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13129 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13129:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13129 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13135:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13135 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13135:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13135 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_IsOption__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13258:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13258 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13258:47: note: in expansion of macro ‘XSRETURN’
13258 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_IsOption(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13274:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13274 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13274:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13274 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13280:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13280 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13280:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13280 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_AddOption__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13335:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13335 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13335:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13335 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_AddOption__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13345:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13345 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13345:47: note: in expansion of macro ‘XSRETURN’
13345 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_AddOption(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13350:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13350 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13350:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13350 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13356:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13356 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13356:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13356 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13363:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13363 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13363:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13363 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RemoveOption(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13389:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13389 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13389:47: note: in expansion of macro ‘XSRETURN’
13389 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOptions(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13405:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13405 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13405:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13405 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RegisterOptionParam(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13454:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13454 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13454:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13454 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13456:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13456 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13456:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13456 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13460:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13460 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13460:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13460 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13462:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13462 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13462:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13462 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13469:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13469 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13469:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13469 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_CopyOptions(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13518:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13518 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13518:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13518 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13520:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13520 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13520:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13520 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13524:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13524 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13524:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13524 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13526:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13526 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13526:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13526 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_Convert(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13577:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13577 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13577:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13577 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13581:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13581 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13581:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13581 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetFirstInput(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13671:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13671 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13671:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13671 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13675:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13675 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13675:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13675 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOneObjectOnly(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13728:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13728 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13728:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13728 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13732:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13732 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13732:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13732 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_Write(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13800:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13800 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13800:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13800 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13802:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13802 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13802:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13802 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13806:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13806 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13806:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13806 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13808:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13808 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13808:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13808 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_WriteString(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13845:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13845 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13845:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13845 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13847:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13847 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13847:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13847 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13851:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13851 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13851:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13851 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13853:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13853 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13853:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13853 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_Read(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13911:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13911 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13911:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13911 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13913:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13913:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13917:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13917:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13919:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13919 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13919:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13919 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_ReportNumberConverted(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13998:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13998 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13998:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13998 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14004:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14004 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14004:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14004 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14008:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14008 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14008:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14008 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidue_SetName(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14093:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14093 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14093:43: note: in expansion of macro ‘XSRETURN’
14093 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidue_SetNum(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14117:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14117 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14117:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14117 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14119:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14119 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14119:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14119 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14123:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14123 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14123:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14123 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14125:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14125 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14125:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14125 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidue_SetAtomID(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14185:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14185 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14185:43: note: in expansion of macro ‘XSRETURN’
14185 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidue_GetBonds(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14310:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14310 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14310:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14310 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14314:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14314 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14314:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14314 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBInternalCoord(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14689:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14689 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14689:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14689 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14693:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14693 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14693:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14693 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14695:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14695 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14695:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14695 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14699:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14699 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14699:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14699 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14701:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14701 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14701:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14701 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14703:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14703 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14703:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14703 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14707:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14707 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14707:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14707 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14709:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14709 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14709:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14709 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14711:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14711 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14711:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14711 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14717:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14717 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14717:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14717 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14719:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14719 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14719:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14719 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14721:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14721 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14721:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14721 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14729:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14729 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14729:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14729 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14731:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14731 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14731:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14731 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14733:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14733 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14733:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14733 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14895:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14895 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14895:47: note: in expansion of macro ‘XSRETURN’
14895 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14908:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14908 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14908:43: note: in expansion of macro ‘XSRETURN’
14908 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14912:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14912 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14912:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14912 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14914:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14914 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14914:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14914 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14918:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14918 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14918:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14918 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14983:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14983 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14983:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14983 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14987:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14987 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14987:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14987 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14989:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14989 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14989:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14989 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14993:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14993 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14993:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14993 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15044:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15044 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15044:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15044 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15048:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15048 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15048:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15048 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15074:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15074 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15074:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15074 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15078:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15078 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15078:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15078 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15316:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15316 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15316:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15316 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15320:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15320:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15483:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15483 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15483:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15483 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15485:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15485 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15485:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15485 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15489:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15489 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15489:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15489 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15491:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15491 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15491:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15491 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15495:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15495 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15495:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15495 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15534:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15534 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15534:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15534 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15536:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15536 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15536:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15536 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15538:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15538 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15538:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15538 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15542:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15542 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15542:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15542 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15674:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15674 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15674:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15674 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15678:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15678 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15678:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15678 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15966:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15966 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15966:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15966 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15970:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15970 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15970:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15970 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16044:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16044 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16044:47: note: in expansion of macro ‘XSRETURN’
16044 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetLength(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16160:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16160 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16160:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16160 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16166:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16166 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16166:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16166 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16168:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16168 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16168:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16168 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16217:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16217 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16217:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16217 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16221:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16221 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16221:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16221 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetWedge(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16247:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16247 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16247:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16247 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16251:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16251 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16251:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16251 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16277:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16277 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16277:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16277 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16281:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16281 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16281:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16281 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetWedgeOrHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16307:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16307:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16311:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16311 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16311:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16311 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16337:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16337 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16337:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16337 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16341:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16341 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16341:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16341 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetClosure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16367:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16367 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16367:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16367 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16371:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16371 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16371:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16371 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_GetBeginAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16447:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16447 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16447:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16447 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16451:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16451:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_GetEndAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16476:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16476 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16476:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16476 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16480:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16480 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16480:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16480 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_IsRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16576:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16576 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16576:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16576 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16580:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16580 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16580:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16580 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBMol(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16699:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16699 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16699:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16699 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AddAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16799:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16799 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16799:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16799 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16801:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16801 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16801:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16801 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16805:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16805 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16805:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16805 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16807:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16807 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16807:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16807 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AddBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16897:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16897 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16897:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16897 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16899:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16899 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16899:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16899 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16903:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16903 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16903:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16903 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16912:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16912 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16912:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16912 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16922:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16922 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16922:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16922 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_NewAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16972:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16972 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16972:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16972 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16976:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16976:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16978:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16978 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16978:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16978 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_NewBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17005:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17005 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17005:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17005 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17009:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17009 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17009:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17009 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17011:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17011 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17011:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17011 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_DeleteAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17053:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17053 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17053:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17053 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17055:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17055 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17055:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17055 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17059:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17059 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17059:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17059 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17061:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17061 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17061:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17061 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_DeleteBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17098:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17098 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17098:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17098 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17100:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17100 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17100:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17100 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17104:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17104 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17104:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17104 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17106:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17106 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17106:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17106 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_DeleteResidue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17143:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17143 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17143:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17143 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17145:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17145 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17145:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17145 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17149:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17149 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17149:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17149 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17151:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17151 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17151:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17151 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_EndModify(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17183:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17183 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17183:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17183 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17187:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17187 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17187:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17187 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17239:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17239 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17239:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17239 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17243:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17243:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_NumRotors(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17302:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17302 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17302:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17302 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17306:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17306 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17306:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17306 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17401:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17401 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17401:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17401 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17407:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17407 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17407:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17407 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17409:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17409 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17409:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17409 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17411:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17411 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17411:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17411 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17415:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17415 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17415:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17415 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetTorsion(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17487:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17487 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17487:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17487 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17489:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17489 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17489:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17489 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17491:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17491 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17491:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17491 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17493:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17493 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17493:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17493 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17495:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17495 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17495:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17495 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17499:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17499 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17499:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17499 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetSpacedFormula__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17567:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17567 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17567:47: note: in expansion of macro ‘XSRETURN’
17567 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetSpacedFormula__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17582:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17582 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17582:47: note: in expansion of macro ‘XSRETURN’
17582 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetSpacedFormula(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17606:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17606 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17606:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17606 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17610:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17610 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17610:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17610 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17616:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17616 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17616:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17616 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17623:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17623 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17623:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17623 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetMolWt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17663:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17663 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17663:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17663 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17667:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17667 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17667:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17667 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetExactMass(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17695:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17695 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17695:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17695 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17699:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17699 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17699:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17699 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetTitle__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17779:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17779 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17779:47: note: in expansion of macro ‘XSRETURN’
17779 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17796:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17796 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17796:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17796 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17798:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17798 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17798:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17798 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17802:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17802 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17802:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17802 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetAromaticPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17913:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17913:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17917:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17917:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetSSSRPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17943:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17943 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17943:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17943 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17947:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17947 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17947:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17947 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetLSSRPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17973:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17973 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17973:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17973 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17977:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17977 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17977:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17977 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetRingAtomsAndBondsPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18004:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18004 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18004:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18004 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18008:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18008 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18008:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18008 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetAtomTypesPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18035:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18035 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18035:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18035 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18039:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18039 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18039:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18039 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetRingTypesPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18066:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18066 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18066:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18066 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18070:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18070 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18070:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18070 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetChainsPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18097:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18097 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18097:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18097 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18101:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18101 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18101:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18101 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetChiralityPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18128:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18128 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18128:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18128 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18132:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18132 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18132:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18132 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetPartialChargesPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18159:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18159 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18159:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18159 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18163:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18163 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18163:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18163 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetHybridizationPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18190:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18190 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18190:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18190 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18194:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18194 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18194:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18194 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetClosureBondsPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18221:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18221 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18221:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18221 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18225:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18225 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18225:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18225 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetHydrogensAdded(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18251:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18251 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18251:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18251 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18255:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18255 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18255:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18255 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetCorrectedForPH(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18281:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18281:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18285:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18285:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetSpinMultiplicityAssigned(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18312:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18312:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18316:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18316:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetIsPatternStructure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18343:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18343 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18343:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18343 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18347:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18347:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetIsReaction(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18373:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18373 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18373:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18373 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18377:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18377 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18377:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18377 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetPeriodicMol(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18403:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18403 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18403:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18403 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18407:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18407 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18407:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18407 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_RenumberAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18487:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18487 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18487:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18487 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18493:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18493 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18493:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18493 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_ToInertialFrame(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18533:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18533 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18533:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18533 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18537:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18537 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18537:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18537 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Translate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18576:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18576 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18576:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18576 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18578:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18578 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18578:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18578 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18582:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18582 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18582:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18582 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18584:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18584 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18584:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18584 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Rotate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18627:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18627:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18633:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18633 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18633:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18633 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18639:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18639 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18639:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18639 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_DeleteHydrogens(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18676:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18676 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18676:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18676 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18680:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18680 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18680:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18680 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18682:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18682 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18682:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18682 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AddHydrogens(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18778:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18778 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18778:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18778 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18782:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18782 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18782:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18782 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18784:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18784 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18784:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18784 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18788:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18788 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18788:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18788 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18794:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18794 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18794:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18794 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18802:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18802 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18802:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18802 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AddNewHydrogens(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18878:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18878 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18878:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18878 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18884:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18884 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18884:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18884 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18892:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18892 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18892:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18892 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_StripSalts(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18925:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18925 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18925:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18925 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18929:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18929 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18929:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18929 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18931:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18931 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18931:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18931 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Separate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18962:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18962 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18962:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18962 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18966:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18966 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18966:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18966 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_CopySubstructure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19121:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19121 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19121:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19121 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19123:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19123 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19123:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19123 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19125:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19125 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19125:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19125 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19129:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19129 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19129:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19129 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19131:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19131 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19131:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19131 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19133:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19133 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19133:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19133 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19135:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19135 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19135:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19135 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19139:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19139 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19139:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19139 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19141:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19141 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19141:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19141 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19143:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19143 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19143:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19143 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19145:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19145 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19145:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19145 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19147:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19147 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19147:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19147 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19151:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19151 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19151:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19151 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19153:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19153 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19153:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19153 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19155:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19155 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19155:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19155 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19157:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19157 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19157:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19157 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19159:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19159 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19159:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19159 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19161:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19161 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19161:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19161 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19165:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19165 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19165:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19165 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19167:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19167 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19167:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19167 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19169:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19169 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19169:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19169 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19171:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19171 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19171:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19171 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19173:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19173 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19173:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19173 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19175:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19175 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19175:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19175 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19177:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19177 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19177:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19177 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_CorrectForPH(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19228:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19228 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19228:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19228 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19232:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19232 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19232:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19232 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AssignSpinMultiplicity(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19261:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19261 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19261:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19261 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19265:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19265 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19265:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19265 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Center(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19297:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19297 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19297:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19297 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19301:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19301 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19301:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19301 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_FindChildren(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19393:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19393 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19393:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19393 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19395:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19395 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19395:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19395 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19402:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19402 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19402:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19402 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19406:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19406:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19408:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19408 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19408:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19408 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Has2D(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19545:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19545 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19545:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19545 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19549:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19549 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19549:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19549 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetEnergy(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19807:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19807 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19807:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19807 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19811:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19811 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19811:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19811 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_ThrowError__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20021:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20021 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20021:47: note: in expansion of macro ‘XSRETURN’
20021 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_ThrowError(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20034:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20034 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20034:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20034 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_NewExtension(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20083:47: note: in expansion of macro ‘XSRETURN’
20083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRing__path_set(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20172:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20172 |     if (arg1) (arg1)->_path = *arg2; ST(argvi) = &PL_sv_undef; XSRETURN(argvi); fail: SWIG_croak_null(); }  }
      |     ^~
In file included from /usr/lib64/perl5/CORE/perl.h:6194:
/usr/lib64/perl5/CORE/embedvar.h:285:49: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  285 | # define PL_stack_base                          (vTHX->Istack_base)
      |                                                 ^
/usr/lib64/perl5/CORE/XSUB.h:117:17: note: in expansion of macro ‘PL_stack_base’
  117 | #define ST(off) PL_stack_base[ax + (off)]
      |                 ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20172:38: note: in expansion of macro ‘ST’
20172 |     if (arg1) (arg1)->_path = *arg2; ST(argvi) = &PL_sv_undef; XSRETURN(argvi); fail: SWIG_croak_null(); }  }
      |                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20249:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20249 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20249:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20249 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20253:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20253 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20253:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20253 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20259:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20259 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20259:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20259 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRing_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20298:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20298 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20298:47: note: in expansion of macro ‘XSRETURN’
20298 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRing_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20315:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20315 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20315:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20315 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20317:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20317 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20317:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20317 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20321:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20321 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20321:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20321 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRing_IsMember(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20367:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20367 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20367:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20367 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20369:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20369 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20369:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20369 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20373:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20373 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20373:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20373 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20375:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20375 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20375:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20375 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_Init__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20619:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20619 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20619:47: note: in expansion of macro ‘XSRETURN’
20619 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_Init__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20633:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20633 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20633:43: note: in expansion of macro ‘XSRETURN’
20633 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_Init(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20637:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20637 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20637:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20637 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20639:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20639 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20639:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20639 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20643:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20643 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20643:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20643 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_Match(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20831:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20831 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20831:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20831 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20833:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20833 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20833:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20833 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20837:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20837 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20837:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20837 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20839:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20839 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20839:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20839 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20845:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20845 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20845:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20845 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20847:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20847 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20847:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20847 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20853:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20853 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20853:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20853 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20855:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20855 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20855:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20855 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_RestrictedMatch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20966:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20966 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20966:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20966 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20968:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20968 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20968:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20968 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20974:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20974 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20974:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20974 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20976:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20976:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20982:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20982 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20982:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20982 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20984:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20984 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20984:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20984 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20992:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20992 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20992:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20992 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20994:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20994 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20994:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20994 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsMatcher_match(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21126:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21126 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21126:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21126 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21128:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21128 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21128:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21128 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21130:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21130 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21130:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21130 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21136:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21136 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21136:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21136 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21138:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21138 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21138:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21138 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21140:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21140 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21140:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21140 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSSMatch_Match(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21200:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21200 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21200:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21200 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21206:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21206 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21206:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21206 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_AliasData_SetAlias__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21245:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21245 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21245:43: note: in expansion of macro ‘XSRETURN’
21245 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_AliasData_SetAlias__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21255:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21255 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21255:47: note: in expansion of macro ‘XSRETURN’
21255 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_AliasData_SetAlias(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21260:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21260 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21260:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21260 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21262:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21262 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21262:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21262 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21266:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21266 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21266:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21266 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_AliasData_GetAlias(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21295:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21295 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21295:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21295 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21299:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21299 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21299:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21299 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBDescriptor__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21378:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21378 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21378:47: note: in expansion of macro ‘XSRETURN’
21378 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBDescriptor__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21388:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21388 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21388:47: note: in expansion of macro ‘XSRETURN’
21388 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBDescriptor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21396:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21396 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21396:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21396 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_FindType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21411:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21411 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21411:47: note: in expansion of macro ‘XSRETURN’
21411 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Predict(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21443:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21443 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21443:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21443 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21445:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21445 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21445:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21445 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21449:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21449 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21449:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21449 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21451:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21451:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21453:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21453 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21453:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21453 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_PredictAndSave(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21488:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21488 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21488:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21488 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21490:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21490 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21490:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21490 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21494:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21494 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21494:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21494 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21496:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21496 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21496:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21496 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21498:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21498 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21498:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21498 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_GetStringValue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21544:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21544 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21544:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21544 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21546:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21546 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21546:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21546 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21548:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21548 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21548:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21548 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21552:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21552 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21552:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21552 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21554:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21554 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21554:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21554 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21556:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21556 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21556:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21556 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21558:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21558 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21558:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21558 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Compare(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21610:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21610 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21610:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21610 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21612:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21612 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21612:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21612 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21614:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21614 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21614:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21614 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21620:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21620:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21622:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21622 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21622:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21622 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21624:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21624 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21624:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21624 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21628:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21628 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21628:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21628 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Display__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21652:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21652 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21652:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21652 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21653:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21653 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21653:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21653 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Display__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21670:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21670 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21670:47: note: in expansion of macro ‘XSRETURN’
21670 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Display(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21675:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21675 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21675:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21675 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21677:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21677 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21677:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21677 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21683:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21683 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21683:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21683 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21685:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21685 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21685:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21685 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Order(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21725:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21725 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21725:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21725 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21733:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21733 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21733:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21733 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21735:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21735 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21735:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21735 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21737:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21737 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21737:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21737 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_AddProperties(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21769:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21769 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21769:43: note: in expansion of macro ‘XSRETURN’
21769 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_DeleteProperties(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21781:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21781 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21781:43: note: in expansion of macro ‘XSRETURN’
21781 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_GetValues(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21794:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21794 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21794:43: note: in expansion of macro ‘XSRETURN’
21794 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_FindType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23072:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23072 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23072:47: note: in expansion of macro ‘XSRETURN’
23072 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_FindForceField__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23097:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23097 |     if (SWIG_IsNewObj(res1)) delete arg1; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23097:43: note: in expansion of macro ‘XSRETURN’
23097 |     if (SWIG_IsNewObj(res1)) delete arg1; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_FindForceField__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23106:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23106 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23106:47: note: in expansion of macro ‘XSRETURN’
23106 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_FindForceField(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23111:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23111 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23111:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23111 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SetParameterFile(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23131:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23131 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23131:43: note: in expansion of macro ‘XSRETURN’
23131 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_Setup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23183:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23183 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23183:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23183 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23185:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23185 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23185:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23185 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23189:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23189 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23189:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23189 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23191:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23191 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23191:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23191 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_GetGrid(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23383:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23383 |     if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23383:47: note: in expansion of macro ‘XSRETURN’
23383 |     if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_GetGradient(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23600:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23600 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23600:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23600 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23602:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23602 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23602:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23602 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23606:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23606 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23606:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23606 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23608:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23608 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23608:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23608 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_Energy(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23645:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23645 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23645:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23645 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23649:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23649 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23649:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23649 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_Bond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23678:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23678 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23678:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23678 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23682:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23682 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23682:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23682 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_Angle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23711:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23711 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23711:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23711 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23715:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23715 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23715:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23715 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_StrBnd(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23744:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23744 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23744:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23744 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23748:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23748 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23748:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23748 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_Torsion(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23777:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23777 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23777:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23777 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23781:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23781 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23781:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23781 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_OOP(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23810:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23810 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23810:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23810 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23814:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23814 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23814 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_VDW(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23843:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23843 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23843:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23843 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23847:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23847 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23847:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23847 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_Electrostatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23876:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23876 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23876:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23876 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23880:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23880 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23880:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23880 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_OBFFLog__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23964:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23964 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23964:47: note: in expansion of macro ‘XSRETURN’
23964 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_OBFFLog(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23969:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23969:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23971:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23971 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23971:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23971 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23975:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23975 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23975:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23975 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SystematicRotorSearch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24023:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24023 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24023:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24023 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24027:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24027 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24027 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24029:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24029 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24029:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24029 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24033:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24033 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24033:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24033 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24035:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24035 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24035:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24035 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SystematicRotorSearchInitialize(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24082:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24082 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24082:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24082 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24086:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24086 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24086:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24086 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24088:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24088 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24088:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24088 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24092:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24092 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24092:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24092 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24094:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24094 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24094:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24094 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SystematicRotorSearchNextConformer(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24125:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24125 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24125:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24125 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24129:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24129 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24129:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24129 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24131:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24131 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24131:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24131 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_RandomRotorSearch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24180:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24180 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24180:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24180 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24182:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24182 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24182:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24182 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24186:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24186 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24186:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24186 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24188:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24188 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24188:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24188 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24190:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24190 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24190:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24190 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24194:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24194 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24194:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24194 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24196:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24196 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24196:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24196 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24198:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24198 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24198:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24198 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_RandomRotorSearchInitialize(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24250:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24250:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24252:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24252:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24256:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24256:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24258:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24258 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24258:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24258 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24260:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24260 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24260:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24260 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24264:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24264 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24264:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24264 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24266:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24266 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24266:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24266 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24268:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24268 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24268:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24268 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_RandomRotorSearchNextConformer(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24299:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24299 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24299:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24299 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24303:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24303 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24303:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24303 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24305:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24305 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24305:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24305 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_WeightedRotorSearch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24344:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24344 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24344:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24344 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24346:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24346 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24346:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24346 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24348:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24348 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24348:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24348 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24352:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24352 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24352:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24352 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24354:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24354 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24354:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24354 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24356:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24356 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24356:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24356 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_LineSearch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24416:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24416 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24416:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24416 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24418:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24418 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24418:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24418 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24420:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24420 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24420:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24420 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24424:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24424 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24424:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24424 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SteepestDescent(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24502:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24502 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24502:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24502 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24508:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24508 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24508:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24508 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24516:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24516 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24516:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24516 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SteepestDescentInitialize(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24575:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24575 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24575:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24575 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24579:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24579 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24579:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24579 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24585:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24585 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24585:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24585 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24593:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24593 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24593:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24593 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_ConjugateGradients(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24657:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24657 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24657:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24657 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24663:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24663 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24663:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24663 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24671:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24671 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24671:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24671 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_ConjugateGradientsInitialize(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24730:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24730 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24730:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24730 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24734:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24734 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24734:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24734 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24740:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24740 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24740:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24740 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24748:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24748 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24748:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24748 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_MolecularDynamicsTakeNSteps(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24836:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24836:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24844:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24844 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24844:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24844 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24854:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24854 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24854:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24854 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_VectorAngleDerivative(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25171:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25171 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25171:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25171 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25173:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25173 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25173:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25173 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25175:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25175 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25175:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25175 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_VectorOOPDerivative(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25258:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25258 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25258:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25258 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25260:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25260 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25260:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25260 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25262:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25262 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25262:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25262 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25264:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25264 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25264:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25264 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_VectorTorsionDerivative(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25351:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25351 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25351:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25351 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25353:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25353 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25353:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25353 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25355:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25355 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25355:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25355 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25357:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25357 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25357:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25357 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBuilder_Build(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25599:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25599 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25599:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25599 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25601:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25601 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25601:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25601 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25605:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25605 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25605:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25605 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25607:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25607 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25607:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25607 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBuilder_GetNewBondVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25689:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25689 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25689:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25689 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25693:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25693 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25693:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25693 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBuilder_Connect(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25781:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25781 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25781:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25781 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25788:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25788 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25788:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25788 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25797:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25797 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25797:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25797 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25806:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25806 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25806:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25806 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBuilder_CorrectStereoAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25874:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25874 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25874:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25874 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25878:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25878 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25878:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25878 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_FindType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25934:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25934 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25934:47: note: in expansion of macro ‘XSRETURN’
25934 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_Do__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25960:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25960 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25960:47: note: in expansion of macro ‘XSRETURN’
25960 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_Do__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25981:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25981 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25981:47: note: in expansion of macro ‘XSRETURN’
25981 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_Do__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25997:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25997 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25997:47: note: in expansion of macro ‘XSRETURN’
25997 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_Do(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26013:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26013 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26013:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26013 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26015:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26015 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26015:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26015 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26019:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26019 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26019:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26019 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26021:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26021 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26021:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26021 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26027:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26027 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26027 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26029:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26029 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26029:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26029 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26037:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26037 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26037:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26037 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26039:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26039 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26039:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26039 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBRotorRule(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26126:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26126 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26126:47: note: in expansion of macro ‘XSRETURN’
26126 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotor_SetDihedralAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26314:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26314 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26314:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26314 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26316:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26316 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26316:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26316 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26320:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26320:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotor_SetRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26409:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26409 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26409:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26409 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26416:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26416 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26416:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26416 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotor_Set(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26504:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26504 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26504:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26504 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26511:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26511 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26511:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26511 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26520:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26520 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26520:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26520 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotor_GetDihedralAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26579:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26579 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26579:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26579 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26583:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26583 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26583:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26583 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotorList_Setup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26834:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26834 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26834:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26834 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26836:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26836:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26840:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26840 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26840:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26840 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26842:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26842 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26842:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26842 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotorList_FindRotors(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26925:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26925 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26925:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26925 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26927:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26927 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26927:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26927 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26931:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26931 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26931:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26931 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26933:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26933 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26933:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26933 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotamerList_Setup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27235:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27235 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27235:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27235 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27237:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27237 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27237:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27237 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27243:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27243:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27245:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27245 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27245:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27245 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27247:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27247 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27247:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27247 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotamerList_AddRotamer(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27318:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27318 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27318:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27318 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27324:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27324 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27324:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27324 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27330:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27330 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27330:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27330 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27332:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27332 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27332:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27332 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27336:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27336 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27336:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27336 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotamerList_SetBaseCoordinateSets(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27471:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27471 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27471:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27471 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27473:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27473 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27473:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27473 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27477:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27477 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27477:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27477 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27481:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27481 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27481:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27481 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolAtomIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27592:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27592 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27592:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27592 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27640:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27640 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27640:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27640 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27644:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27644 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27644:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27644 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27800:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27800 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27800:47: note: in expansion of macro ‘XSRETURN’
27800 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27813:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27813 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27813:43: note: in expansion of macro ‘XSRETURN’
27813 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27817:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27817 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27817:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27817 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27819:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27819 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27819:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27819 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27823:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27823 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27823:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27823 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27879:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27879 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27879:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27879 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27883:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27883:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27885:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27885 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27885:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27885 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27889:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27889 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27889:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27889 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27951:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27951 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27951:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27951 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27955:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27955 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27955:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27955 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27982:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27982 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27982:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27982 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27986:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27986 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27986:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27986 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28226:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28226 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28226:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28226 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28230:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28230 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28230:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28230 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28398:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28398 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28398:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28398 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28400:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28400 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28400:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28400 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28404:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28406:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28406:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28410:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28410 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28410:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28410 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28449:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28449 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28449:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28449 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28451:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28451 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28451:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28451 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28453:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28453 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28453:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28453 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28457:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28457 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28457:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28457 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28591:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28591 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28591:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28591 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28595:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28595 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28595:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28595 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28898:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28898 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28898:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28898 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28902:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28902 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28902:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28902 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28982:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28982 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28982:47: note: in expansion of macro ‘XSRETURN’
28982 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29038:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29038 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29038:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29038 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29042:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29042 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29042:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29042 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29058:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29058 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29058:47: note: in expansion of macro ‘XSRETURN’
29058 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29072:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29072 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29072:43: note: in expansion of macro ‘XSRETURN’
29072 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29083:47: note: in expansion of macro ‘XSRETURN’
29083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29099:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29099 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29099:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29099 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29101:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29101 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29101:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29101 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29105:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29105 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29105:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29105 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29107:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29107 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29107:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29107 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29111:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29111 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29111:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29111 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29165:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29165 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29165:43: note: in expansion of macro ‘XSRETURN’
29165 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29169:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29169 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29169:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29169 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29171:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29171 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29171:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29171 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29175:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29175 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29175:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29175 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29181:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29181 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29181:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29181 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29183:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29183 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29183:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29183 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29187:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29187 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29187:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29187 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29189:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29189 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29189:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29189 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29240:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29240 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29240:43: note: in expansion of macro ‘XSRETURN’
29240 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29252:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29252 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29252:47: note: in expansion of macro ‘XSRETURN’
29252 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29281:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29281:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29285:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29285:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29287:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29287 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29287:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29287 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29291:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29291 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29291:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29291 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29297:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29297 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29297:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29297 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29299:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29299 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29299:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29299 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29303:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29303 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29303:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29303 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolAtomDFSIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29385:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29385 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29385:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29385 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29393:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29393 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29393:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29393 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29442:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29442 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29442:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29442 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29446:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29446 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29446:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29446 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29610:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29610 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29610:47: note: in expansion of macro ‘XSRETURN’
29610 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29623:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29623 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29623:43: note: in expansion of macro ‘XSRETURN’
29623 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29627:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29627:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29629:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29629 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29629:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29629 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29633:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29633 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29633:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29633 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29689:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29689 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29689:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29689 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29693:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29693 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29693:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29693 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29695:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29695 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29695:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29695 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29699:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29699 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29699:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29699 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29761:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29761 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29761:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29761 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29765:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29765 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29765:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29765 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29792:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29792 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29792:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29792 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29796:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29796 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29796:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29796 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30036:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30036 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30036:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30036 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30040:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30040:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30208:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30208 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30208:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30208 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30210:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30210 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30210:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30210 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30214:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30214 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30214:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30214 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30216:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30216 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30216:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30216 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30220:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30220 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30220:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30220 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30260:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30260 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30260:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30260 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30262:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30262 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30262:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30262 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30264:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30264 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30264:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30264 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30268:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30268 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30268:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30268 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30404:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30404 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30404 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30408:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30408 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30408:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30408 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30712:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30712 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30712:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30712 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30716:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30716 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30716:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30716 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30796 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30796:47: note: in expansion of macro ‘XSRETURN’
30796 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30852:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30852 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30852:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30852 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30856:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30856 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30856:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30856 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30872:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30872 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30872:47: note: in expansion of macro ‘XSRETURN’
30872 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30886:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30886 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30886:43: note: in expansion of macro ‘XSRETURN’
30886 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30897:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30897 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30897:47: note: in expansion of macro ‘XSRETURN’
30897 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30913:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30913:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30915:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30915 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30915:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30915 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30919:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30919 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30919:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30919 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30921:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30921 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30921:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30921 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30925:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30925 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30925:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30925 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30979:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30979 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30979:43: note: in expansion of macro ‘XSRETURN’
30979 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30983:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30983 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30983:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30983 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30985:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30985 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30985:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30985 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30989:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30989 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30989:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30989 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30995:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30995 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30995:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30995 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30997:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30997 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30997:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30997 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31001:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31001 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31001:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31001 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31003:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31003 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31003:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31003 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31054:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31054 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31054:43: note: in expansion of macro ‘XSRETURN’
31054 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31066:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31066 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31066:47: note: in expansion of macro ‘XSRETURN’
31066 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31095:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31095 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31095:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31095 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31099:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31099 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31099:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31099 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31101:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31101 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31101:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31101 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31105:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31105 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31105:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31105 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31111:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31111 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31111:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31111 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31113:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31113 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31113:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31113 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31117:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31117 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31117:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31117 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolAtomBFSIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31201:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31201 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31201:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31201 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31209:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31209 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31209:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31209 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31258:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31258 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31258:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31258 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31262:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31262 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31262:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31262 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31427:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31427 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31427:47: note: in expansion of macro ‘XSRETURN’
31427 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31440:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31440 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31440:43: note: in expansion of macro ‘XSRETURN’
31440 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31444:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31444 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31444:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31444 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31446:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31446 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31446:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31446 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31450:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31450 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31450:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31450 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31506:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31506 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31506:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31506 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31510:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31510 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31510:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31510 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31512:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31512 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31512:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31512 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31516:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31516 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31516:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31516 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31578:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31578 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31578:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31578 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31582:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31582 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31582:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31582 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31609:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31609 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31609:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31609 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31613:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31613 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31613:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31613 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31853:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31853 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31853:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31853 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31857:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31857 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31857:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31857 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32025:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32025 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32025:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32025 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32027:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32027 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32027 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32031:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32031 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32031:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32031 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32033:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32033 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32033:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32033 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32037:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32037 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32037:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32037 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32077:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32077 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32077:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32077 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32079:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32079 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32079:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32079 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32081:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32081 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32081:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32081 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32085:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32085 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32085:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32085 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32221:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32221 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32221:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32221 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32225:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32225 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32225:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32225 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32529:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32529 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32529:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32529 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32533:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32533 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32533:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32533 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32613:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32613 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32613:47: note: in expansion of macro ‘XSRETURN’
32613 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32669:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32669 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32669:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32669 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32673:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32673 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32673:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32673 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32689:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32689 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32689:47: note: in expansion of macro ‘XSRETURN’
32689 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32703:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32703 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32703:43: note: in expansion of macro ‘XSRETURN’
32703 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32714:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32714 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32714:47: note: in expansion of macro ‘XSRETURN’
32714 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32730:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32730 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32730:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32730 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32732:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32732 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32732:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32732 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32736:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32736 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32736:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32736 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32738:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32738:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32742:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32742 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32742:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32742 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32796 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32796:43: note: in expansion of macro ‘XSRETURN’
32796 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32800:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32800 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32800:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32800 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32802:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32802 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32802:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32802 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32806:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32806 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32806:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32806 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32812:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32812 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32812:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32812 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32814:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32814 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32814 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32818:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32818 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32818:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32818 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32820:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32820 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32820:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32820 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32871:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32871 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32871:43: note: in expansion of macro ‘XSRETURN’
32871 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32883:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32883 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32883:47: note: in expansion of macro ‘XSRETURN’
32883 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32912:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32912 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32912:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32912 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32916:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32916 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32916:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32916 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32918:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32918 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32918:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32918 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32922:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32922 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32922:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32922 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32928:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32928 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32928:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32928 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32930:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32930 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32930:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32930 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32934:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32934 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32934:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32934 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBMolBondBFSIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33018:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33018 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33018:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33018 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33026:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33026 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33026:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33026 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33075:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33075 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33075:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33075 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33079:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33079 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33079:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33079 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetLength(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33218:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33218 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33218:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33218 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33224:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33224 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33224:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33224 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33226:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33226 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33226:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33226 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33276:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33276 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33276:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33276 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33280:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33280 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33280:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33280 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetWedge(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33307:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33307:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33311:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33311 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33311:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33311 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33338:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33338 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33338:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33338 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33342:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33342 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33342:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33342 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetWedgeOrHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33369:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33369 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33369:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33369 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33373:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33373 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33373:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33373 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33400:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33400 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33400:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33400 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33404:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetClosure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33431:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33431 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33431:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33431 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33435:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33435 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33435:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33435 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetBeginAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33509:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33509 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33509:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33509 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33513:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33513 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33513:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33513 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetEndAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33537:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33537 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33537:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33537 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33541:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33541 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33541:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33541 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_IsRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33640:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33640 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33640:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33640 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33644:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33644 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33644:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33644 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33809:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33809 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33809:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33809 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33813:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33813 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33813:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33813 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33829:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33829 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33829:47: note: in expansion of macro ‘XSRETURN’
33829 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33843:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33843 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33843:43: note: in expansion of macro ‘XSRETURN’
33843 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33854:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33854 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33854:47: note: in expansion of macro ‘XSRETURN’
33854 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33870:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33870 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33870:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33870 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33872:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33872 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33872:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33872 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33876:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33876 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33876:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33876 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33878:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33878 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33878:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33878 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33882:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33882 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33882:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33882 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33936:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33936 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33936:43: note: in expansion of macro ‘XSRETURN’
33936 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33940:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33940 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33940:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33940 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33942:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33942 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33942:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33942 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33946:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33946 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33946:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33946 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33952:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33952 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33952:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33952 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33954:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33954 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33954:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33954 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33958:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33958 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33958:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33958 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33960:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33960 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33960:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33960 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34011:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34011 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34011:43: note: in expansion of macro ‘XSRETURN’
34011 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34023:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34023 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34023:47: note: in expansion of macro ‘XSRETURN’
34023 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34052:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34052:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34056:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34056:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34058:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34058:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34062:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34062 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34062:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34062 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34068:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34068 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34068:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34068 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34070:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34070 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34070:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34070 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34074:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34074 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34074:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34074 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolBondIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34146:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34146 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34146:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34146 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34194:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34194 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34194:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34194 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34198:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34198 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34198:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34198 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetLength(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34328:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34328 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34328:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34328 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34334:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34334 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34334:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34334 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34336:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34336 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34336:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34336 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34386:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34386 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34386:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34386 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34390:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34390 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34390:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34390 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetWedge(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34417:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34417 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34417:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34417 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34421:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34421 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34421:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34421 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34448:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34448 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34448:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34448 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34452:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34452 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34452:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34452 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetWedgeOrHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34479:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34479 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34479:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34479 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34483:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34483 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34483:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34483 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34510:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34510 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34510:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34510 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34514:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34514 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34514:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34514 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetClosure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34541:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34541 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34541:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34541 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34545:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34545 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34545:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34545 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetBeginAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34619:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34619 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34619:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34619 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34623:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34623 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34623:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34623 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetEndAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34647:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34647 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34647:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34647 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34651:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34651 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34651:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34651 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_IsRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34750:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34750 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34750:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34750 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34754:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34754 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34754:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34754 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34919:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34919 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34919:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34919 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34923:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34923 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34923:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34923 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34939:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34939 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34939:47: note: in expansion of macro ‘XSRETURN’
34939 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34953:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34953 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34953:43: note: in expansion of macro ‘XSRETURN’
34953 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34964:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34964 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34964:47: note: in expansion of macro ‘XSRETURN’
34964 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34980:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34980 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34980:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34980 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34982:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34982 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34982:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34982 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34986:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34986 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34986:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34986 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34988:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34988 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34988:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34988 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34992:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34992 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34992:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34992 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35046:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35046 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35046:43: note: in expansion of macro ‘XSRETURN’
35046 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35050:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35050 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35050:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35050 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35052:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35052:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35056:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35056:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35062:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35062 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35062:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35062 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35064:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35064 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35064:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35064 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35068:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35068 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35068:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35068 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35070:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35070 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35070:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35070 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35121:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35121 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35121:43: note: in expansion of macro ‘XSRETURN’
35121 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35133:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35133 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35133:47: note: in expansion of macro ‘XSRETURN’
35133 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35162:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35162 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35162:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35162 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35166:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35166 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35166:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35166 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35168:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35168 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35168:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35168 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35172:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35172 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35172:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35172 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35178:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35178 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35178:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35178 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35180:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35180 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35180:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35180 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35184:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35184 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35184:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35184 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBAtomAtomIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35255:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35255 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35255:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35255 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35305:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35305:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35309:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35309 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35309:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35309 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35465:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35465 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35465:47: note: in expansion of macro ‘XSRETURN’
35465 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35478:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35478 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35478:43: note: in expansion of macro ‘XSRETURN’
35478 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35482:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35482 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35482:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35482 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35484:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35484:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35488:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35488 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35488:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35488 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35544:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35544 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35544:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35544 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35548:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35548 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35548:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35548 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35550:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35550 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35550:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35550 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35554:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35554 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35554:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35554 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35616:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35616 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35616:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35616 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35620:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35620:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35647:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35647 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35647:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35647 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35651:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35651 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35651:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35651 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35891:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35891 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35891:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35891 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35895:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35895 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35895:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35895 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36063:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36063 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36063:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36063 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36065:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36065 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36065:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36065 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36069:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36069 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36069:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36069 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36071:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36071 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36071:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36071 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36075:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36075 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36075:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36075 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36114:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36114 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36114:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36114 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36116:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36116 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36116:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36116 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36118:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36118:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36122:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36122 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36122:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36122 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36256:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36256 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36256:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36256 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36260:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36260 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36260:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36260 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36563:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36563 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36563:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36563 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36567:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36567 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36567:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36567 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36647:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36647 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36647:47: note: in expansion of macro ‘XSRETURN’
36647 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36703:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36703 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36703:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36703 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36707:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36707 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36707:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36707 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36723:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36723 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36723:47: note: in expansion of macro ‘XSRETURN’
36723 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36737:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36737 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36737:43: note: in expansion of macro ‘XSRETURN’
36737 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36748:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36748 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36748:47: note: in expansion of macro ‘XSRETURN’
36748 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36764:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36764 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36764:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36764 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36766:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36766 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36766:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36766 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36770:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36770 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36770:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36770 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36772:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36772 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36772:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36772 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36776:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36776 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36776:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36776 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36830:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36830 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36830:43: note: in expansion of macro ‘XSRETURN’
36830 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36834:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36834 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36834:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36834 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36836:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36836:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36840:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36840 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36840:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36840 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36846:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36846 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36846:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36846 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36848:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36848 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36848:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36848 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36852:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36852 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36852:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36852 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36854:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36854 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36854:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36854 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36905:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36905 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36905:43: note: in expansion of macro ‘XSRETURN’
36905 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36917 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36917:47: note: in expansion of macro ‘XSRETURN’
36917 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36946:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36946 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36946:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36946 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36950:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36950 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36950:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36950 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36952:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36952 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36952:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36952 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36956:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36956 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36956:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36956 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36962:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36962 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36962:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36962 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36964:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36964 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36964:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36964 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36968:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36968 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36968:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36968 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBAtomBondIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37039:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37039 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37039:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37039 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37089:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37089 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37089:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37089 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37093:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37093 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37093:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37093 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetLength(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37223:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37223 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37223:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37223 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37229:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37229 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37229:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37229 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37231:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37231 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37231:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37231 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37281:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37281:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37285:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37285:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetWedge(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37312:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37312:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37316:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37316:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37343:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37343 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37343:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37343 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37347:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37347:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetWedgeOrHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37374:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37374 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37374:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37374 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37378:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37378 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37378:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37378 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37405:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37405 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37405:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37405 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37409:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37409 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37409:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37409 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetClosure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37436:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37436 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37436:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37436 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37440:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37440 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37440:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37440 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetBeginAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37514:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37514 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37514:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37514 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37518:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37518 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37518:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37518 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetEndAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37542:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37542 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37542:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37542 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37546:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37546 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37546:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37546 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_IsRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37645:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37645 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37645:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37645 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37649:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37649 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37649:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37649 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37814:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37814 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37814 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37818:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37818 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37818:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37818 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37834:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37834 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37834:47: note: in expansion of macro ‘XSRETURN’
37834 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37848:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37848 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37848:43: note: in expansion of macro ‘XSRETURN’
37848 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37859:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37859 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37859:47: note: in expansion of macro ‘XSRETURN’
37859 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37875:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37875 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37875:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37875 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37877:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37877 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37877:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37877 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37881:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37881 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37881:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37881 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37883:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37883:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37887:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37887 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37887:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37887 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37941:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37941 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37941:43: note: in expansion of macro ‘XSRETURN’
37941 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37945:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37945 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37945:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37945 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37947:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37947 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37947:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37947 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37951:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37951 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37951:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37951 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37957:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37957 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37957:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37957 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37959:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37959 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37959:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37959 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37963:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37963 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37963:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37963 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37965:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37965 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37965:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37965 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38016:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38016 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38016:43: note: in expansion of macro ‘XSRETURN’
38016 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38028:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38028 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38028:47: note: in expansion of macro ‘XSRETURN’
38028 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38057:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38057 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38057:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38057 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38061:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38061 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38061:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38061 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38063:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38063 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38063:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38063 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38067:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38067 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38067:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38067 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38073:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38073 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38073:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38073 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38075:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38075 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38075:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38075 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38079:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38079 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38079:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38079 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBResidueIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38150:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38150 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38150:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38150 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38198:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38198 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38198:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38198 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38202:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38202 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38202:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38202 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_SetName(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38268:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38268 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38268:43: note: in expansion of macro ‘XSRETURN’
38268 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_SetNum(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38292:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38292 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38292:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38292 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38294:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38294 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38294:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38294 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38298:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38298 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38298:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38298 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38300:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38300 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38300:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38300 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_SetAtomID(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38360:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38360 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38360:43: note: in expansion of macro ‘XSRETURN’
38360 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetBonds(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38484:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38484:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38488:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38488 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38488:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38488 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38687:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38687 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38687:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38687 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38691:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38691 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38691:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38691 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38707:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38707 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38707:47: note: in expansion of macro ‘XSRETURN’
38707 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38721:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38721 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38721:43: note: in expansion of macro ‘XSRETURN’
38721 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38732:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38732 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38732:47: note: in expansion of macro ‘XSRETURN’
38732 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38748:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38748 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38748:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38748 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38750:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38750 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38750:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38750 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38754:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38754 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38754:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38754 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38756:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38756 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38756:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38756 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38760:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38760 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38760:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38760 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38814:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38814 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38814:43: note: in expansion of macro ‘XSRETURN’
38814 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38818:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38818 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38818:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38818 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38820:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38820 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38820:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38820 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38824:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38824 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38824:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38824 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38830:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38830 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38830:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38830 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38832:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38832 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38832:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38832 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38836:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38836 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38836:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38836 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38838:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38838 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38838:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38838 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38889:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38889 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38889:43: note: in expansion of macro ‘XSRETURN’
38889 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38901:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38901 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38901:47: note: in expansion of macro ‘XSRETURN’
38901 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38930:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38930 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38930:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38930 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38934:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38934 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38934:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38934 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38936:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38936 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38936:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38936 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38940:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38940 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38940:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38940 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38946:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38946 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38946:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38946 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38948:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38948 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38948:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38948 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38952:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38952 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38952:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38952 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBResidueAtomIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39023:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39023 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39023:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39023 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39073:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39073 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39073:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39073 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39077:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39077 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39077:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39077 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39233:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39233 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39233:47: note: in expansion of macro ‘XSRETURN’
39233 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39246:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39246 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39246:43: note: in expansion of macro ‘XSRETURN’
39246 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39250:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39250:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39252:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39252:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39256:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39256:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39312:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39312:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39316:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39316:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39318:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39318 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39318:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39318 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39322:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39322 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39322:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39322 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39384:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39384 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39384:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39384 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39388:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39388 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39388:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39388 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39415:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39415 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39415:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39415 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39419:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39419 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39419:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39419 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39659:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39659 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39659:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39659 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39663:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39663 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39663:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39663 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39831:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39831 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39831:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39831 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39833:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39833 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39833:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39833 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39837:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39837 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39837:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39837 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39839:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39839 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39839:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39839 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39843:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39843 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39843:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39843 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39883:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39883 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39883:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39883 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39885:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39885 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39885:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39885 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39887:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39887 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39887:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39887 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39891:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39891 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39891:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39891 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40027:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40027 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40027 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40031:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40031 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40031:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40031 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40335:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40335 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40335:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40335 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40339:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40339 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40339:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40339 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40419:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40419 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40419:47: note: in expansion of macro ‘XSRETURN’
40419 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40475:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40475 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40475:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40475 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40479:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40479 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40479:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40479 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40495:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40495 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40495:47: note: in expansion of macro ‘XSRETURN’
40495 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40509:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40509 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40509:43: note: in expansion of macro ‘XSRETURN’
40509 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40521:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40521 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40521:47: note: in expansion of macro ‘XSRETURN’
40521 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40537:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40537 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40537:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40537 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40539:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40539 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40539:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40539 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40543:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40543 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40543:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40543 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40545:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40545 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40545:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40545 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40549:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40549 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40549:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40549 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40603:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40603 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40603:43: note: in expansion of macro ‘XSRETURN’
40603 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40607:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40607 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40607:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40607 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40609:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40609 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40609:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40609 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40613:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40613 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40613:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40613 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40619:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40619 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40619:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40619 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40621:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40621 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40621:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40621 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40625:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40625 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40625:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40625 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40627:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40627 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40627:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40627 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40678:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40678 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40678:43: note: in expansion of macro ‘XSRETURN’
40678 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40690:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40690 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40690:47: note: in expansion of macro ‘XSRETURN’
40690 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40719:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40719 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40719:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40719 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40723:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40723 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40723:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40723 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40725:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40725 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40725:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40725 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40729:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40729 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40729:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40729 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40735:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40735 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40735:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40735 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40737:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40737 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40737:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40737 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40741:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40741 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40741:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40741 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolAngleIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40814:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40814 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40814 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolTorsionIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40890:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40890 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40890:30: note: ...this statement, but the latter is misleadingly indented make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
as if it were guarded by the ‘if’
40890 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolPairIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40966:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40966 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40966:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40966 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolRingIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41040:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41040:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolRingIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41088:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41088 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41088:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41088 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41092:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41092 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41092:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41092 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolRingIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41210:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41210 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41210:47: note: in expansion of macro ‘XSRETURN’
41210 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolRingIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41227:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41227 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41227:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41227 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41229:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41229 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41229:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41229 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41233:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41233 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41233:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41233 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolRingIter_IsMember(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41282:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41282 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41282:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41282 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41284:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41284 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41284:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41284 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41288:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41288:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41290:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41290 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41290:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41290 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void* _p_OpenBabel__CharPtrLessTo_p_std__binary_functionT_char_const_p_char_const_p_bool_t(void*, int*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41476:27: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
41476 |     return (void *)((std::binary_function< char const *,char const *,bool > *)  ((OpenBabel::CharPtrLess *) x));
      |                           ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[100%] Linking CXX shared module ../lib64/openbabel.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts && /usr/bin/cmake -E cmake_link_script CMakeFiles/bindings_ruby.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/bindings_ruby.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/openbabel.so "CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o"  -lruby ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[100%] Built target bindings_ruby
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[100%] Linking CXX shared module ../lib64/OpenBabel.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts && /usr/bin/cmake -E cmake_link_script CMakeFiles/bindings_perl.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/bindings_perl.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/OpenBabel.so "CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o"  -lperl ../lib64/libopenbabel.so.7.0.0 -lpthread -lresolv -ldl -lm -lcrypt -lutil -lc -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[100%] Built target bindings_perl
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/CMakeFiles 0
make: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.qBsd5l
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ '[' /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT '!=' / ']'
+ rm -rf /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
++ dirname /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
+ mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build
+ mkdir /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd openbabel-openbabel-3-1-1
+ /usr/bin/make install DESTDIR=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT 'INSTALL=/usr/bin/install -p' -C aarch64-redhat-linux-gnu
make: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/cmake -S/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 -B/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0
/usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/CMakeFiles /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu//CMakeFiles/progress.marks
/usr/bin/make  -f CMakeFiles/Makefile2 all
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/CMakeFiles/openbabel.dir/DependInfo.cmake "--color="
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[ 14%] Built target openbabel
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_descriptors.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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[ 15%] Built target plugin_descriptors
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_fingerprints.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_forcefields.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_ops.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/CMakeFiles/plugin_charges.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/smilesformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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[ 25%] Built target smilesformat
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mdlformat.dir/DependInfo.cmake "--color="
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[ 25%] Built target mdlformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mol2format.dir/DependInfo.cmake "--color="
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[ 25%] Built target mol2format
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pdbformat.dir/DependInfo.cmake "--color="
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[ 26%] Built target pdbformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/inchiformat.dir/DependInfo.cmake "--color="
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/usr/bin/make  -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/asciiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/asciiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 28%] Built target asciiformat
/usr/bin/make  -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/copyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/copyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 29%] Built target copyformat
/usr/bin/make  -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/MNAformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/MNAformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 29%] Built target MNAformat
/usr/bin/make  -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/molreport.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/molreport.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 29%] Built target molreport
/usr/bin/make  -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/nulformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/nulformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 30%] Built target nulformat
/usr/bin/make  -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/painterformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/painterformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 31%] Built target painterformat
/usr/bin/make  -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/povrayformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/povrayformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 32%] Built target povrayformat
/usr/bin/make  -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/reportformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/reportformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 32%] Built target reportformat
/usr/bin/make  -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/svgformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/svgformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 32%] Built target svgformat
/usr/bin/make  -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/textformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/textformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 33%] Built target textformat
/usr/bin/make  -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/titleformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/titleformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 34%] Built target titleformat
/usr/bin/make  -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/confabreport.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/confabreport.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 34%] Built target confabreport
/usr/bin/make  -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pngformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pngformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 35%] Built target pngformat
/usr/bin/make  -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/acesformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/acesformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 35%] Built target acesformat
/usr/bin/make  -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/abinitformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/abinitformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 35%] Built target abinitformat
/usr/bin/make  -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/adfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/adfformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 35%] Built target adfformat
/usr/bin/make  -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/aoforceformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/aoforceformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 35%] Built target aoforceformat
/usr/bin/make  -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/castepformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/castepformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 36%] Built target castepformat
/usr/bin/make  -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/crystal09format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/crystal09format.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 37%] Built target crystal09format
/usr/bin/make  -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/daltonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/daltonformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 37%] Built target daltonformat
/usr/bin/make  -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/dmolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/dmolformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 37%] Built target dmolformat
/usr/bin/make  -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fchkformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fchkformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 38%] Built target fchkformat
/usr/bin/make  -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fhiaimsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fhiaimsformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 38%] Built target fhiaimsformat
/usr/bin/make  -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gamessformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gamessformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 39%] Built target gamessformat
/usr/bin/make  -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gaussformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gaussformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 40%] Built target gaussformat
/usr/bin/make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gausscubeformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gausscubeformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 40%] Built target gausscubeformat
/usr/bin/make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gausszmatformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gausszmatformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 40%] Built target gausszmatformat
/usr/bin/make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gulpformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gulpformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 41%] Built target gulpformat
/usr/bin/make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/hinformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/hinformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 41%] Built target hinformat
/usr/bin/make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/jaguarformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/jaguarformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 41%] Built target jaguarformat
/usr/bin/make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/molproformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/molproformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 41%] Built target molproformat
/usr/bin/make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mopacformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mopacformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 42%] Built target mopacformat
/usr/bin/make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/nwchemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/nwchemformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 42%] Built target nwchemformat
/usr/bin/make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pwscfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pwscfformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 43%] Built target pwscfformat
/usr/bin/make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/qchemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/qchemformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 43%] Built target qchemformat
/usr/bin/make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/siestaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/siestaformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 44%] Built target siestaformat
/usr/bin/make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/turbomoleformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/turbomoleformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 44%] Built target turbomoleformat
/usr/bin/make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/vaspformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/vaspformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 44%] Built target vaspformat
/usr/bin/make  -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xsfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xsfformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 44%] Built target xsfformat
/usr/bin/make  -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/zindoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/zindoformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 45%] Built target zindoformat
/usr/bin/make  -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gamessukformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gamessukformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 45%] Built target gamessukformat
/usr/bin/make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/orcaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/orcaformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 45%] Built target orcaformat
/usr/bin/make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/APIInterface.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/APIInterface.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 45%] Built target APIInterface
/usr/bin/make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/CSRformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/CSRformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 45%] Built target CSRformat
/usr/bin/make  -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/PQSformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/PQSformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 46%] Built target PQSformat
/usr/bin/make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/MCDLformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 47%] Built target MCDLformat
/usr/bin/make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/alchemyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/alchemyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 48%] Built target alchemyformat
/usr/bin/make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/acrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/acrformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 49%] Built target acrformat
/usr/bin/make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/amberformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/amberformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 49%] Built target amberformat
/usr/bin/make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/balstformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 49%] Built target balstformat
/usr/bin/make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/bgfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/bgfformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 50%] Built target bgfformat
/usr/bin/make  -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/boxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/boxformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 50%] Built target boxformat
/usr/bin/make  -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cacaoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cacaoformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 50%] Built target cacaoformat
/usr/bin/make  -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cacheformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cacheformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 51%] Built target cacheformat
/usr/bin/make  -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/carformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/carformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 51%] Built target carformat
/usr/bin/make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cccformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cccformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 51%] Built target cccformat
/usr/bin/make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chem3dformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chem3dformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 51%] Built target chem3dformat
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawct.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemdrawct.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 51%] Built target chemdrawct
/usr/bin/make  -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemtoolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemtoolformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 51%] Built target chemtoolformat
/usr/bin/make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cifformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cifformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 51%] Built target cifformat
/usr/bin/make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cofformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cofformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 51%] Built target cofformat
/usr/bin/make  -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/crkformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/crkformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 51%] Built target crkformat
/usr/bin/make  -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cssrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cssrformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 51%] Built target cssrformat
/usr/bin/make  -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/dlpolyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/dlpolyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 52%] Built target dlpolyformat
/usr/bin/make  -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/exyzformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/exyzformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 53%] Built target exyzformat
/usr/bin/make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fastsearchformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fastsearchformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 53%] Built target fastsearchformat
/usr/bin/make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fastaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fastaformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 53%] Built target fastaformat
/usr/bin/make  -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/featformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/featformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 53%] Built target featformat
/usr/bin/make  -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fhformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fhformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 54%] Built target fhformat
/usr/bin/make  -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fingerprintformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fingerprintformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 54%] Built target fingerprintformat
/usr/bin/make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/fpsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fpsformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 55%] Built target fpsformat
/usr/bin/make  -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/freefracformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/freefracformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 55%] Built target freefracformat
/usr/bin/make  -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/ghemicalformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/ghemicalformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 56%] Built target ghemicalformat
/usr/bin/make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/gromos96format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gromos96format.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 56%] Built target gromos96format
/usr/bin/make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/groformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/groformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 56%] Built target groformat
/usr/bin/make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/lmpdatformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/lmpdatformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 57%] Built target lmpdatformat
/usr/bin/make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/lpmdformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/lpmdformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 57%] Built target lpmdformat
/usr/bin/make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mdffformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mdffformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 58%] Built target mdffformat
/usr/bin/make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mmcifformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mmcifformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 58%] Built target mmcifformat
/usr/bin/make  -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mmodformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mmodformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 59%] Built target mmodformat
/usr/bin/make  -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/moldenformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/moldenformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 60%] Built target moldenformat
/usr/bin/make  -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mpdformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mpdformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 60%] Built target mpdformat
/usr/bin/make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/mpqcformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mpqcformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 61%] Built target mpqcformat
/usr/bin/make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/msiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/msiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 61%] Built target msiformat
/usr/bin/make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/msmsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/msmsformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 61%] Built target msmsformat
/usr/bin/make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/opendxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/opendxformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 62%] Built target opendxformat
/usr/bin/make  -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/outformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/outformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 62%] Built target outformat
/usr/bin/make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pcmodelformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pcmodelformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 62%] Built target pcmodelformat
/usr/bin/make  -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pdbqtformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pdbqtformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 62%] Built target pdbqtformat
/usr/bin/make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pointcloudformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pointcloudformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 62%] Built target pointcloudformat
/usr/bin/make  -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/posformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/posformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 62%] Built target posformat
/usr/bin/make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pqrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pqrformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 62%] Built target pqrformat
/usr/bin/make  -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/shelxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/shelxformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 62%] Built target shelxformat
/usr/bin/make  -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/smileyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/smileyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 63%] Built target smileyformat
/usr/bin/make  -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/stlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/stlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 63%] Built target stlformat
/usr/bin/make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/thermoformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 63%] Built target thermoformat
/usr/bin/make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/tinkerformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/tinkerformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 63%] Built target tinkerformat
/usr/bin/make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/unichemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/unichemformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 64%] Built target unichemformat
/usr/bin/make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/viewmolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/viewmolformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 64%] Built target viewmolformat
/usr/bin/make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/wlnformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/wlnformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 65%] Built target wlnformat
/usr/bin/make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xedformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xedformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 65%] Built target xedformat
/usr/bin/make  -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xyzformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xyzformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 66%] Built target xyzformat
/usr/bin/make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/yasaraformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/yasaraformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 66%] Built target yasaraformat
/usr/bin/make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/rxnformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/rxnformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 66%] Built target rxnformat
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawcdx.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemdrawcdx.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 67%] Built target chemdrawcdx
/usr/bin/make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemkinformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemkinformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 68%] Built target chemkinformat
/usr/bin/make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/rinchiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/rinchiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 69%] Built target rinchiformat
/usr/bin/make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/rsmiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/rsmiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 70%] Built target rsmiformat
/usr/bin/make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/png2format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/png2format.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 70%] Built target png2format
/usr/bin/make  -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cdxmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cdxmlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 71%] Built target cdxmlformat
/usr/bin/make  -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cmlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 72%] Built target cmlformat
/usr/bin/make  -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pubchem.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pubchem.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 73%] Built target pubchem
/usr/bin/make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/xmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xmlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 74%] Built target xmlformat
/usr/bin/make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/cmlreactformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cmlreactformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 75%] Built target cmlreactformat
/usr/bin/make  -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/chemdoodlejsonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemdoodlejsonformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 75%] Built target chemdoodlejsonformat
/usr/bin/make  -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/formats/CMakeFiles/pubchemjsonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pubchemjsonformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 75%] Built target pubchemjsonformat
/usr/bin/make  -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools/CMakeFiles/obabel.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'tools/CMakeFiles/obabel.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 76%] Built target obabel
/usr/bin/make  -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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[ 83%] Built target obthermo
/usr/bin/make  -f tools/CMakeFiles/obdistgen.dir/build.make tools/CMakeFiles/obdistgen.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools/CMakeFiles/obdistgen.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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[ 83%] Built target obdistgen
/usr/bin/make  -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools/CMakeFiles/obgrep.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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[ 83%] Built target obgrep
/usr/bin/make  -f tools/CMakeFiles/obspectrophore.dir/build.make tools/CMakeFiles/obspectrophore.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools/CMakeFiles/obspectrophore.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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[ 83%] Built target obspectrophore
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/tools/CMakeFiles/obrms.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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[ 83%] Built target obrms
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/GUI /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/src/GUI/CMakeFiles/obgui.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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[ 84%] Built target obgui
/usr/bin/make  -f test/CMakeFiles/test_runner.dir/build.make test/CMakeFiles/test_runner.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test/CMakeFiles/test_runner.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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[ 97%] Built target test_runner
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test/CMakeFiles/test_inchiwrite.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 98%] Built target test_inchiwrite
/usr/bin/make  -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test/CMakeFiles/roundtrip.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 98%] Built target roundtrip
/usr/bin/make  -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts/CMakeFiles/bindings_python.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 99%] Built target bindings_python
/usr/bin/make  -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts/CMakeFiles/bindings_perl.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'scripts/CMakeFiles/bindings_perl.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[ 99%] Built target bindings_perl
/usr/bin/make  -f scripts/CMakeFiles/bindings_ruby.dir/build.make scripts/CMakeFiles/bindings_ruby.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/scripts/CMakeFiles/bindings_ruby.dir/DependInfo.cmake "--color="
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/usr/bin/make  -f scripts/CMakeFiles/bindings_ruby.dir/build.make scripts/CMakeFiles/bindings_ruby.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
make[2]: Nothing to be done for 'scripts/CMakeFiles/bindings_ruby.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
[100%] Built target bindings_ruby
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
/usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/CMakeFiles 0
/usr/bin/make  -f CMakeFiles/Makefile2 preinstall
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
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Install the project...
/usr/bin/cmake -P cmake_install.cmake
-- Install configuration: "Release"
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/babelconfig.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/pkgconfig/openbabel-3.pc
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/cmake/openbabel3/OpenBabel3_EXPORTS.cmake
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/cmake/openbabel3/OpenBabel3_EXPORTS-release.cmake
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/cmake/openbabel3/OpenBabel3Config.cmake
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/cmake/openbabel3/OpenBabel3ConfigVersion.cmake
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/chemdrawcdx.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/alias.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/atom.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/base.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/bitvec.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/bond.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/bondtyper.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/builder.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/canon.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/chains.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/chargemodel.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/conformersearch.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/data.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/data_utilities.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/descriptor.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/distgeom.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/dlhandler.h
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-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/acesformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/abinitformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/adfformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/aoforceformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/castepformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/crystal09format.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/daltonformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/dmolformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fchkformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fhiaimsformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gamessformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gaussformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gausscubeformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gausszmatformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gulpformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/hinformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/jaguarformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/molproformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mopacformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/nwchemformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pwscfformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/qchemformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/siestaformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/turbomoleformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/vaspformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/xsfformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/zindoformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gamessukformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/orcaformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/APIInterface.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/CSRformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/PQSformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/MCDLformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/alchemyformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/acrformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/amberformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/balstformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/bgfformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/boxformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cacaoformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cacheformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/carformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cccformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chem3dformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chemdrawct.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chemtoolformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cifformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cofformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/crkformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cssrformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/dlpolyformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/exyzformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fastsearchformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fastaformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/featformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fhformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fingerprintformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fpsformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/freefracformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/ghemicalformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gromos96format.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/groformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/lmpdatformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/lpmdformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mdffformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mmcifformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mmodformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/moldenformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mpdformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mpqcformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/msiformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/msmsformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/opendxformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/outformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pcmodelformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pdbqtformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pointcloudformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/posformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pqrformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/shelxformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/smileyformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/stlformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/thermoformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/tinkerformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/unichemformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/viewmolformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/wlnformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/xedformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/xyzformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/yasaraformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/rxnformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chemdrawcdx.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chemkinformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/rinchiformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/rsmiformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/png2format.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cdxmlformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cmlformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pubchem.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/xmlformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cmlreactformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chemdoodlejsonformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pubchemjsonformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obabel
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obconformer
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obenergy
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obfit
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obfitall
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obgen
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obminimize
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obmm
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obprobe
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obprop
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obrotamer
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obrotate
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obsym
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obtautomer
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obthermo
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obdistgen
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obgrep
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obspectrophore
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obrms
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obgui
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/roundtrip
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/_openbabel.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/__init__.py
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/openbabel.py
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/pybel.py
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/perl5/vendor_perl/auto/Chemistry/OpenBabel/OpenBabel.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/perl5/vendor_perl/Chemistry/OpenBabel.pm
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/ruby/vendor_ruby/openbabel.so
make: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu'
+ rm -f '/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/cmake/openbabel2/*.cmake'
+ desktop-file-install --dir=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/applications /builddir/build/SOURCES/obgui.desktop
+ install -Dpm644 babel.png /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/pixmaps/babel.png
+ mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/etc/profile.d
+ cat
+ cat
+ /usr/bin/find-debuginfo -j80 --strict-build-id -m -i --build-id-seed 3.1.1-32.fc42 --unique-debug-suffix -3.1.1-32.fc42.aarch64 --unique-debug-src-base openbabel-3.1.1-32.fc42.aarch64 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 50000000 -S debugsourcefiles.list /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1
find-debuginfo: starting
Extracting debug info from 151 files
DWARF-compressing 151 files
sepdebugcrcfix: Updated 151 CRC32s, 0 CRC32s did match.
Creating .debug symlinks for symlinks to ELF files
Copying sources found by 'debugedit -l' to /usr/src/debug/openbabel-3.1.1-32.fc42.aarch64
find-debuginfo: done
+ /usr/lib/rpm/check-buildroot
+ /usr/lib/rpm/redhat/brp-ldconfig
+ /usr/lib/rpm/brp-compress
+ /usr/lib/rpm/redhat/brp-strip-lto /usr/bin/strip
+ /usr/lib/rpm/brp-strip-static-archive /usr/bin/strip
+ /usr/lib/rpm/check-rpaths
+ /usr/lib/rpm/redhat/brp-mangle-shebangs
+ /usr/lib/rpm/brp-remove-la-files
+ env /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0 -j80
Bytecompiling .py files below /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13 using python3.13
Bytecompiling .py files below /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib/debug/usr/lib64/python3.13 using python3.13
+ /usr/lib/rpm/redhat/brp-python-hardlink
+ /usr/bin/add-determinism --brp -j80 /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/__pycache__/__init__.cpython-313.pyc: rewriting with normalized contents
/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/__pycache__/pybel.cpython-313.pyc: rewriting with normalized contents
/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/__pycache__/openbabel.cpython-313.pyc: rewriting with normalized contents
Scanned 92 directories and 890 files,
               processed 23 inodes,
               3 modified (0 replaced + 3 rewritten),
               0 unsupported format, 0 errors
Reading /builddir/build/BUILD/openbabel-3.1.1-build/SPECPARTS/rpm-debuginfo.specpart
Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.6OcSlT
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd openbabel-openbabel-3-1-1
+ rm -f aarch64-redhat-linux-gnu/lib64/openbabel.so
+ export CTEST_OUTPUT_ON_FAILURE=1
+ CTEST_OUTPUT_ON_FAILURE=1
+ export PYTHONPATH=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages
+ PYTHONPATH=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages
+ /usr/bin/ctest --test-dir aarch64-redhat-linux-gnu --output-on-failure --force-new-ctest-process -j80 --test-dir aarch64-redhat-linux-gnu -VV -E 'pybindtest_bindings|pybindtest_obconv_writers|test_align_4|test_align_5'
Internal ctest changing into directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu
UpdateCTestConfiguration  from :/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/DartConfiguration.tcl
Parse Config file:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/DartConfiguration.tcl
UpdateCTestConfiguration  from :/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/DartConfiguration.tcl
Parse Config file:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/DartConfiguration.tcl
Test project /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu
Constructing a list of tests
Done constructing a list of tests
Updating test list for fixtures
Added 0 tests to meet fixture requirements
Checking test dependency graph...
Checking test dependency graph end
test 1
        Start   1: test_align_1
1: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "aligntest" "1"
1: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
1: Environment variables: 
1:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
1:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
1: Test timeout computed to be: 1500
test 2
        Start   2: test_align_2
2: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "aligntest" "2"
2: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
2: Environment variables: 
2:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
2:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
2: Test timeout computed to be: 1500
test 3
        Start   3: test_align_3
3: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "aligntest" "3"
3: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
3: Environment variables: 
3:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
3:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
3: Test timeout computed to be: 1500
test 4
        Start   4: test_alias_1
4: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "aliastest" "1"
4: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
4: Environment variables: 
4:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
4:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
4: Test timeout computed to be: 1500
test 5
        Start   5: test_automorphism_1
5: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "automorphismtest" "1"
5: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
5: Environment variables: 
5:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
5:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
5: Test timeout computed to be: 1500
test 6
        Start   6: test_automorphism_2
6: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "automorphismtest" "2"
6: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
6: Environment variables: 
6:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
6:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
6: Test timeout computed to be: 1500
test 7
        Start   7: test_automorphism_3
7: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "automorphismtest" "3"
7: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
7: Environment variables: 
7:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
7:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
7: Test timeout computed to be: 1500
test 8
        Start   8: test_automorphism_4
8: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "automorphismtest" "4"
8: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
8: Environment variables: 
8:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
8:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
8: Test timeout computed to be: 1500
test 9
        Start   9: test_automorphism_5
9: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "automorphismtest" "5"
9: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
9: Environment variables: 
9:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
9:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
9: Test timeout computed to be: 1500
test 10
        Start  10: test_automorphism_6
10: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "automorphismtest" "6"
10: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
10: Environment variables: 
10:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
10:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
10: Test timeout computed to be: 1500
test 11
        Start  11: test_automorphism_7
11: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "automorphismtest" "7"
11: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
11: Environment variables: 
11:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
11:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
11: Test timeout computed to be: 1500
test 12
        Start  12: test_automorphism_8
12: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "automorphismtest" "8"
12: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
12: Environment variables: 
12:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
12:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
12: Test timeout computed to be: 1500
test 13
        Start  13: test_automorphism_9
13: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "automorphismtest" "9"
13: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
13: Environment variables: 
13:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
13:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
13: Test timeout computed to be: 1500
test 14
        Start  14: test_automorphism_10
14: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "automorphismtest" "10"
14: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
14: Environment variables: 
14:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
14:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
14: Test timeout computed to be: 1500
test 15
        Start  15: test_builder_1
15: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "buildertest" "1"
15: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
15: Environment variables: 
15:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
15:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
15: Test timeout computed to be: 1500
test 16
        Start  16: test_builder_2
16: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "buildertest" "2"
16: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
16: Environment variables: 
16:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
16:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
16: Test timeout computed to be: 1500
test 17
        Start  17: test_builder_3
17: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "buildertest" "3"
17: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
17: Environment variables: 
17:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
17:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
17: Test timeout computed to be: 1500
test 18
        Start  18: test_builder_4
18: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "buildertest" "4"
18: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
18: Environment variables: 
18:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
18:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
18: Test timeout computed to be: 1500
test 19
        Start  19: test_builder_5
19: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "buildertest" "5"
19: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
19: Environment variables: 
19:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
19:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
19: Test timeout computed to be: 1500
test 20
        Start  20: test_builder_6
20: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "buildertest" "6"
20: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
20: Environment variables: 
20:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
20:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
20: Test timeout computed to be: 1500
test 21
        Start  21: test_canonconsistent_1
21: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "canonconsistenttest" "1"
21: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
21: Environment variables: 
21:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
21:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
21: Test timeout computed to be: 1500
test 22
        Start  22: test_canonconsistent_2
22: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "canonconsistenttest" "2"
22: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
22: Environment variables: 
22:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
22:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
22: Test timeout computed to be: 1500
test 23
        Start  23: test_canonconsistent_3
23: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "canonconsistenttest" "3"
23: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
23: Environment variables: 
23:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
23:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
23: Test timeout computed to be: 1500
test 24
        Start  24: test_canonfragment_1
24: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "canonfragmenttest" "1"
24: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
24: Environment variables: 
24:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
24:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
24: Test timeout computed to be: 1500
test 25
        Start  25: test_canonstable_1
25: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "canonstabletest" "1"
25: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
25: Environment variables: 
25:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
25:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
25: Test timeout computed to be: 1500
test 26
        Start  26: test_carspacegroup_1
26: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "carspacegrouptest" "1"
26: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
26: Environment variables: 
26:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
26:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
26: Test timeout computed to be: 1500
test 27
        Start  27: test_carspacegroup_2
27: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "carspacegrouptest" "2"
27: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
27: Environment variables: 
27:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
27:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
27: Test timeout computed to be: 1500
test 28
        Start  28: test_carspacegroup_3
28: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "carspacegrouptest" "3"
28: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
28: Environment variables: 
28:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
28:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
28: Test timeout computed to be: 1500
test 29
        Start  29: test_carspacegroup_4
29: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "carspacegrouptest" "4"
29: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
29: Environment variables: 
29:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
29:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
29: Test timeout computed to be: 1500
test 30
        Start  30: test_cifspacegroup_1
30: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "1"
30: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
30: Environment variables: 
30:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
30:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
30: Test timeout computed to be: 1500
test 31
        Start  31: test_cifspacegroup_2
31: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "2"
31: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
31: Environment variables: 
31:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
31:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
31: Test timeout computed to be: 1500
test 32
        Start  32: test_cifspacegroup_3
32: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "3"
32: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
32: Environment variables: 
32:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
32:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
32: Test timeout computed to be: 1500
test 33
        Start  33: test_cifspacegroup_4
33: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "4"
33: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
33: Environment variables: 
33:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
33:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
33: Test timeout computed to be: 1500
test 34
        Start  34: test_cifspacegroup_5
34: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "5"
34: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
34: Environment variables: 
34:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
34:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
34: Test timeout computed to be: 1500
test 35
        Start  35: test_cifspacegroup_6
35: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "6"
35: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
35: Environment variables: 
35:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
35:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
35: Test timeout computed to be: 1500
test 36
        Start  36: test_cifspacegroup_7
36: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "7"
36: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
36: Environment variables: 
36:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
36:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
36: Test timeout computed to be: 1500
test 37
        Start  37: test_cifspacegroup_8
37: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "8"
37: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
37: Environment variables: 
37:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
37:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
37: Test timeout computed to be: 1500
test 38
        Start  38: test_cifspacegroup_9
38: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "9"
38: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
38: Environment variables: 
38:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
38:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
38: Test timeout computed to be: 1500
test 39
        Start  39: test_cifspacegroup_10
39: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "10"
39: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
39: Environment variables: 
39:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
39:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
39: Test timeout computed to be: 1500
test 40
        Start  40: test_cifspacegroup_11
40: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "11"
40: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
40: Environment variables: 
40:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
40:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
40: Test timeout computed to be: 1500
test 41
        Start  41: test_cifspacegroup_12
41: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "12"
41: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
41: Environment variables: 
41:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
41:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
41: Test timeout computed to be: 1500
test 42
        Start  42: test_cifspacegroup_13
42: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "13"
42: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
42: Environment variables: 
42:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
42:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
42: Test timeout computed to be: 1500
test 43
        Start  43: test_cistrans_1
43: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cistranstest" "1"
43: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
43: Environment variables: 
43:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
43:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
43: Test timeout computed to be: 1500
test 44
        Start  44: test_cistrans_2
44: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cistranstest" "2"
44: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
44: Environment variables: 
44:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
44:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
44: Test timeout computed to be: 1500
test 45
        Start  45: test_cistrans_3
45: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cistranstest" "3"
45: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
45: Environment variables: 
45:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
45:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
45: Test timeout computed to be: 1500
test 46
        Start  46: test_cistrans_4
46: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cistranstest" "4"
46: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
46: Environment variables: 
46:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
46:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
46: Test timeout computed to be: 1500
test 47
        Start  47: test_cistrans_5
47: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cistranstest" "5"
47: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
47: Environment variables: 
47:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
47:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
47: Test timeout computed to be: 1500
test 48
        Start  48: test_cistrans_6
48: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cistranstest" "6"
48: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
48: Environment variables: 
48:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
48:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
48: Test timeout computed to be: 1500
test 49
        Start  49: test_cistrans_7
49: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cistranstest" "7"
49: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
49: Environment variables: 
49:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
49:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
49: Test timeout computed to be: 1500
test 50
        Start  50: test_cistrans_8
50: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cistranstest" "8"
50: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
50: Environment variables: 
50:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
50:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
50: Test timeout computed to be: 1500
test 51
        Start  51: test_cistrans_9
51: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cistranstest" "9"
51: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
51: Environment variables: 
51:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
51:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
51: Test timeout computed to be: 1500
test 52
        Start  52: test_conversion_1
52: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "conversion" "1"
52: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
52: Environment variables: 
52:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
52:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
52: Test timeout computed to be: 1500
test 53
        Start  53: test_graphsym_1
53: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "graphsymtest" "1"
53: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
53: Environment variables: 
53:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
53:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
53: Test timeout computed to be: 1500
test 54
        Start  54: test_graphsym_2
54: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "graphsymtest" "2"
54: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
54: Environment variables: 
54:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
54:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
54: Test timeout computed to be: 1500
test 55
        Start  55: test_graphsym_3
55: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "graphsymtest" "3"
55: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
55: Environment variables: 
55:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
55:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
55: Test timeout computed to be: 1500
test 56
        Start  56: test_graphsym_4
56: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "graphsymtest" "4"
56: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
56: Environment variables: 
56:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
56:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
56: Test timeout computed to be: 1500
test 57
        Start  57: test_graphsym_5
57: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "graphsymtest" "5"
57: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
57: Environment variables: 
57:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
57:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
57: Test timeout computed to be: 1500
test 58
        Start  58: test_gzip_1
58: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "gziptest" "1"
58: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
58: Environment variables: 
58:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
58:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
58: Test timeout computed to be: 1500
test 59
        Start  59: test_addh_1
59: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "addhtest" "1"
59: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
59: Environment variables: 
59:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
59:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
59: Test timeout computed to be: 1500
test 60
        Start  60: test_implicitH_1
60: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "implicitHtest" "1"
60: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
60: Environment variables: 
60:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
60:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
60: Test timeout computed to be: 1500
test 61
        Start  61: test_lssr_1
61: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "lssrtest" "1"
61: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
61: Environment variables: 
61:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
61:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
61: Test timeout computed to be: 1500
test 62
        Start  62: test_lssr_2
62: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "lssrtest" "2"
62: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
62: Environment variables: 
62:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
62:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
62: Test timeout computed to be: 1500
test 63
        Start  63: test_lssr_3
63: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "lssrtest" "3"
63: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
63: Environment variables: 
63:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
63:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
63: Test timeout computed to be: 1500
test 64
        Start  64: test_lssr_4
64: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "lssrtest" "4"
64: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
64: Environment variables: 
64:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
64:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
64: Test timeout computed to be: 1500
test 65
        Start  65: test_lssr_5
65: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "lssrtest" "5"
65: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
65: Environment variables: 
65:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
65:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
65: Test timeout computed to be: 1500
test 66
        Start  66: test_isomorphism_1
66: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "1"
66: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
66: Environment variables: 
66:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
66:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
66: Test timeout computed to be: 1500
test 67
        Start  67: test_isomorphism_2
67: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "2"
67: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
67: Environment variables: 
67:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
67:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
67: Test timeout computed to be: 1500
test 68
        Start  68: test_isomorphism_3
68: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "3"
68: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
68: Environment variables: 
68:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
68:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
68: Test timeout computed to be: 1500
test 69
        Start  69: test_isomorphism_4
69: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "4"
69: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
69: Environment variables: 
69:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
69:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
69: Test timeout computed to be: 1500
test 70
        Start  70: test_isomorphism_5
70: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "5"
70: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
70: Environment variables: 
70:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
70:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
70: Test timeout computed to be: 1500
test 71
        Start  71: test_isomorphism_6
71: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "6"
71: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
71: Environment variables: 
71:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
71:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
71: Test timeout computed to be: 1500
test 72
        Start  72: test_isomorphism_7
72: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "7"
72: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
72: Environment variables: 
72:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
72:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
72: Test timeout computed to be: 1500
test 73
        Start  73: test_isomorphism_8
73: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "8"
73: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
73: Environment variables: 
73:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
73:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
73: Test timeout computed to be: 1500
test 74
        Start  74: test_isomorphism_9
74: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "9"
74: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
74: Environment variables: 
74:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
74:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
74: Test timeout computed to be: 1500
test 75
        Start  75: test_multicml_1
75: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "multicmltest" "1"
75: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
75: Environment variables: 
75:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
75:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
75: Test timeout computed to be: 1500
test 76
        Start  76: test_periodic_1
76: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "periodictest" "1"
76: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
76: Environment variables: 
76:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
76:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
76: Test timeout computed to be: 1500
test 77
        Start  77: test_periodic_2
77: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "periodictest" "2"
77: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
77: Environment variables: 
77:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
77:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
77: Test timeout computed to be: 1500
test 78
        Start  78: test_periodic_3
78: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "periodictest" "3"
78: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
78: Environment variables: 
78:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
78:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
78: Test timeout computed to be: 1500
test 79
        Start  79: test_periodic_4
79: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "periodictest" "4"
79: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
79: Environment variables: 
79:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
79:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
79: Test timeout computed to be: 1500
test 80
        Start  80: test_regressions_222
80: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "regressionstest" "222"
80: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
80: Environment variables: 
80:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
80:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
80: Test timeout computed to be: 1500
4: 
5: testAutomorphisms
5: 8
6: Hao, Xu paper, fig. 2: structure 1
7: Hao, Xu paper, fig. 2: structure 2
8: Hao, Xu paper, fig. 2: structure 3
9: Hao, Xu paper, fig. 2: structure 4
10: Hao, Xu paper, fig. 2: structure 5
11: Hao, Xu paper, fig. 2: structure 6
12: Hao, Xu paper, fig. 2: structure 7
13: Hao, Xu paper, fig. 2: structure 8
14: Hao, Xu paper, fig. 2: structure 9
15:  Starting forcefield.sdf
15: 
16:  Starting filterset.sdf
16: 56
16: 137
17:  SMILES OC1=CC3=C([C@@]2([H])CC[C@@]4(C)[C@](CC[C@@H]4O)([H])[C@@]([H])2[C@H](CCCCCCCCCS(CCCC(F)(F)C(F)(F)F)=O)C3)C=C1
18:  SMILES O1C[C@H]2O[C@H]2c2ccc(Oc3c(O)ccc(CCC1=O)c3)cc2
19:  SMILES N12[C@@H]([C@@H](NC([C@@H](c3ccsc3)C(=O)O)=O)C2=O)SC(C)(C)[C@@-]1C(=O)O
19: ==============================
19: *** Open Babel Warning  in ParseSmiles
19:   Ignoring stereochemistry. Not enough connections to this atom. 
20:  SMILES OC1(C2=CN(CC3=CC=CC=C3F)N=N2)CCOC1
22: PASSED TESTS: 10/10
23: PASSED TESTS: 20/20
45: ==============================
45: *** Open Babel Error  in SetConfig
45:   OBCisTransStereo::SetConfig : double bond begin id is invalid.
45: ==============================
45: *** Open Babel Error  in SetConfig
45:   OBCisTransStereo::SetConfig : double bond end id is invalid.
45: ==============================
45: *** Open Babel Error  in SetConfig
45:   OBCisTransStereo::SetConfig : found 0 reference ids, should be 4.
50: ==============================
50: *** Open Babel Information  in IsOnSameAtom
50:   OBCisTransStereo::IsOnSameAtom : Atoms with id1 & id2 don't exist, must be a (deleted) hydrogens.
51: ==============================
51: *** Open Babel Information  in IsOnSameAtom
51:   OBCisTransStereo::IsOnSameAtom : Atoms with id1 & id2 don't exist, must be a (deleted) hydrogens.
52: ==============================
52: *** Open Babel Warning  in WriteMolecule
52:   No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D.
52: # Unit tests for OBConversion 
52: 1..9
52: ok 1
52: ok 2
52: ok 3
52: ok 4
52: ok 5
52: ok 6
52: ok 7
52: ok 8
53: Testing generic smiles <-> canonical smiles
53: smiles: C[C@H](O)N
53: mol1.NumAtoms = 4
53: canSmiles: C[C@H](O)N	
53: mol2.NumAtoms = 4
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: Cl[C@@](CCl)(I)Br
53: mol1.NumAtoms = 6
53: canSmiles: ClC[C@](I)(Br)Cl	
53: mol2.NumAtoms = 6
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: Cl/C=C/F
53: mol1.NumAtoms = 4
53: canSmiles: F/C=C/Cl	
53: mol2.NumAtoms = 4
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CCC[C@@H](O)CC\C=C\C=C\C#CC#C\C=C\CO
53: mol1.NumAtoms = 19
53: canSmiles: CCC[C@H](CC/C=C/C=C/C#CC#C/C=C/CO)O	
53: mol2.NumAtoms = 19
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: O1C=C[C@H]([C@H]1O2)c3c2cc(OC)c4c3OC(=O)C5=C4CCC(=O)5
53: mol1.NumAtoms = 23
53: canSmiles: COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3	
53: mol2.NumAtoms = 23
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
53: mol1.NumAtoms = 12
53: canSmiles: OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O	
53: mol2.NumAtoms = 12
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H]2[C@@H]1c3c(O)c(OC)c(O)cc3C(=O)O2
53: mol1.NumAtoms = 23
53: canSmiles: OC[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1)O)OC	
53: mol2.NumAtoms = 23
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CC(=O)OCCC(/C)=C\C[C@H](C(C)=C)CCC=C
53: mol1.NumAtoms = 18
53: canSmiles: C=CCC[C@@H](C(=C)C)C/C=C(\CCOC(=O)C)/C	
53: mol2.NumAtoms = 18
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CC[C@H](O1)CC[C@@]12CCCO2
53: mol1.NumAtoms = 11
53: canSmiles: CC[C@H]1CC[C@]2(O1)CCCO2	
53: mol2.NumAtoms = 11
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CN1CCC[C@H]1c2cccnc2
53: mol1.NumAtoms = 12
53: canSmiles: CN1CCC[C@H]1c1cccnc1	
53: mol2.NumAtoms = 12
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: C(CS[14CH2][14C@@H]1[14C@H]([14C@H]([14CH](O1)O)O)O)[C@@H](C(=O)O)N
53: mol1.NumAtoms = 17
53: canSmiles: N[C@H](C(=O)O)CCS[14CH2][14C@H]1O[14CH]([14C@@H]([14C@@H]1O)O)O	
53: mol2.NumAtoms = 17
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)C(C)Cl
53: mol1.NumAtoms = 31
53: canSmiles: CCC[C@H]1CN([C@@H](C1)C(=O)NC([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)OP(=O)(O)O)C(Cl)C)C	
53: mol2.NumAtoms = 31
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CC(C)[C@H]1CC[C@]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(CCl)O
53: mol1.NumAtoms = 21
53: canSmiles: ClC[C@]1(O)CC[C@@H]([C@@H]2[C@@H]1C(=O)OCC(=C2)C(=O)O)C(C)C	
53: mol2.NumAtoms = 21
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2
53: mol1.NumAtoms = 11
53: canSmiles: O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C	
53: mol2.NumAtoms = 11
53: .
53: 
54: Testing generic smiles <-> canonical smiles
54: smiles: Cc1cn(c(=O)[nH]c1=O)[C@H]1C[C@@H]([C@H](O1)CNCc1ccccc1)O
54: mol1.NumAtoms = 24
54: canSmiles: O[C@H]1C[C@@H](O[C@@H]1CNCc1ccccc1)n1cc(C)c(=O)[nH]c1=O	
54: mol2.NumAtoms = 24
54: .
54: 
55: stereo/razinger_fig3.mol
55: 1: 1
55: 2: 1
55: 3: 1
55: 4: 1
55: 5: 2
55: 6: 2
55: 7: 2
55: 8: 2
55: 9: 3
55: 10: 3
55: 11: 3
55: 12: 3
55: 13: 4
55: 14: 4
55: stereo/razinger_fig7_1.mol
55: 1: 1
55: 2: 5
55: 3: 2
55: 4: 4
55: 5: 3
55: stereo/razinger_fig7_2.mol
55: 1: 4
55: 2: 5
55: 3: 7
55: 4: 6
55: 5: 6
55: 6: 7
55: 7: 5
55: 8: 4
55: 9: 3
55: 10: 3
55: 11: 2
55: 12: 2
55: 13: 1
55: 14: 1
55: stereo/razinger_fig7_3.mol
55: 1: 3
55: 2: 5
55: 3: 1
55: 4: 5
55: 5: 6
55: 6: 3
55: 7: 7
55: 8: 7
55: 9: 2
55: 10: 2
55: 11: 4
55: 12: 4
55: stereo/razinger_fig7_4.mol
55: 1: 7
55: 2: 5
55: 3: 6
55: 4: 6
55: 5: 3
55: 6: 4
55: 7: 1
55: 8: 2
55: 9: 4
55: 10: 3
55: stereo/razinger_fig7_5.mol
55: 1: 4
55: 2: 4
55: 3: 4
55: 4: 5
55: 5: 3
55: 6: 3
55: 7: 3
55: 8: 1
55: 9: 2
55: 10: 1
55: 11: 2
55: 12: 2
55: 13: 1
55: stereo/razinger_fig7_6.mol
55: 1: 3
55: 2: 4
55: 3: 3
55: 4: 3
55: 5: 3
55: 6: 1
55: 7: 2
55: 8: 1
55: 9: 2
55: 10: 1
55: 11: 2
55: 12: 1
55: 13: 2
55: stereo/razinger_fig7_7.mol
55: 1: 6
55: 2: 7
55: 3: 5
55: 4: 6
55: 5: 6
55: 6: 1
55: 7: 4
55: 8: 3
55: 9: 2
55: 10: 3
55: 11: 4
55: 12: 3
55: 13: 4
55: stereo/razinger_fig7_8.mol
55: 1: 6
55: 2: 7
55: 3: 5
55: 4: 6
55: 5: 5
55: 6: 1
55: 7: 2
55: 8: 1
55: 9: 2
55: 10: 3
55: 11: 4
55: 12: 3
55: 13: 4
55: stereo/razinger_fig7_9.mol
55: 1: 8
55: 2: 10
55: 3: 9
55: 4: 8
55: 5: 7
55: 6: 5
55: 7: 2
55: 8: 1
55: 9: 6
55: 10: 3
55: 11: 4
55: 12: 3
55: 13: 4
55: stereo/razinger_fig7_10.mol
55: 1: 10
55: 2: 13
55: 3: 11
55: 4: 12
55: 5: 9
55: 6: 5
55: 7: 2
55: 8: 1
55: 9: 6
55: 10: 7
55: 11: 8
55: 12: 3
55: 13: 4
55: stereo/razinger_fig7_11.mol
55: 1: 2
55: 2: 8
55: 3: 1
55: 4: 4
55: 5: 3
55: 6: 4
55: 7: 7
55: 8: 5
55: 9: 5
55: 10: 6
55: 11: 3
55: 12: 7
55: 13: 1
55: 14: 2
55: 15: 6
55: 16: 8
55: 17: 9
55: stereo/razinger_fig7_12.mol
55: 1: 6
55: 2: 16
55: 3: 5
55: 4: 4
55: 5: 7
55: 6: 8
55: 7: 13
55: 8: 11
55: 9: 9
55: 10: 12
55: 11: 3
55: 12: 15
55: 13: 1
55: 14: 2
55: 15: 10
55: 16: 14
55: 17: 17
55: stereo/razinger_fig7_13.mol
55: 1: 4
55: 2: 4
55: 3: 3
55: 4: 2
55: 5: 1
55: 6: 3
55: 7: 1
55: 8: 2
55: 9: 3
55: 10: 2
55: 11: 1
55: 12: 3
55: 13: 2
55: 14: 1
55: stereo/razinger_fig7_14.mol
55: 1: 2
55: 2: 3
55: 3: 4
55: 4: 4
55: 5: 3
55: 6: 1
55: 7: 1
55: stereo/razinger_fig7_15.mol
55: 1: 4
55: 2: 3
55: 3: 5
55: 4: 5
55: 5: 3
55: 6: 2
55: 7: 2
55: 8: 1
55: stereo/razinger_fig7_16.mol
55: 1: 2
55: 2: 3
55: 3: 4
55: 4: 4
55: 5: 3
55: 6: 2
55: 7: 1
55: 8: 1
55: stereo/razinger_fig7_17.mol
55: 1: 3
55: 2: 5
55: 3: 4
55: 4: 5
55: 5: 3
55: 6: 2
55: 7: 1
55: 8: 1
55: stereo/razinger_fig7_18.mol
55: 1: 3
55: 2: 2
55: 3: 2
55: 4: 3
55: 5: 2
55: 6: 2
55: 7: 1
55: 8: 1
55: stereo/razinger_fig7_19.mol
55: 1: 3
55: 2: 4
55: 3: 5
55: 4: 6
55: 5: 5
55: 6: 4
55: 7: 1
55: 8: 2
55: 9: 2
56: stereo/razinger_fig7_20.mol
56: 1: 3
56: 2: 3
56: 3: 4
56: 4: 5
56: 5: 5
56: 6: 4
56: 7: 1
56: 8: 1
56: 9: 2
56: 10: 2
56: stereo/razinger_fig7_21.mol
56: 1: 4
56: 2: 6
56: 3: 5
56: 4: 7
56: 5: 5
56: 6: 6
56: 7: 2
56: 8: 3
56: 9: 3
56: 10: 1
56: 11: 1
56: stereo/razinger_fig7_22.mol
56: 1: 2
56: 2: 2
56: 3: 2
56: 4: 2
56: 5: 1
56: 6: 1
56: 7: 1
56: 8: 1
56: stereo/razinger_fig7_23.mol
56: 1: 4
56: 2: 3
56: 3: 4
56: 4: 3
56: 5: 1
56: 6: 2
56: 7: 1
56: 8: 2
56: stereo/razinger_fig7_24.mol
56: 1: 4
56: 2: 3
56: 3: 3
56: 4: 4
56: 5: 2
56: 6: 2
56: 7: 1
56: 8: 1
56: stereo/razinger_fig7_25.mol
56: 1: 2
56: 2: 3
56: 3: 4
56: 4: 2
56: 5: 3
56: 6: 3
56: 7: 4
56: 8: 4
56: 9: 1
56: 10: 4
56: 11: 1
56: 12: 1
56: 13: 2
56: 14: 3
56: 15: 2
56: 16: 1
56: stereo/razinger_fig7_26.mol
56: 1: 4
56: 2: 3
56: 3: 3
56: 4: 4
56: 5: 3
56: 6: 3
56: 7: 1
56: 8: 1
56: 9: 2
56: 10: 2
56: 11: 2
56: 12: 2
56: stereo/razinger_fig7_27.mol
56: 1: 6
56: 2: 4
56: 3: 5
56: 4: 8
56: 5: 5
56: 6: 4
56: 7: 7
56: 8: 2
56: 9: 3
56: 10: 1
56: stereo/razinger_fig7_28.mol
56: 1: 2
56: 2: 3
56: 3: 2
56: 4: 3
56: 5: 2
56: 6: 3
56: 7: 1
56: 8: 1
56: 9: 1
56: stereo/razinger_fig7_29.mol
56: 1: 3
56: 2: 5
56: 3: 4
56: 4: 6
56: 5: 4
56: 6: 5
56: 7: 1
56: 8: 1
56: 9: 2
57: stereo/razinger_fig7_48.mol
57: 1: 2
57: 2: 3
57: 3: 3
57: 4: 2
57: 5: 1
57: 6: 1
57: 7: 2
57: 8: 1
57: 9: 1
57: 10: 2
57: stereo/razinger_fig7_49.mol
57: 1: 5
57: 2: 11
57: 3: 10
57: 4: 7
57: 5: 2
57: 6: 3
57: 7: 6
57: 8: 4
57: 9: 9
57: 10: 8
57: 11: 1
57: stereo/razinger_fig7_50.mol
57: 1: 3
57: 2: 5
57: 3: 5
57: 4: 3
57: 5: 1
57: 6: 1
57: 7: 4
57: 8: 2
57: 9: 4
57: stereo/razinger_fig7_51.mol
57: 1: 3
57: 2: 6
57: 3: 7
57: 4: 5
57: 5: 1
57: 6: 2
57: 7: 4
57: 8: 4
57: 9: 6
57: 10: 7
57: 11: 3
57: 12: 2
57: 13: 1
57: 14: 5
57: stereo/razinger_fig7_52.mol
57: 1: 2
57: 2: 4
57: 3: 4
57: 4: 2
57: 5: 1
57: 6: 1
57: 7: 3
57: 8: 4
57: 9: 4
57: 10: 3
57: 11: 2
57: 12: 1
57: 13: 1
57: 14: 2
57: stereo/razinger_fig7_58.mol
57: 1: 3
57: 2: 2
57: 3: 4
57: 4: 4
57: 5: 5
57: 6: 2
57: 7: 3
57: 8: 3
57: 9: 3
57: 10: 1
57: 11: 1
57: stereo/razinger_fig7_59.mol
57: 1: 2
57: 2: 4
57: 3: 2
57: 4: 3
57: 5: 3
57: 6: 2
57: 7: 3
57: 8: 3
57: 9: 2
57: 10: 1
57: 11: 1
57: 12: 1
57: 13: 1
57: stereo/razinger_fig7_60.mol
57: 1: 3
57: 2: 7
57: 3: 4
57: 4: 5
57: 5: 6
57: 6: 4
57: 7: 5
57: 8: 6
57: 9: 3
57: 10: 2
57: 11: 1
57: 12: 2
57: 13: 1
57: stereo/razinger_fig7_64.mol
57: 1: 4
57: 2: 7
57: 3: 6
57: 4: 8
57: 5: 3
57: 6: 2
57: 7: 4
57: 8: 2
57: 9: 3
57: 10: 8
57: 11: 5
57: 12: 5
57: 13: 1
57: 14: 1
57: stereo/razinger_fig7_69.mol
57: 1: 2
57: 2: 2
57: 3: 2
57: 4: 2
57: 5: 2
57: 6: 2
57: 7: 1
57: 8: 1
57: 9: 1
57: 10: 1
57: 11: 1
57: 12: 1
58: 
58: # Testing gzip handling...  
59: 
59: # Testing addh handling...  
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/3o8g_uff.sdf
61: Shuffling: aromatics.smi
62: Shuffling: nci.smi
63: Shuffling: attype.00.smi
64: Shuffling: rings/tetrahedron.mdl
65: Verify LSSR: rings/tetrahedron.mdl
67: testIsomorphism2
68: testIsomorphism3
69: testIsomorphism4
71: testAutomorphismMask
72: testAutomorphismMask2
73: testAutomorphismPreMapping
74: testIsomorphism9
75: 
75: # Testing handling of multi-molecule cml files...  
  1/208 Test   #1: test_align_1 .....................   Passed    0.14 sec
  2/208 Test   #2: test_align_2 .....................   Passed    0.14 sec
  3/208 Test   #3: test_align_3 .....................   Passed    0.14 sec
  4/208 Test   #4: test_alias_1 .....................   Passed    0.14 sec
  5/208 Test   #5: test_automorphism_1 ..............   Passed    0.14 sec
  6/208 Test   #6: test_automorphism_2 ..............   Passed    0.14 sec
  7/208 Test   #7: test_automorphism_3 ..............   Passed    0.13 sec
  8/208 Test   #8: test_automorphism_4 ..............   Passed    0.13 sec
  9/208 Test   #9: test_automorphism_5 ..............   Passed    0.13 sec
 10/208 Test  #10: test_automorphism_6 ..............   Passed    0.13 sec
 11/208 Test  #11: test_automorphism_7 ..............   Passed    0.13 sec
 12/208 Test  #12: test_automorphism_8 ..............   Passed    0.13 sec
 13/208 Test  #13: test_automorphism_9 ..............   Passed    0.13 sec
 14/208 Test  #14: test_automorphism_10 .............   Passed    0.12 sec
 15/208 Test  #17: test_builder_3 ...................   Passed    0.12 sec
 16/208 Test  #18: test_builder_4 ...................   Passed    0.12 sec
 17/208 Test  #19: test_builder_5 ...................   Passed    0.12 sec
 18/208 Test  #20: test_builder_6 ...................   Passed    0.12 sec
 19/208 Test  #22: test_canonconsistent_2 ...........   Passed    0.11 sec
 20/208 Test  #23: test_canonconsistent_3 ...........   Passed    0.11 sec
 21/208 Test  #24: test_canonfragment_1 .............   Passed    0.11 sec
 22/208 Test  #26: test_carspacegroup_1 .............   Passed    0.11 sec
 23/208 Test  #32: test_cifspacegroup_3 .............   Passed    0.10 sec
 24/208 Test  #43: test_cistrans_1 ..................   Passed    0.08 sec
 25/208 Test  #44: test_cistrans_2 ..................   Passed    0.07 sec
 26/208 Test  #45: test_cistrans_3 ..................   Passed    0.07 sec
 27/208 Test  #46: test_cistrans_4 ..................   Passed    0.07 sec
 28/208 Test  #47: test_cistrans_5 ..................   Passed    0.07 sec
 29/208 Test  #48: test_cistrans_6 ..................   Passed    0.07 sec
 30/208 Test  #49: test_cistrans_7 ..................   Passed    0.07 sec
 31/208 Test  #50: test_cistrans_8 ..................   Passed    0.06 sec
 32/208 Test  #51: test_cistrans_9 ..................   Passed    0.06 sec
 33/208 Test  #52: test_conversion_1 ................   Passed    0.06 sec
 34/208 Test  #53: test_graphsym_1 ..................   Passed    0.06 sec
 35/208 Test  #54: test_graphsym_2 ..................   Passed    0.06 sec
 36/208 Test  #55: test_graphsym_3 ..................   Passed    0.06 sec
 37/208 Test  #57: test_graphsym_5 ..................   Passed    0.05 sec
 38/208 Test  #76: test_periodic_1 ..................   Passed    0.02 sec
 39/208 Test  #77: test_periodic_2 ..................   Passed    0.02 sec
test 81
        Start  81: test_regressions_223
81: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "regressionstest" "223"
81: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
81: Environment variables: 
81:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
81:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
81: Test timeout computed to be: 1500
test 82
        Start  82: test_regressions_224
82: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "regressionstest" "224"
82: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
82: Environment variables: 
82:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
82:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
82: Test timeout computed to be: 1500
test 83
        Start  83: test_rotor_1
83: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "rotortest" "1"
83: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
83: Environment variables: 
83:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
83:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
83: Test timeout computed to be: 1500
test 84
        Start  84: test_rotor_2
84: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "rotortest" "2"
84: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
84: Environment variables: 
84:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
84:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
84: Test timeout computed to be: 1500
test 85
        Start  85: test_rotor_3
85: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "rotortest" "3"
85: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
85: Environment variables: 
85:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
85:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
85: Test timeout computed to be: 1500
test 86
        Start  86: test_rotor_4
86: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "rotortest" "4"
86: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
86: Environment variables: 
86:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
86:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
86: Test timeout computed to be: 1500
test 87
        Start  87: test_shuffle_1
87: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "shuffletest" "1"
87: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
87: Environment variables: 
87:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
87:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
87: Test timeout computed to be: 1500
test 88
        Start  88: test_shuffle_2
88: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "shuffletest" "2"
88: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
88: Environment variables: 
88:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
88:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
88: Test timeout computed to be: 1500
test 89
        Start  89: test_shuffle_3
89: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "shuffletest" "3"
89: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
89: Environment variables: 
89:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
89:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
89: Test timeout computed to be: 1500
test 90
        Start  90: test_shuffle_4
90: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "shuffletest" "4"
90: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
90: Environment variables: 
90:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
90:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
90: Test timeout computed to be: 1500
test 91
        Start  91: test_shuffle_5
91: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "shuffletest" "5"
91: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
91: Environment variables: 
91:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
91:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
91: Test timeout computed to be: 1500
test 92
        Start  92: test_smiles_1
92: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "smilestest" "1"
92: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
92: Environment variables: 
92:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
92:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
92: Test timeout computed to be: 1500
test 93
        Start  93: test_smiles_2
93: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "smilestest" "2"
93: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
93: Environment variables: 
93:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
93:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
93: Test timeout computed to be: 1500
test 94
        Start  94: test_smiles_3
94: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "smilestest" "3"
94: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
94: Environment variables: 
94:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
94:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
94: Test timeout computed to be: 1500
test 95
        Start  95: test_spectrophore_1
95: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "spectrophoretest" "1"
95: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
95: Environment variables: 
95:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
95:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
95: Test timeout computed to be: 1500
test 96
        Start  96: test_spectrophore_2
96: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "spectrophoretest" "2"
96: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
96: Environment variables: 
96:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
96:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
96: Test timeout computed to be: 1500
test 97
        Start  97: test_spectrophore_3
97: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "spectrophoretest" "3"
97: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
97: Environment variables: 
97:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
97:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
97: Test timeout computed to be: 1500
test 98
        Start  98: test_spectrophore_4
98: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "spectrophoretest" "4"
98: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
98: Environment variables: 
98:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
98:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
98: Test timeout computed to be: 1500
test 99
        Start  99: test_spectrophore_5
99: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "spectrophoretest" "5"
99: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
99: Environment variables: 
99:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
99:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
99: Test timeout computed to be: 1500
test 100
        Start 100: test_squareplanar_1
100: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "squareplanartest" "1"
100: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
100: Environment variables: 
100:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
100:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
100: Test timeout computed to be: 1500
test 101
        Start 101: test_squareplanar_2
101: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "squareplanartest" "2"
101: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
101: Environment variables: 
101:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
101:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
101: Test timeout computed to be: 1500
test 102
        Start 102: test_squareplanar_3
102: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "squareplanartest" "3"
102: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
102: Environment variables: 
102:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
102:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
102: Test timeout computed to be: 1500
test 103
        Start 103: test_squareplanar_4
103: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "squareplanartest" "4"
103: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
103: Environment variables: 
103:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
103:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
103: Test timeout computed to be: 1500
test 104
        Start 104: test_squareplanar_5
104: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "squareplanartest" "5"
104: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
104: Environment variables: 
104:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
104:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
104: Test timeout computed to be: 1500
test 105
        Start 105: test_stereo_1
105: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "stereotest" "1"
105: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
105: Environment variables: 
105:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
105:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
105: Test timeout computed to be: 1500
test 106
        Start 106: test_stereo_2
106: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "stereotest" "2"
106: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
106: Environment variables: 
106:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
106:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
106: Test timeout computed to be: 1500
test 107
        Start 107: test_stereo_3
107: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "stereotest" "3"
107: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
107: Environment variables: 
107:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
107:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
107: Test timeout computed to be: 1500
test 108
        Start 108: test_stereo_4
108: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "stereotest" "4"
108: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
108: Environment variables: 
108:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
108:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
108: Test timeout computed to be: 1500
test 109
        Start 109: test_stereo_5
109: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "stereotest" "5"
109: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
109: Environment variables: 
109:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
109:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
109: Test timeout computed to be: 1500
test 110
        Start 110: test_stereo_6
110: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "stereotest" "6"
110: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
110: Environment variables: 
110:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
110:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
110: Test timeout computed to be: 1500
test 111
        Start 111: test_stereoperception_1
111: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "stereoperceptiontest" "1"
111: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
111: Environment variables: 
111:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
111:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
111: Test timeout computed to be: 1500
test 112
        Start 112: test_stereoperception_2
112: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "stereoperceptiontest" "2"
112: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
112: Environment variables: 
112:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
112:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
112: Test timeout computed to be: 1500
test 113
        Start 113: test_stereoperception_3
113: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "stereoperceptiontest" "3"
113: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
113: Environment variables: 
113:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
113:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
113: Test timeout computed to be: 1500
test 114
        Start 114: test_stereoperception_4
114: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "stereoperceptiontest" "4"
114: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
114: Environment variables: 
114:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
114:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
114: Test timeout computed to be: 1500
test 115
        Start 115: test_tautomer_1
115: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "1"
115: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
115: Environment variables: 
115:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
115:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
115: Test timeout computed to be: 1500
test 116
        Start 116: test_tautomer_2
116: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "2"
116: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
116: Environment variables: 
116:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
116:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
116: Test timeout computed to be: 1500
test 117
        Start 117: test_tautomer_3
117: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "3"
117: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
117: Environment variables: 
117:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
117:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
117: Test timeout computed to be: 1500
test 118
        Start 118: test_tautomer_4
118: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "4"
118: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
118: Environment variables: 
118:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
118:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
118: Test timeout computed to be: 1500
test 119
        Start 119: test_tautomer_5
119: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "5"
119: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
119: Environment variables: 
119:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
119:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
119: Test timeout computed to be: 1500
15: /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
16: 135
16: 134
16: 133
16: 129
 40/208 Test  #56: test_graphsym_4 ..................   Passed    0.14 sec
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/10gs_vww.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/12gs_0hh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/13gs_sas.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/19gs_bsp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a2n_tet.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a42_bzu.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a4m_prh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a4q_dpc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a4r_gnh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a5h_bba.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a5v_y3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a6v_npc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a6w_nip.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a72_pad.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a7a_adc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a7x_fka.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a82_dnn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a85_0dy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a86_0zb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a8t_061.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a96_xan.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a97_5gp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aax_bpm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ab8_fok.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ac4_tmt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ac8_tmz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aco_tra.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ad4_hh2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1adb_cnd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1add_1da.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1adg_sad.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ady_ham.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aeb_3mt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aed_dti.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aef_3ap.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aeg_4ap.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aeh_24t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aej_nvi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aek_idm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aem_mpi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aen_25t.sdf
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59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 2 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 11 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 32 N
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e8m_p0h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e8v_dan.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e90_myc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e92_hbi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e98_atm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e9a_z5a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1eb2_bpo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ebm_8og.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ebu_hse.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ebu_nda.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ebv_scl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ec8_glr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ec9_xyh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ecc_pcp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ecq_dxg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ecv_878.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ed6_ilo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1eei_gaa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1eet_bfu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ef3_fid.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1efi_gat.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1efy_bzc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1egy_9ap.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1eh4_ic1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ejn_agb.sdf
64: Shuffling: rings/cubane.mdl
64: Shuffling: rings/cubane2.mdl
64: Shuffling: rings/octahedron.mdl
64: Shuffling: rings/bridged1.mdl
64: Shuffling: rings/fullerene20.mdl
64: Shuffling: rings/fullerene60.mdl
65: Verify LSSR: rings/cubane.mdl
65: Verify LSSR: rings/cubane2.mdl
65: Verify LSSR: rings/octahedron.mdl
65: Verify LSSR: rings/bridged1.mdl
65: Verify LSSR: rings/fullerene20.mdl
65: Verify LSSR: rings/fullerene60.mdl
67: 1
68: 2
69: 2
71: 4
71: 8
71: 0 1 2 3 4 5 9 8 7 10 11 12 13 
71: 0 1 2 3 4 5 9 8 13 12 11 10 7 
71: 4 3 2 1 0 5 9 8 7 10 11 12 13 
71: 4 3 2 1 0 5 9 8 13 12 11 10 7 
71: 10 7 8 13 12 11 9 2 1 0 5 4 3 
71: 10 7 8 13 12 11 9 2 3 4 5 0 1 
71: 12 13 8 7 10 11 9 2 1 0 5 4 3 
71: 12 13 8 7 10 11 9 2 3 4 5 0 1 
73: 2
 41/208 Test  #79: test_periodic_4 ..................   Passed    0.10 sec
60: Mol#0, Title 2707, Original atoms vs New atoms: 10 vs 10
60: 
60: Mol#1, Title 167, Original atoms vs New atoms: 16 vs 16
60: 
60: Mol#2, Title 281, Original atoms vs New atoms: 2 vs 2
60: 
60: Mol#3, Title 1419, Original atoms vs New atoms: 54 vs 54
60: 
60: Mol#4, Title 1600, Original atoms vs New atoms: 37 vs 37
60: 
60: Mol#5, Title 5081, Original atoms vs New atoms: 38 vs 38
60: 
60: Mol#6, Title 5726, Original atoms vs New atoms: 32 vs 32
60: 
60: Mol#7, Title 9107, Original atoms vs New atoms: 36 vs 36
60: 
60: Mol#8, Title 9550, Original atoms vs New atoms: 5 vs 5
60: 
60: Mol#9, Title 9863, Original atoms vs New atoms: 2 vs 2
60: 
60: Mol#10, Title 14768, Original atoms vs New atoms: 6 vs 6
60: 
60: Mol#11, Title 14857, Original atoms vs New atoms: 18 vs 18
60: 
60: Mol#12, Title 14858, Original atoms vs New atoms: 19 vs 19
60: 
60: Mol#13, Title 19914, Original atoms vs New atoms: 15 vs 15
60: 
60: Mol#14, Title 20438, Original atoms vs New atoms: 19 vs 19
60: 
60: Mol#15, Title 20939, Original atoms vs New atoms: 12 vs 12
60: 
60: Mol#16, Title 20940, Original atoms vs New atoms: 20 vs 20
60: 
60: Mol#17, Title 21316, Original atoms vs New atoms: 19 vs 19
60: 
60: Mol#18, Title 21317, Original atoms vs New atoms: 13 vs 13
60: 
60: Mol#19, Title 21318, Original atoms vs New atoms: 17 vs 17
60: 
60: Mol#20, Title 21857, Original atoms vs New atoms: 15 vs 15
60: 
60: Mol#21, Title 23356, Original atoms vs New atoms: 22 vs 22
60: 
60: Mol#22, Title 23699, Original atoms vs New atoms: 22 vs 22
60: 
60: Mol#23, Title 24261, Original atoms vs New atoms: 3 vs 3
60: 
60: Mol#24, Title 24530, Original atoms vs New atoms: 4 vs 4
60: 
60: Mol#25, Title 24771, Original atoms vs New atoms: 10 vs 10
60: 
70: 3
70: 1
70: 2
70: 1
33: ==============================
33: *** Open Babel Warning  in Find
33:   Unknown space group error, please file a bug report.
33: ==============================
33: *** Open Babel Warning  in Do
33:   Converting to P 1 cell using available symmetry transformations.
21: PASSED TESTS: 18/18
87:  True Shuffling: COc1cc2c(cc1O)CN1C[C@@H]2c2cc(OC)c(cc2C1)O
87: ref = COc1cc2c(cc1O)CN1C[C@@H]2c2cc(OC)c(cc2C1)O
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: C(C1C=CCCC1)(C(=O)N/N=C/c1ccc(cc1)C#N)C(=O)N/N=C\c1ccc(cc1)C#N
87: ref = N#Cc1ccc(cc1)/C=N/NC(=O)C(C1CCCC=C1)C(=O)N/N=C\c1ccc(cc1)C#N
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: C(C1C=CCCC1)(C(=O)N/N=C\c1ccc(cc1)C#N)C(=O)N/N=C/c1ccc(cc1)C#N
87: ref = N#Cc1ccc(cc1)/C=N/NC(=O)C(C1CCCC=C1)C(=O)N/N=C\c1ccc(cc1)C#N
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: CC(=O)O.N=C\1/C=C/C(=C(/c2ccc(N)cc2)\c2ccc(N)c(C)c2)/C=C1
87: ref = N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1.CC(=O)O
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88:  True Shuffling: Br.CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1SC(=O)CCCCn1ccccc1
88: ==============================
88: *** Open Babel Warning  in ParseSmiles
88:   Failed to kekulize aromatic SMILES
88: 
88: ref = O=C(Sc1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C)CCCCN1[CH]C=CC=C1.Br
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.CC(=O)Nc1cccc(c1)S(=O)(=O)c1cccc(NC(=O)c2ccccc2SC(=O)CCCCn2ccccc2)c1
88: ==============================
88: *** Open Babel Warning  in ParseSmiles
88:   Failed to kekulize aromatic SMILES
88: 
88: ref = CC(=O)Nc1cccc(c1)S(=O)(=O)c1cccc(c1)NC(=O)c1ccccc1SC(=O)CCCCN1[CH]C=CC=C1.Br
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.COc1ccc(cc1)Cn1cccc(O)c1
88: ==============================
88: *** Open Babel Warning  in ParseSmiles
88:   Failed to kekulize aromatic SMILES
88: 
88: ref = COc1ccc(cc1)CN1[CH]C=CC(=C1)O.Br
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.COc1ccc2c(c1)[C@]13CCCC[C@@H]3[C@H](N(C)CC1)[C@@]12CC1
88: ref = COc1ccc2c(c1)[C@]13CCCC[C@@H]3[C@@H](C32CC3)N(CC1)C.Br
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.NCCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
88: ref = NCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
89:  True Shuffling: O[C@H]1CC[C@@H](O)CC1
89: ref = O[C@@H]1CC[C@@H](CC1)O
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: O[C@H]1C[C@@H](O)C[C@H](O)C1
89: ref = O[C@@H]1C[C@H](O)C[C@H](C1)O
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: O[C@H]1C[C@@H](O)C[C@@H](O)C1
89: ref = O[C@@H]1C[C@H](O)C[C@@H](C1)O
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: [C@@H]1([C@H]([C@H]([C@H]1C)C)C)C
89: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/cyclobutane_D1.smi
89: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/razinger_fig7_5_spec.mol
89: ref = O[C@H](CC(C[C@H](F)O)C[C@H](F)O)F
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/cyclohexanediol_D1.mol
89: ref = O[C@@H]1CC[C@@H](CC1)O
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/cyclohexanediol_D2.mol
89: ref = O[C@@H]1CC[C@H](CC1)O
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/cyclohexanetriol_D1.mol
89: ref = O[C@@H]1C[C@H](O)C[C@@H](C1)O
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/cyclohexanetriol_D2.mol
89: ref = O[C@@H]1C[C@H](O)C[C@H](C1)O
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/cyclobutane_D1.mol
89: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/cyclobutane_D2.mol
89: ref = C[C@@H]1[C@H](C)[C@H]([C@@H]1C)C
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/cyclobutane_D3.mol
89: ref = C[C@@H]1[C@@H](C)[C@@H]([C@H]1C)C
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/cyclobutane_D4.mol
89: ref = C[C@@H]1[C@H](C)[C@H]([C@H]1C)C
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: [C@@H]1([C@H]([C@H]([C@H]1C)C)C)C
89: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: [C@@H]1([C@@H]([C@H]([C@H]1C)C)C)C
89: ref = C[C@@H]1[C@H](C)[C@H]([C@@H]1C)C
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: [C@@H]1([C@@H]([C@H]([C@@H]1C)C)C)C
89: ref = C[C@@H]1[C@@H](C)[C@@H]([C@H]1C)C
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_19_spec1.mol
90: ref = C[C@@H]1[C@@H](C)CCC[C@H]1C
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_19_spec2.mol
90: ref = C[C@@H]1[C@@H](C)CCC[C@@H]1C
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_19_spec3.mol
90: ref = C[C@@H]1[C@@H](C)CCC[C@@H]1C
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_19_spec4.mol
90: ref = C[C@@H]1[C@H](C)CCC[C@H]1C
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_19_spec5.mol
90: ref = C[C@@H]1[C@H](C)CCC[C@H]1C
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_20_spec1.mol
90: ref = C[C@H]1[C@H](C)CC[C@@H]([C@@H]1C)C
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_26_spec1.mol
90: ref = C[C@@H]1[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)C
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_59_spec1.mol
90: ref = C[C@@H]1C[C@]2(C[C@H]1C)C[C@H]([C@H](C2)C)C
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_30.mol
90: ref = C/C=C/C
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_34.mol
90: ref = C/C=C/C(/C=C/C)C
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_35.mol
90: ref = C/C=C/C=C/C
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_36.mol
90: ref = CC(/C=C/C(O)C)O
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_37.mol
90: ref = CCC(C(/C=C/C(C(CC)CC)C)C)CC
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_38.mol
90: ref = CC(/C(=C(\C(F)C)/C(F)C)/C(F)C)F
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_39.mol
90: ref = CC(C(=C=C(C(F)C)C(F)C)C(F)C)F
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon1.mol
91: ref = C[C@H](C[C@H](O)C)C[C@@H](O)C	canon1
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon2.mol
91: ref = C[C@@H](C[C@@H](O)C)C[C@@H](O)C	canon2
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon3.mol
91: ref = C[C@@H]1CC[C@H](CC1)C	canon3
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon4.mol
91: ref = C[C@@H]1CC[C@@H](CC1)C	canon4
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon5.mol
91: ref = C[C@@H]1CC[C@]2(CC1)CC[C@@H](CC2)C	canon5
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon6.mol
91: ref = C[C@@H]1C[C@H](O)C[C@@H](C1)O	canon6
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon7.mol
91: ref = C[C@@H]1C[C@@H](O)C[C@@H](C1)O	canon7
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon8.mol
91: ref = C[C@]12CCCC[C@]2(C)CCCC1	canon8
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon9.mol
91: ref = C[C@@H]([C@@H]1CC[C@H](CC1)C)[C@@H]1CC[C@@H](CC1)C	canon9
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon10.mol
91: ref = C[C@@H]1[C@@H]([C@@H]1C)C	canon10
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon11.mol
91: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C	canon11
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon12.mol
91: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]([C@@H]1C)C)C	canon12
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon13.mol
91: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@@H]([C@@H]1C)C)C	canon13
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon14.mol
91: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1O)O	canon14
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon15.mol
91: ref = C[C@@H]1[C@H](O)[C@@H]([C@@H]1O)C	canon15
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon16.mol
91: ref = C[C@@H]1C[C@H](C1)C[C@](C[C@@H]1C[C@@H](C1)C)(C[C@@H]1CC[C@H](CC1)C)C[C@@H]1CC[C@@H](CC1)C	canon16
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon17.mol
92: testTetrahedralStereo1()
92: smiles: C[C@H](O)N
92: OBTetrahedralStereo(center = 1, viewFrom = 0, refs = H 3 2 , clockwise)
92: 
92: Testing generic smiles <-> canonical smiles
92: smiles: C[C@H](O)N
92: mol.NumAtoms = 4
92: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
92: canSmiles: C[C@H](O)N	
92: mol.NumAtoms = 4
92: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
92: .
92: 
92: Testing generic smiles <-> canonical smiles
92: smiles: Cl[C@@](CCl)(I)Br
92: mol.NumAtoms = 6
92: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 6, refs = 2 4 5 , clockwise)
92: canSmiles: ClC[C@](I)(Br)Cl	
92: mol.NumAtoms = 6
92: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 4 6 5 , clockwise)
92: .
92: 
92: Testing generic smiles <-> canonical smiles
92: smiles: Cl/C=C/F
92: mol.NumAtoms = 4
92: Config with symmetry ids: OBCisTransStereo::Config(begin = 3, end = 2, refs = 4 H 1 H , shape = U)
92: canSmiles: F/C=C/Cl	
92: mol.NumAtoms = 4
92: Config with symmetry ids: OBCisTransStereo::Config(begin = 2, end = 3, refs = 1 H 4 H , shape = U)
92: .
92: 
93: Testing generic smiles <-> canonical smiles
93: smiles: F[Po@SP1](Cl)(Br)I
93: mol.NumAtoms = 5
93: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 5 4 3 , shape = U)
93: canSmiles: F[Po@SP1](I)(Br)Cl	
93: mol.NumAtoms = 5
93: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 3 4 5 , shape = U)
93: .
93: 
93: Testing generic smiles <-> canonical smiles
93: smiles: F[Po@SP2](Br)(Cl)I
93: mol.NumAtoms = 5
93: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 5 4 3 , shape = U)
93: canSmiles: F[Po@SP1](I)(Br)Cl	
93: mol.NumAtoms = 5
93: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 3 4 5 , shape = U)
93: .
93: 
93: Testing generic smiles <-> canonical smiles
93: smiles: F[Po@SP3](Cl)(I)Br
93: mol.NumAtoms = 5
93: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 5 4 3 , shape = U)
93: canSmiles: F[Po@SP1](I)(Br)Cl	
93: mol.NumAtoms = 5
93: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 3 4 5 , shape = U)
93: .
93: 
94: Testing generic smiles <-> canonical smiles
94: smiles: CCC[C@@H](O)CC\C=C\C=C\C#CC#C\C=C\CO
94: mol.NumAtoms = 19
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 6 5 , clockwise)
94: Config with symmetry ids: OBCisTransStereo::Config(begin = 8, end = 9, refs = 7 H 10 H , shape = U)
94: Config with symmetry ids: OBCisTransStereo::Config(begin = 10, end = 11, refs = 9 H 12 H , shape = U)
94: Config with symmetry ids: OBCisTransStereo::Config(begin = 16, end = 17, refs = 15 H 18 H , shape = U)
94: canSmiles: CCC[C@H](CC/C=C/C=C/C#CC#C/C=C/CO)O	
94: mol.NumAtoms = 19
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 6 5 , clockwise)
94: Config with symmetry ids: OBCisTransStereo::Config(begin = 8, end = 9, refs = 7 H 10 H , shape = U)
94: Config with symmetry ids: OBCisTransStereo::Config(begin = 10, end = 11, refs = 9 H 12 H , shape = U)
94: Config with symmetry ids: OBCisTransStereo::Config(begin = 16, end = 17, refs = 15 H 18 H , shape = U)
94: .
94: 
94: Testing generic smiles <-> canonical smiles
94: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
94: mol.NumAtoms = 12
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
94: canSmiles: OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O	
94: mol.NumAtoms = 12
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
94: .
94: 
94: Testing generic smiles <-> canonical smiles
94: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H]2[C@@H]1c3c(O)c(OC)c(O)cc3C(=O)O2
94: mol.NumAtoms = 23
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
94: canSmiles: OC[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1)O)OC	
94: mol.NumAtoms = 23
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
94: .
94: 
94: Testing generic smiles <-> canonical smiles
94: smiles: CC(=O)OCCC(/C)=C\C[C@H](C(C)=C)CCC=C
94: mol.NumAtoms = 18
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 7, refs = H 4 6 , clockwise)
94: Config with symmetry ids: OBCisTransStereo::Config(begin = 11, end = 10, refs = 13 12 7 H , shape = U)
94: canSmiles: C=CCC[C@@H](C(=C)C)C/C=C(\CCOC(=O)C)/C	
94: mol.NumAtoms = 18
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 4, refs = H 6 7 , clockwise)
94: Config with symmetry ids: OBCisTransStereo::Config(begin = 10, end = 11, refs = 7 H 13 12 , shape = U)
94: .
94: 
94: Testing generic smiles <-> canonical smiles
94: smiles: CC[C@H](O1)CC[C@@]12CCCO2
94: mol.NumAtoms = 11
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 5 9 8 , clockwise)
94: canSmiles: CC[C@H]1CC[C@]2(O1)CCCO2	
94: mol.NumAtoms = 11
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 9 8 5 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 9 8 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 5 9 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: .
94: 
94: Testing generic smiles <-> canonical smiles
94: smiles: CN1CCC[C@H]1c2cccnc2
94: mol.NumAtoms = 12
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 6, refs = H 7 2 , clockwise)
94: canSmiles: CN1CCC[C@H]1c1cccnc1	
94: mol.NumAtoms = 12
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 6, refs = H 7 2 , clockwise)
94: .
94: 
94: Testing generic smiles <-> canonical smiles
94: smiles: CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2
94: mol.NumAtoms = 11
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 9, refs = 7 3 8 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 8, refs = H 5 4 , clockwise)
94: canSmiles: O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C	
94: mol.NumAtoms = 11
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = 8 9 7 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 5, refs = H 4 8 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = 8 9 7 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 7, viewFrom = 5, refs = H 4 8 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 9, refs = 7 3 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 9, refs = 7 3 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 7, viewFrom = 5, refs = H 4 8 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 7, viewFrom = 8, refs = H 5 4 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 7, viewFrom = 8, refs = H 5 4 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = 8 9 7 , clockwise)
94: .
94: 
94: Testing generic smiles <-> canonical smiles
94: smiles: CC(C)[C@H]1CC[C@]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(CCl)O
94: mol.NumAtoms = 21
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
94: canSmiles: ClC[C@]1(O)CC[C@@H]([C@@H]2[C@@H]1C(=O)OCC(=C2)C(=O)O)C(C)C	
94: mol.NumAtoms = 21
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
94: .
94: 
94: Testing generic smiles <-> canonical smiles
94: smiles: C(CS[14CH2][14C@@H]1[14C@H]([14C@H]([14CH](O1)O)O)O)[C@@H](C(=O)O)N
94: mol.NumAtoms = 17
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
94: canSmiles: N[C@H](C(=O)O)CCS[14CH2][14C@H]1O[14CH]([14C@@H]([14C@@H]1O)O)O	
94: mol.NumAtoms = 17
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
94: .
94: 
94: Testing generic smiles <-> canonical smiles
94: smiles: CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)C(C)Cl
94: mol.NumAtoms = 31
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
94: canSmiles: CCC[C@H]1CN([C@@H](C1)C(=O)NC([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)OP(=O)(O)O)C(Cl)C)C	
94: mol.NumAtoms = 31
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
94: .
94: 
100: end
101: end
102: This error can be ignored
102: ==============================
102: *** Open Babel Error  in SetConfig
102:   OBSquarePlanarStereo::SetConfig : found 0 reference ids, should be 4.
102: end
103: end
104: end
 42/208 Test  #21: test_canonconsistent_1 ...........   Passed    0.21 sec
 43/208 Test  #27: test_carspacegroup_2 .............   Passed    0.20 sec
 44/208 Test  #28: test_carspacegroup_3 .............   Passed    0.20 sec
 45/208 Test  #29: test_carspacegroup_4 .............   Passed    0.19 sec
 46/208 Test  #30: test_cifspacegroup_1 .............   Passed    0.19 sec
 47/208 Test  #31: test_cifspacegroup_2 .............   Passed    0.19 sec
 48/208 Test  #33: test_cifspacegroup_4 .............   Passed    0.19 sec
 49/208 Test  #34: test_cifspacegroup_5 .............   Passed    0.19 sec
 50/208 Test  #35: test_cifspacegroup_6 .............   Passed    0.18 sec
 51/208 Test  #36: test_cifspacegroup_7 .............   Passed    0.18 sec
 52/208 Test  #38: test_cifspacegroup_9 .............   Passed    0.18 sec
 53/208 Test  #39: test_cifspacegroup_10 ............   Passed    0.18 sec
 54/208 Test  #40: test_cifspacegroup_11 ............   Passed    0.18 sec
 55/208 Test  #42: test_cifspacegroup_13 ............   Passed    0.17 sec
 56/208 Test  #60: test_implicitH_1 .................   Passed    0.14 sec
 57/208 Test  #61: test_lssr_1 ......................   Passed    0.14 sec
 58/208 Test  #65: test_lssr_5 ......................   Passed    0.13 sec
 59/208 Test  #66: test_isomorphism_1 ...............   Passed    0.13 sec
 60/208 Test  #67: test_isomorphism_2 ...............   Passed    0.13 sec
 61/208 Test  #68: test_isomorphism_3 ...............   Passed    0.13 sec
 62/208 Test  #69: test_isomorphism_4 ...............   Passed    0.12 sec
 63/208 Test  #70: test_isomorphism_5 ...............   Passed    0.12 sec
 64/208 Test  #71: test_isomorphism_6 ...............   Passed    0.12 sec
 65/208 Test  #72: test_isomorphism_7 ...............   Passed    0.12 sec
 66/208 Test  #73: test_isomorphism_8 ...............   Passed    0.12 sec
 67/208 Test  #74: test_isomorphism_9 ...............   Passed    0.12 sec
 68/208 Test  #75: test_multicml_1 ..................   Passed    0.11 sec
 69/208 Test  #78: test_periodic_3 ..................   Passed    0.11 sec
 70/208 Test  #80: test_regressions_222 .............   Passed    0.10 sec
 71/208 Test  #81: test_regressions_223 .............   Passed    0.09 sec
 72/208 Test  #82: test_regressions_224 .............   Passed    0.09 sec
 73/208 Test  #83: test_rotor_1 .....................   Passed    0.09 sec
 74/208 Test  #84: test_rotor_2 .....................   Passed    0.09 sec
 75/208 Test  #85: test_rotor_3 .....................   Passed    0.08 sec
 76/208 Test  #86: test_rotor_4 .....................   Passed    0.08 sec
 77/208 Test  #90: test_shuffle_4 ...................   Passed    0.07 sec
 78/208 Test  #92: test_smiles_1 ....................   Passed    0.07 sec
 79/208 Test  #93: test_smiles_2 ....................   Passed    0.07 sec
 80/208 Test  #94: test_smiles_3 ....................   Passed    0.07 sec
 81/208 Test  #96: test_spectrophore_2 ..............   Passed    0.06 sec
 82/208 Test  #97: test_spectrophore_3 ..............   Passed    0.06 sec
 83/208 Test  #98: test_spectrophore_4 ..............   Passed    0.06 sec
 84/208 Test  #99: test_spectrophore_5 ..............   Passed    0.06 sec
 85/208 Test #100: test_squareplanar_1 ..............   Passed    0.05 sec
 86/208 Test #101: test_squareplanar_2 ..............   Passed    0.05 sec
 87/208 Test #102: test_squareplanar_3 ..............   Passed    0.05 sec
 88/208 Test #103: test_squareplanar_4 ..............   Passed    0.05 sec
 89/208 Test #104: test_squareplanar_5 ..............   Passed    0.05 sec
 90/208 Test #105: test_stereo_1 ....................   Passed    0.04 sec
 91/208 Test #106: test_stereo_2 ....................   Passed    0.04 sec
 92/208 Test #107: test_stereo_3 ....................   Passed    0.04 sec
 93/208 Test #108: test_stereo_4 ....................   Passed    0.04 sec
 94/208 Test #109: test_stereo_5 ....................   Passed    0.03 sec
test 120
        Start 120: test_tautomer_6
120: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "6"
120: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
120: Environment variables: 
120:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
120:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
120: Test timeout computed to be: 1500
test 121
        Start 121: test_tautomer_7
121: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "7"
121: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
121: Environment variables: 
121:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
121:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
121: Test timeout computed to be: 1500
test 122
        Start 122: test_tautomer_8
122: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "8"
122: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
122: Environment variables: 
122:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
122:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
122: Test timeout computed to be: 1500
test 123
        Start 123: test_tautomer_9
123: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "9"
123: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
123: Environment variables: 
123:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
123:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
123: Test timeout computed to be: 1500
test 124
        Start 124: test_tautomer_10
124: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "10"
124: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
124: Environment variables: 
124:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
124:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
124: Test timeout computed to be: 1500
test 125
        Start 125: test_tautomer_11
125: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "11"
125: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
125: Environment variables: 
125:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
125:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
125: Test timeout computed to be: 1500
test 126
        Start 126: test_tautomer_12
126: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "12"
126: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
126: Environment variables: 
126:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
126:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
126: Test timeout computed to be: 1500
test 127
        Start 127: test_tautomer_13
127: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "13"
127: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
127: Environment variables: 
127:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
127:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
127: Test timeout computed to be: 1500
test 128
        Start 128: test_tautomer_14
128: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "14"
128: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
128: Environment variables: 
128:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
128:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
128: Test timeout computed to be: 1500
test 129
        Start 129: test_tautomer_15
129: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "15"
129: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
129: Environment variables: 
129:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
129:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
129: Test timeout computed to be: 1500
test 130
        Start 130: test_tautomer_16
130: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "16"
130: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
130: Environment variables: 
130:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
130:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
130: Test timeout computed to be: 1500
test 131
        Start 131: test_tautomer_17
131: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "17"
131: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
131: Environment variables: 
131:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
131:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
131: Test timeout computed to be: 1500
test 132
        Start 132: test_tautomer_18
132: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "18"
132: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
132: Environment variables: 
132:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
132:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
132: Test timeout computed to be: 1500
test 133
        Start 133: test_tautomer_19
133: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "19"
133: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
133: Environment variables: 
133:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
133:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
133: Test timeout computed to be: 1500
test 134
        Start 134: test_tautomer_20
134: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "20"
134: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
134: Environment variables: 
134:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
134:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
134: Test timeout computed to be: 1500
test 135
        Start 135: test_tautomer_21
135: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "21"
135: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
135: Environment variables: 
135:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
135:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
135: Test timeout computed to be: 1500
test 136
        Start 136: test_tautomer_22
136: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "22"
136: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
136: Environment variables: 
136:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
136:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
136: Test timeout computed to be: 1500
test 137
        Start 137: test_tautomer_23
137: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "23"
137: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
137: Environment variables: 
137:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
137:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
137: Test timeout computed to be: 1500
test 138
        Start 138: test_tautomer_24
138: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "24"
138: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
138: Environment variables: 
138:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
138:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
138: Test timeout computed to be: 1500
test 139
        Start 139: test_tautomer_25
139: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "25"
139: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
139: Environment variables: 
139:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
139:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
139: Test timeout computed to be: 1500
test 140
        Start 140: test_tautomer_26
140: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "26"
140: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
140: Environment variables: 
140:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
140:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
140: Test timeout computed to be: 1500
test 141
        Start 141: test_tautomer_27
141: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "27"
141: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
141: Environment variables: 
141:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
141:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
141: Test timeout computed to be: 1500
test 142
        Start 142: test_tautomer_28
142: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tautomertest" "28"
142: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
142: Environment variables: 
142:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
142:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
142: Test timeout computed to be: 1500
test 143
        Start 143: test_tetrahedral_1
143: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "1"
143: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
143: Environment variables: 
143:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
143:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
143: Test timeout computed to be: 1500
test 144
        Start 144: test_tetrahedral_2
144: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "2"
144: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
144: Environment variables: 
144:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
144:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
144: Test timeout computed to be: 1500
test 145
        Start 145: test_tetrahedral_3
145: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "3"
145: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
145: Environment variables: 
145:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
145:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
145: Test timeout computed to be: 1500
test 146
        Start 146: test_tetrahedral_4
146: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "4"
146: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
146: Environment variables: 
146:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
146:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
146: Test timeout computed to be: 1500
test 147
        Start 147: test_tetrahedral_5
147: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "5"
147: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
147: Environment variables: 
147:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
147:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
147: Test timeout computed to be: 1500
test 148
        Start 148: test_tetranonplanar_1
148: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tetranonplanartest" "1"
148: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
148: Environment variables: 
148:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
148:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
148: Test timeout computed to be: 1500
test 149
        Start 149: test_tetraplanar_1
149: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "tetraplanartest" "1"
149: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
149: Environment variables: 
149:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
149:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
149: Test timeout computed to be: 1500
test 150
        Start 150: test_uniqueid_1
150: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "uniqueidtest" "1"
150: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
150: Environment variables: 
150:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
150:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
150: Test timeout computed to be: 1500
test 151
        Start 151: test_uniqueid_2
151: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "uniqueidtest" "2"
151: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
151: Environment variables: 
151:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
151:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
151: Test timeout computed to be: 1500
test 152
        Start 152: test_aromatest_1
152: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "aromatest" "1"
152: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
152: Environment variables: 
152:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
152:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
152: Test timeout computed to be: 1500
test 153
        Start 153: test_atom_1
153: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "atom" "1"
153: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
153: Environment variables: 
153:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
153:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
153: Test timeout computed to be: 1500
test 154
        Start 154: test_atom_2
154: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "atom" "2"
154: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
154: Environment variables: 
154:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
154:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
154: Test timeout computed to be: 1500
test 155
        Start 155: test_atom_3
155: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "atom" "3"
155: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
155: Environment variables: 
155:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
155:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
155: Test timeout computed to be: 1500
test 156
        Start 156: test_atom_4
156: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "atom" "4"
156: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
156: Environment variables: 
156:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
156:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
156: Test timeout computed to be: 1500
test 157
        Start 157: test_bond_1
157: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "bond" "1"
157: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
157: Environment variables: 
157:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
157:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
157: Test timeout computed to be: 1500
test 158
        Start 158: test_cansmi_1
158: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cansmi" "1"
158: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
158: Environment variables: 
158:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
158:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
158: Test timeout computed to be: 1500
test 159
        Start 159: test_charge_mmff94_1
159: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "charge_mmff94" "1"
159: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
159: Environment variables: 
159:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
159:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
159: Test timeout computed to be: 1500
test 160
        Start 160: test_charge_gasteiger_1
160: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "charge_gasteiger" "1"
160: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
160: Environment variables: 
160:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
160:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
160: Test timeout computed to be: 1500
test 161
        Start 161: test_datatest_1
161: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "datatest" "1"
161: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
161: Environment variables: 
161:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
161:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
161: Test timeout computed to be: 1500
test 162
        Start 162: test_ffgaff_1
162: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "ffgaff" "1"
162: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
162: Environment variables: 
162:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
162:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
162: Test timeout computed to be: 1500
test 163
        Start 163: test_ffghemical_1
163: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "ffghemical" "1"
163: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
163: Environment variables: 
163:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
163:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
163: Test timeout computed to be: 1500
test 164
        Start 164: test_ffmmff94_1
164: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "ffmmff94" "1"
164: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
164: Environment variables: 
164:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
164:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
164: Test timeout computed to be: 1500
test 165
        Start 165: test_ffmmff94_2
165: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "ffmmff94" "2"
165: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
165: Environment variables: 
165:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
165:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
165: Test timeout computed to be: 1500
test 166
        Start 166: test_ffmmff94_3
166: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "ffmmff94" "3"
166: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
166: Environment variables: 
166:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
166:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
166: Test timeout computed to be: 1500
test 167
        Start 167: test_ffmmff94_4
167: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "ffmmff94" "4"
167: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
167: Environment variables: 
167:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
167:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
167: Test timeout computed to be: 1500
test 168
        Start 168: test_ffmmff94_5
168: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "ffmmff94" "5"
168: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
168: Environment variables: 
168:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
168:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
168: Test timeout computed to be: 1500
test 169
        Start 169: test_ffmmff94_6
169: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "ffmmff94" "6"
169: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
169: Environment variables: 
169:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
169:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
169: Test timeout computed to be: 1500
test 170
        Start 170: test_ffuff_1
170: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "ffuff" "1"
170: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
170: Environment variables: 
170:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
170:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
170: Test timeout computed to be: 1500
test 171
        Start 171: test_formalcharge_1
171: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "formalcharge" "1"
171: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
171: Environment variables: 
171:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
171:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
171: Test timeout computed to be: 1500
test 172
        Start 172: test_format_1
172: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "format" "1"
172: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
172: Environment variables: 
172:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
172:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
172: Test timeout computed to be: 1500
test 173
        Start 173: test_formula_1
173: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "formula" "1"
173: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
173: Environment variables: 
173:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
173:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
173: Test timeout computed to be: 1500
test 174
        Start 174: test_internalcoord_1
174: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "internalcoord" "1"
174: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
174: Environment variables: 
174:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
174:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
174: Test timeout computed to be: 1500
15: /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
16: 126
16: 123
16: Ethanol
16: Dimethyl Ether
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ek1_ciu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ek2_cdu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ek8_dem.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1eko_i84.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1el4_ctz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ela_0z1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1elb_0z4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1elc_0z3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1eld_0z0.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1els_pah.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1enu_apz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1eoc_4nc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1eos_u2g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ep4_s11.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ep9_cp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1eqc_cts.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1equ_eqi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1erb_etr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1est_tsu.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1klm_spp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kmh_ttx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kmn_hso.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kms_lih.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kmv_lii.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1knu_ypa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kpe_adw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kpg_16a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kph_10a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kq0_med.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kqo_dnd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kqu_br4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kru_ipt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ksn_fxv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ksw_nbs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kvl_cls.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kvl_thn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kvo_oap.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kw1_lg6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kww_mfu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kwx_mfb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ky5_ady.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kyn_ktp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kyw_hfl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kyx_crm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kyy_ini.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kz8_pfe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kzn_cbn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l2j_etc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l2s_stc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l3l_lae.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4e_rbz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4f_150.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4g_ncn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4h_ind.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4k_34a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4l_xyd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4m_2ac.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4n_2af.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l5k_1rb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l5l_7rp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l5m_7ra.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l5m_nio.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l5o_2mp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l5r_mrd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l6f_pp3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l6g_pdd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l8g_dbd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l9w_dhs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lbt_t80.sdf
87: ==================== end doRoundtrip =========================
87:  True Shuffling: CCNc1ccc(cc1)/C(=C/1\C=C/C(=N)/C=C1)/c1ccc(N(CC)CC)c(C)c1
87: ref = CCNc1ccc(cc1)/C(=C/1\C=CC(=N)C=C1)/c1ccc(c(c1)C)N(CC)CC
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: C[C@H]1CCCCN1/C=C/1\C(=O)O[C@@](C)(CC)OC1=O
87: ref = CC[C@]1(C)OC(=O)/C(=C\N2CCCC[C@@H]2C)/C(=O)O1
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: N=C\1/C=C/C(=C(\c2ccc(N)cc2)/c2ccc(N)c(C)c2)/C=C1
87: ref = N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: N=C\1/C=C/C(=N\Cc2ccc(N)cc2)/C=C1
87: ref = N=C1C=C/C(=N/Cc2ccc(cc2)N)/C=C1
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: [O+]#C[Fe+]1234(C#[O+])(/C=C/CCC/C=C/[Fe+]5678(C#[O+])(C#[O+])[C@H]9C7=C6C5=C89)[C@H]5C3=C2C1=C45.F[B-](F)(F)F
87: ref = F[B-](F)(F)F.[O+]#C[Fe+]1234(C#[O+])(/C=C/CCC/C=C/[Fe+]5678(C#[O+])(C#[O+])C9C7=C6C5=C89)C5C3=C2C1=C45
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: [O+]#C[Fe+]1234(C#[O+])(/C=C/CCCC/C=C/[Fe+]5678(C#[O+])(C#[O+])C9=C6C7=C5[C@@H]89)C5=C3C2=C1[C@H]45.F[B-](F)(F)F
87: ref = F[B-](F)(F)F.[O+]#C[Fe+]1234(C#[O+])(/C=C/CCCC/C=C/[Fe+]5678(C#[O+])(C#[O+])C9C7=C6C5=C89)C5C3=C2C1=C45
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: c1[14cH]cccc1
87: ref = [14cH]1ccccc1
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: [14cH]1[14cH]cccc1
87: ref = [14cH]1[14cH]cccc1
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: [14cH]1[14cH]ccc[14cH]1
87: ref = [14cH]1[14cH]ccc[14cH]1
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: [14cH]1[14cH]cc[14cH][14cH]1
87: ref = [14cH]1[14cH][14cH]cc[14cH]1
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: [14cH]1[14cH]c[14cH][14cH][14cH]1
87: ref = [14cH]1[14cH][14cH]c[14cH][14cH]1
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: [14cH]1[14cH][14cH][14cH][14cH][14cH]1
87: ref = [14cH]1[14cH][14cH][14cH][14cH][14cH]1
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: stereo/error2.smi
87: ref = N#CC1[C@H]([C@@H]1C#N)C#N.N#CC1[C@H]([C@@H]1C#N)C#N
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ref = O=C(c1ccncn1)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ref = Clc1cc(nc(n1)Cl)O[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ref = OC(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]([C@H]1c1ccccc1)C(=O)O
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ref = OC(=O)[C@]12[C@@H]3CC[C@H]([C@]2(C(=O)O)[C@@H]2O[C@H]1CC2)O3
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ref = Nc1nc(S)nc(c1)C(=O)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ref = O1[C@@H]2[C@@H]1[C@@H]1O[C@H]1[C@H]1[C@H]([C@@H]3[C@H]2O3)O1
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ref = C1=C[C@H]2[C@@H]1[C@]1(N=N[C@]2(Cc2ccccc2)[C@@H]2[C@H]1C=C2)Cc1ccccc1
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ref = c1ccc2c(c1)O[Cu@]13[N+](=C2)CCC[O+]1[Cu@]12[O+]3CCC[N+]2=Cc2c(O1)cccc2
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ref = CN1C[C@@H]2CN(C[C@H](C1)[C@@]2(O)c1ccccc1)C
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ref = C1CCC2N(C1)[C@@H]1CCCCN1[C@@H]1N2CCCC1
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ref = CN1[C@@H]2CC(=O)C[C@H]1[C@H]1C[C@@H]2C1
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ref = CCCCCCCCCCCCCCCCCCSC[C@]12[C@H](COS(=O)(=O)O)[C@@H](COS(=O)(=O)O)[C@H](c3c1cccc3)c1c2cccc1.[NaH]
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==============================
87: *** Open Babel Warning  in ParseSmiles
87:   Failed to kekulize aromatic SMILES
87: 
87: ref = O=C(c1cc(ccc1O)S(=O)(=O)O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc(ccc1O)S(=O)(=O)O.CN1[CH]C=CC=C1.[NaH].Cl
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: F[Po@SP1](Cl)(Br)I
87: ref = F[Po@SP1](I)(Br)Cl
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: F[Po@SP2](Br)(Cl)I
87: ref = F[Po@SP1](I)(Br)Cl
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: F[Po@SP3](Cl)(I)Br
87: ref = F[Po@SP1](I)(Br)Cl
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.NCCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
88: ref = NCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.NCCCNCCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
88: ref = NCCCNCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.NCCCNCCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
88: ref = NCCCNCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.NCCCNCCCCNCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
88: ref = NCCCNCCCCNCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.NCCCNCCCCNCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
88: ref = NCCCNCCCCNCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.NCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
88: ref = NCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.NCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
88: ref = NCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: CC(=O)O.Oc1nc(N)c2nc3c(nc2n1)c1cccc2cccc3c12.OS(=O)(=O)O
88: ref = OS(=O)(=O)O.Oc1nc2nc3-c4cccc5c4c(-c3nc2c(n1)N)ccc5.CC(=O)O
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: C12=C3C4=C5[C@H]1[Fe]16782345C2=C6C7=C1C82
88: ref = C12C3=C4[Fe]5678923(C1=C45)C1C6=C8C9=C71
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: C12([C@@H]3CCC[C@@H]1CCC[C@@H]2CCC3)OC(=O)C
88: ref = CC(=O)OC12[C@@H]3CCC[C@@H]2CCC[C@H]1CCC3
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: [Fe]12345678(C9(C1=C4C3=C29)C=O)C1=C6C7=C5C81
88: ref = O=CC12C3=C4[Fe]5678923(C1=C45)C1C6=C8C9=C71
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: [Fe+2]12345678([C-]9(C1=C7C6=C29)CCCCNCCCCN)C1=C4C5=C3[C-]81.Br
88: ref = NCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: O[C@H]1CC[C@@H](O)CC1
88: ref = O[C@@H]1CC[C@@H](CC1)O
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: c1csc(c1)c1nnc(o1)C12C[C@@H]3C[C@@H](C[C@@H](C3)C2)C1
88: ref = c1csc(c1)c1nnc(o1)C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: CC(=O)OC12[C@@H]3CCC[C@@H]1CCC[C@@H]2CCC3
88: ref = CC(=O)OC12[C@@H]3CCC[C@@H]2CCC[C@H]1CCC3
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: CC(=O)OC12[C@@H]3CCC[C@@H]1CCC[C@@H]2CCC3
88: ref = CC(=O)OC12[C@@H]3CCC[C@@H]2CCC[C@H]1CCC3
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: C/C(=N/c1ccncc1)/C(=N/c1ccncc1)/C
88: ref = C/C(=N/c1ccncc1)/C(=N/c1ccncc1)/C
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: CC(=CCN[C@]12C[C@@H]3C[C@@H](C[C@@H](C3)C2)C1)C
88: ref = CC(=CCN[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)C
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Brc1ccc(nc1)NC(=S)N[C@]12C[C@@H]3C[C@H](C[C@@H](C3)C2)C1
88: ref = S=C(N[C@]12C[C@@H]3C[C@@H](C2)C[C@@H](C1)C3)Nc1ccc(cn1)Br
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: c1ccc2c(c1)[C@H]1[C@@H]3O[C@@H]3[C@@H]2c2ccccc12
88: ref = O1[C@@H]2[C@H]1[C@@H]1c3c([C@H]2c2c1cccc2)cccc3
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: C(C/N=C\c1ccccc1)/N=C/c1ccccc1
88: ref = N(=C\c1ccccc1)\CC/N=C/c1ccccc1
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: O=C(CCCC(=O)N/N=C(/C)\c1ccccc1)N/N=C(\C)/c1ccccc1
88: ref = O=C(N/N=C(\c1ccccc1)/C)CCCC(=O)N/N=C(/c1ccccc1)\C
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: C/C(=N/c1ccccc1)/C(=N/c1ccccc1)/C
88: ref = C/C(=N/c1ccccc1)/C(=N/c1ccccc1)/C
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: [C@@H]1([C@@H]([C@@H]([C@H]1C)C)C)C
89: ref = C[C@@H]1[C@H](C)[C@H]([C@H]1C)C
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/inositol_cis.mol
89: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@@H]([C@@H]1C)C)C
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/inositol_epi.mol
89: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@@H]([C@H]1C)C)C
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/inositol_allo.mol
89: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@H]([C@H]1C)C)C
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/inositol_myo.mol
89: ref = C[C@@H]1[C@H](C)[C@H](C)[C@H]([C@@H]([C@H]1C)C)C
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/inositol_muco.mol
89: ref = C[C@@H]1[C@H](C)[C@@H](C)[C@@H]([C@@H]([C@H]1C)C)C
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/inositol_neo.mol
89: ref = C[C@@H]1[C@H](C)[C@H](C)[C@H]([C@H]([C@H]1C)C)C
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/inositol_scyllo.mol
89: ref = C[C@@H]1[C@@H](C)[C@H](C)[C@H]([C@@H]([C@H]1C)C)C
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/inositol_chiroD.mol
89: ref = C[C@@H]1[C@H](C)[C@@H](C)[C@H]([C@@H]([C@H]1C)C)C
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/inositol_chiroL.mol
89: ref = C[C@@H]1[C@H](C)[C@@H](C)[C@@H]([C@H]([C@H]1C)C)C
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: O[C@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O
89: ref = O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@H]([C@H]1O)O)O
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
91: ref = C[C@@H]1CC[C@H](CC1)C1CC[C@H](CC1)C[C@H](C[C@@H]1CC[C@@H](CC1)[C@@H]1CC[C@H](CC1)C)C[C@@H]1CC[C@@H](CC1)[C@@H]1CC[C@@H](CC1)C	canon17
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon18.mol
91: ref = CC[C@@](C[C@@H]1C[C@H](C1)C)(C[C@@H]1C[C@@H](C1)C)C	canon18
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon19.mol
91: ref = CC[C@](C[C@@H]1CC[C@H](CC1)C)(C[C@@H]1CC[C@@H](CC1)C)C	canon19
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon19.mol
91: ref = CC[C@](C[C@@H]1CC[C@H](CC1)C)(C[C@@H]1CC[C@@H](CC1)C)C	canon19
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon20.mol
91: ref = C[C@H](C[C@](C[C@H](Cl)C)(C[C@@H](Cl)C)C[C@@H](O)C)O	canon20
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon21.mol
91: ref = O[C@H](C[C@](C[C@H](C[C@H](O)C)O)(C[C@@H](C[C@H](O)C)O)C[C@@H](C[C@@H](O)C)O)C[C@@H](O)C	canon21
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon22.mol
91: ref = C[C@@H]1[C@@H]([C@@H]1C)C	canon22
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon23.mol
91: ref = C[C@@H]1[C@H]([C@@H]1C)C	canon23
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon24.mol
91: ref = C[C@]12CCCC[C@@]2(C)CC2(C1)CCC2
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans1.mol
91: ref = C/C=C\C[C@H](C/C=C/C)C
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans2.mol
91: ref = C/C=C/C[C@H](C/C=C/C)C
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans3.mol
91: ref = C/C=C/1\CC/C(=C\C)/CC1
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans4.mol
91: ref = C/C=C/1\CC/C(=C/C)/CC1
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans5.mol
91: ref = C/C=C/1\CC[C@]2(CC1)CC/C(=C\C)/CC2
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans6.mol
91: ref = C/C=C/1\C/C(=C/O)/C/C(=C\O)/C1
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans7.mol
91: ref = C/C=C/1\C/C(=C\O)/C/C(=C\O)/C1
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans8.mol
91: ref = C/C=C/1\CC[C@H](CC1)[C@H]([C@@H]1CC/C(=C\C)/CC1)C
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans9.mol
91: ref = C/C=C/1\C(=C\C)\C1=C/C
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans15.mol
91: ref = C/C=C\C=C\C[C@@](C/C=C\C=C\C)(C/C=C\C=C/C)C/C=C/C=C/C
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans16.mol
91: ref = C/C=C(/[C@@H]1CC[C@H](CC1)C)\[C@@H]1CC[C@@H](CC1)C
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
 95/208 Test  #37: test_cifspacegroup_8 .............   Passed    0.31 sec
 96/208 Test  #41: test_cifspacegroup_12 ............   Passed    0.31 sec
111: N[C@H](F)O	
111: 
110: structure perception1
110: structure perception2
110: structure perception3
110: structure perception4
110: structure perception5
110: structure perception6
110: structure perception7
110: structure perception8
110: structure perception9
110: structure perception10
110: structure perception11
110: structure perception12
110: structure perception13
110: structure perception14
110: structure perception15
110: structure perception16
110: structure perception17
110: structure perception18
110: structure perception19
110: structure perception20
110: Razinger paper, fig. 1: structure a
110: Razinger paper, fig. 1: structure b
110: Razinger paper, fig. 1: structure c
110: Razinger paper, fig. 1: structure d
110: Razinger paper, fig. 1: structure e
110: Razinger paper, fig. 1: structure f
110: Razinger paper, fig. 1: structure g
110: Razinger paper, fig. 1: structure h
110: Razinger paper, fig. 1: structure i
110: Razinger paper, fig. 1: structure j
110: Razinger paper, fig. 1: structure k
110: Razinger paper, fig. 1: structure l
110: Razinger paper, fig. 1: structure m
110: Razinger paper, fig. 1: structure n
110: Razinger paper, fig. 1: structure o
110: Razinger paper, fig. 1: structure p
113: F[C@@](I)(Br)Cl	
113: 
113: F[C@H](Br)Cl	
113: 
113: FC(Br)Cl	
113: 
113: FC(Br)Cl	
113: 
112: F/C=C/F	
112: 
144: ==============================
144: *** Open Babel Error  in SetConfig
144:   OBTetrahedralStereo::SetConfig : center atom id is invalid.
144: ==============================
144: *** Open Babel Error  in SetConfig
144:   OBTetrahedralStereo::SetConfig : from/towards atom id is invalid.
144: ==============================
144: *** Open Babel Error  in SetConfig
144:   OBTetrahedralStereo::SetConfig : found 0 reference ids, should be 3.
147: ==============================
147: *** Open Babel Error  in ToConfig
147:   OBTetraNonPlanarStereo::ToConfig : Invalid from in ConfigType struct.
152: 
152: # Testing aromaticity perception...  
152: ok 1
152: ok 2
152: ok 3
152: ok 4
152: ok 5
152: ok 6
152: ok 7
152: ok 8
152: ok 9
152: ok 10
152: ok 11
152: ok 12
152: ok 13
152: ok 14
152: ok 15
152: ok 16
152: ok 17
152: ok 18
152: ok 19
152: ok 20
152: ok 21
152: ok 22
152: ok 23
152: ok 24
152: ok 25
152: ok 26
152: ok 27
152: ok 28
152: ok 29
152: ok 30
152: ok 31
152: ok 32
152: ok 33
152: ok 34
152: ok 35
152: ok 36
152: ok 37
152: ok 38
152: ok 39
152: ok 40
152: ok 41
152: ok 42
152: ok 43
152: ok 44
152: ok 45
152: ok 46
152: ok 47
152: ok 48
152: ok 49
152: ok 50
152: ok 51
152: ok 52
152: ok 53
152: ok 54
152: ok 55
152: ok 56
152: ok 57
152: ok 58
152: ok 59
152: ok 60
152: ok 61
152: ok 62
152: ok 63
152: ok 64
152: ok 65
152: ok 66
152: ok 67
152: ok 68
152: ok 69
152: ok 70
152: ok 71
152: ok 72
152: ok 73
152: ok 74
152: ok 75
152: ok 76
152: ok 77
152: ok 78
152: ok 79
152: ok 80
152: ok 81
152: ok 82
152: ok 83
152: ok 84
152: ok 85
152: ok 86
152: ok 87
152: ok 88
152: ok 89
152: ok 90
152: ok 91
152: ok 92
152: ok 93
152: ok 94
152: ok 95
152: ok 96
152: ok 97
152: ok 98
152: ok 99
152: ok 100
152: ok 101
152: ok 102
152: ok 103
152: ok 104
152: ok 105
152: ok 106
152: ok 107
152: ok 108
152: ok 109
152: ok 110
152: ok 111
152: ok 112
152: ok 113
152: ok 114
152: ok 115
152: ok 116
152: ok 117
152: ok 118
152: ok 119
152: ok 120
152: ok 121
152: ok 122
152: ok 123
152: ok 124
152: ok 125
152: ok 126
152: ok 127
152: ok 128
152: ok 129
152: ok 130
152: ok 131
152: ok 132
152: ok 133
152: ok 134
152: ok 135
152: ok 136
152: ok 137
152: ok 138
152: ok 139
152: ok 140
152: ok 141
152: ok 142
152: ok 143
152: ok 144
152: ok 145
152: ok 146
152: ok 147
152: ok 148
152: ok 149
152: ok 150
152: ok 151
152: ok 152
152: ok 153
152: ok 154
152: ok 155
152: ok 156
152: ok 157
152: ok 158
152: ok 159
152: ok 160
152: ok 161
152: ok 162
152: ok 163
152: ok 164
152: ok 165
152: ok 166
152: ok 167
152: ok 168
152: ok 169
152: ok 170
152: ok 171
152: ok 172
152: ok 173
152: ok 174
152: ok 175
152: ok 176
152: ok 177
152: ok 178
152: ok 179
152: ok 180
152: ok 181
152: ok 182
152: ok 183
152: ok 184
152: ok 185
152: ok 186
152: ok 187
152: ok 188
152: ok 189
152: ok 190
152: ok 191
152: ok 192
152: ok 193
152: ok 194
152: ok 195
152: ok 196
152: ok 197
152: ok 198
152: ok 199
152: ok 200
152: ok 201
152: ok 202
152: ok 203
152: ok 204
152: ok 205
152: ok 206
152: ok 207
152: ok 208
152: ok 209
152: ok 210
152: ok 211
152: ok 212
152: ok 213
152: ok 214
152: ok 215
152: ok 216
152: ok 217
152: ok 218
152: ok 219
152: ok 220
152: ok 221
152: ok 222
152: ok 223
152: ok 224
152: ok 225
152: ok 226
152: ok 227
152: ok 228
152: ok 229
152: ok 230
152: ok 231
152: ok 232
152: ok 233
152: ok 234
152: ok 235
152: ok 236
152: ok 237
152: ok 238
152: ok 239
152: ok 240
152: ok 241
152: ok 242
152: ok 243
152: ok 244
152: ok 245
152: ok 246
152: ok 247
152: ok 248
152: ok 249
152: ok 250
152: ok 251
152: ok 252
152: ok 253
152: ok 254
152: ok 255
152: ok 256
152: ok 257
152: ok 258
152: ok 259
152: ok 260
152: ok 261
152: ok 262
152: ok 263
152: ok 264
152: ok 265
152: ok 266
152: ok 267
152: ok 268
152: ok 269
152: ok 270
152: ok 271
152: ok 272
152: ok 273
152: ok 274
152: ok 275
152: ok 276
152: ok 277
152: ok 278
152: ok 279
152: ok 280
152: ok 281
152: ok 282
152: ok 283
152: ok 284
152: ok 285
152: ok 286
152: ok 287
152: ok 288
152: ok 289
152: ok 290
152: ok 291
152: ok 292
152: ok 293
152: ok 294
152: ok 295
152: ok 296
152: ok 297
152: ok 298
152: ok 299
152: ok 300
152: ok 301
152: ok 302
152: ok 303
152: ok 304
152: ok 305
152: ok 306
152: ok 307
152: ok 308
152: ok 309
152: ok 310
152: ok 311
152: ok 312
152: ok 313
152: ok 314
152: ok 315
152: ok 316
152: ok 317
152: ok 318
152: ok 319
152: ok 320
152: ok 321
152: ok 322
152: ok 323
152: ok 324
152: ok 325
152: ok 326
152: ok 327
152: ok 328
152: ok 329
152: ok 330
152: ok 331
152: ok 332
152: ok 333
152: ok 334
152: ok 335
152: ok 336
152: ok 337
152: ok 338
152: ok 339
152: ok 340
152: ok 341
152: ok 342
152: ok 343
152: ok 344
152: ok 345
152: ok 346
152: ok 347
152: ok 348
152: ok 349
152: ok 350
152: ok 351
152: ok 352
152: ok 353
152: ok 354
152: ok 355
152: ok 356
152: ok 357
152: ok 358
152: ok 359
152: ok 360
152: ok 361
152: ok 362
152: ok 363
152: ok 364
152: ok 365
152: ok 366
152: ok 367
152: ok 368
152: ok 369
152: ok 370
152: ok 371
152: ok 372
152: ok 373
152: ok 374
152: ok 375
152: ok 376
152: ok 377
152: ok 378
152: ok 379
152: ok 380
152: ok 381
152: ok 382
152: ok 383
152: ok 384
152: ok 385
152: ok 386
152: ok 387
152: ok 388
152: ok 389
152: ok 390
152: ok 391
152: ok 392
152: ok 393
152: ok 394
152: ok 395
152: ok 396
152: ok 397
152: ok 398
152: ok 399
152: ok 400
152: ok 401
152: ok 402
152: ok 403
152: ok 404
152: ok 405
152: ok 406
152: ok 407
152: ok 408
152: ok 409
152: ok 410
152: ok 411
152: ok 412
152: ok 413
152: ok 414
152: ok 415
152: ok 416
152: ok 417
152: ok 418
152: ok 419
152: ok 420
152: ok 421
152: ok 422
152: ok 423
152: ok 424
152: ok 425
152: ok 426
152: ok 427
152: ok 428
152: ok 429
152: ok 430
152: ok 431
152: ok 432
152: ok 433
152: ok 434
152: ok 435
152: ok 436
152: ok 437
152: ok 438
152: ok 439
152: ok 440
152: ok 441
152: ok 442
152: ok 443
152: ok 444
152: ok 445
152: ok 446
152: ok 447
152: ok 448
152: ok 449
152: ok 450
152: ok 451
152: ok 452
152: ok 453
152: ok 454
152: ok 455
152: ok 456
152: ok 457
152: ok 458
152: ok 459
152: ok 460
152: ok 461
152: ok 462
152: ok 463
152: ok 464
152: ok 465
152: ok 466
152: ok 467
152: ok 468
152: ok 469
152: ok 470
152: ok 471
152: ok 472
152: ok 473
152: ok 474
152: ok 475
152: ok 476
152: ok 477
152: ok 478
152: ok 479
152: ok 480
152: ok 481
152: ok 482
152: ok 483
152: ok 484
152: ok 485
152: ok 486
152: ok 487
152: ok 488
152: ok 489
152: ok 490
152: ok 491
152: ok 492
152: ok 493
152: ok 494
152: ok 495
152: ok 496
152: ok 497
152: ok 498
152: ok 499
152: ok 500
152: ok 501
152: ok 502
152: ok 503
152: ok 504
152: ok 505
152: ok 506
152: ok 507
152: ok 508
152: ok 509
152: ok 510
152: ok 511
152: ok 512
152: ok 513
152: ok 514
152: ok 515
152: ok 516
152: ok 517
152: ok 518
152: ok 519
152: ok 520
152: ok 521
152: ok 522
152: ok 523
152: ok 524
152: ok 525
152: ok 526
152: ok 527
152: ok 528
152: ok 529
152: ok 530
152: ok 531
152: ok 532
152: ok 533
152: ok 534
152: ok 535
152: ok 536
152: ok 537
152: ok 538
152: ok 539
152: ok 540
152: ok 541
152: ok 542
152: ok 543
152: ok 544
152: ok 545
152: ok 546
152: ok 547
152: ok 548
152: ok 549
152: ok 550
152: ok 551
152: ok 552
152: ok 553
152: ok 554
152: ok 555
152: ok 556
152: ok 557
152: ok 558
152: ok 559
152: ok 560
152: ok 561
152: ok 562
152: ok 563
152: ok 564
152: ok 565
152: ok 566
152: ok 567
152: ok 568
152: ok 569
152: ok 570
152: ok 571
152: ok 572
152: ok 573
152: ok 574
152: ok 575
152: ok 576
152: ok 577
152: ok 578
152: ok 579
152: ok 580
152: ok 581
152: ok 582
152: ok 583
152: ok 584
152: ok 585
152: ok 586
152: ok 587
152: ok 588
152: ok 589
152: ok 590
152: ok 591
152: ok 592
152: ok 593
152: ok 594
152: ok 595
152: ok 596
152: ok 597
152: ok 598
152: ok 599
152: ok 600
152: ok 601
152: ok 602
152: ok 603
152: ok 604
152: ok 605
152: ok 606
152: ok 607
152: ok 608
152: ok 609
152: ok 610
152: ok 611
152: ok 612
152: ok 613
152: ok 614
152: ok 615
152: ok 616
152: ok 617
152: ok 618
152: ok 619
152: ok 620
152: ok 621
152: ok 622
152: ok 623
152: ok 624
152: ok 625
152: ok 626
152: ok 627
152: ok 628
152: ok 629
152: ok 630
152: ok 631
152: ok 632
152: ok 633
152: ok 634
152: ok 635
152: ok 636
152: ok 637
152: ok 638
152: ok 639
152: ok 640
152: ok 641
152: ok 642
152: ok 643
152: ok 644
152: ok 645
152: ok 646
152: ok 647
152: ok 648
152: ok 649
152: ok 650
152: ok 651
152: ok 652
152: ok 653
152: ok 654
152: ok 655
152: ok 656
152: ok 657
152: ok 658
152: ok 659
152: ok 660
152: ok 661
152: ok 662
152: ok 663
152: ok 664
152: ok 665
152: ok 666
152: ok 667
152: ok 668
152: ok 669
152: ok 670
152: ok 671
152: ok 672
152: ok 673
152: ok 674
152: ok 675
152: ok 676
152: ok 677
152: ok 678
152: ok 679
152: ok 680
152: ok 681
152: ok 682
152: ok 683
152: ok 684
152: ok 685
152: ok 686
152: ok 687
152: ok 688
152: ok 689
152: ok 690
152: ok 691
152: ok 692
152: ok 693
152: ok 694
152: ok 695
152: ok 696
152: ok 697
152: ok 698
152: ok 699
152: ok 700
152: ok 701
152: ok 702
152: ok 703
152: ok 704
152: ok 705
152: ok 706
152: ok 707
152: ok 708
152: ok 709
152: ok 710
153: # Unit tests for OBAtom 
154: # Unit tests for OBAtom 
154: 0
154: 4294967295
154: ok 3
155: # Unit tests for OBAtom 
155: 0
155: 255
155: 200
155: 44
155: ok 4
156: # Unit tests for OBAtom 
156: ok 5
156: ok 6
157: # Unit tests for OBBond 
157: ok 3
158: 
158: # Testing Canonical SMILES Generation ...  
158: ok 1 # number of heavy atoms match
158: ok 2 # number of heavy atoms match
158: ok 3 # number of heavy atoms match
158: ok 4 # number of heavy atoms match
158: ok 5 # number of heavy atoms match
158: ok 6 # number of heavy atoms match
158: ok 7 # number of heavy atoms match
158: ok 8 # number of heavy atoms match
158: ok 9 # number of heavy atoms match
158: ok 10 # number of heavy atoms match
158: ok 11 # number of heavy atoms match
158: ok 12 # number of heavy atoms match
158: ok 13 # number of heavy atoms match
158: ok 14 # number of heavy atoms match
158: ok 15 # number of heavy atoms match
158: ok 16 # number of heavy atoms match
158: ok 17 # number of heavy atoms match
158: ok 18 # number of heavy atoms match
158: ok 19 # number of heavy atoms match
158: ok 20 # number of heavy atoms match
158: ok 21 # number of heavy atoms match
158: ok 22 # number of heavy atoms match
158: ok 23 # number of heavy atoms match
158: ok 24 # number of heavy atoms match
158: ok 25 # number of heavy atoms match
158: ok 26 # number of heavy atoms match
158: ok 27 # number of heavy atoms match
158: ok 28 # number of heavy atoms match
158: ok 29 # number of heavy atoms match
158: ok 30 # number of heavy atoms match
158: ok 31 # number of heavy atoms match
158: ok 32 # number of heavy atoms match
158: ok 33 # number of heavy atoms match
158: ok 34 # number of heavy atoms match
158: ok 35 # number of heavy atoms match
158: ok 36 # number of heavy atoms match
158: ok 37 # number of heavy atoms match
158: ok 38 # number of heavy atoms match
158: ok 39 # number of heavy atoms match
158: ok 40 # number of heavy atoms match
158: ok 41 # number of heavy atoms match
158: ok 42 # number of heavy atoms match
158: ok 43 # number of heavy atoms match
158: ok 44 # number of heavy atoms match
158: ok 45 # number of heavy atoms match
158: ok 46 # number of heavy atoms match
158: ok 47 # number of heavy atoms match
158: ok 48 # number of heavy atoms match
158: ok 49 # number of heavy atoms match
158: ok 50 # number of heavy atoms match
158: ok 51 # number of heavy atoms match
158: ok 52 # number of heavy atoms match
158: ok 53 # number of heavy atoms match
158: ok 54 # number of heavy atoms match
158: ok 55 # number of heavy atoms match
158: ok 56 # number of heavy atoms match
158: ok 57 # number of heavy atoms match
158: ok 58 # number of heavy atoms match
158: ok 59 # number of heavy atoms match
158: ok 60 # number of heavy atoms match
158: ok 61 # number of heavy atoms match
158: ok 62 # number of heavy atoms match
158: ok 63 # number of heavy atoms match
158: ok 64 # number of heavy atoms match
158: ok 65 # number of heavy atoms match
158: ok 66 # number of heavy atoms match
158: ok 67 # number of heavy atoms match
158: ok 68 # number of heavy atoms match
158: ok 69 # number of heavy atoms match
158: ok 70 # number of heavy atoms match
158: ok 71 # number of heavy atoms match
158: ok 72 # number of heavy atoms match
158: ok 73 # number of heavy atoms match
158: ok 74 # number of heavy atoms match
158: ok 75 # number of heavy atoms match
158: ok 76 # number of heavy atoms match
158: ok 77 # number of heavy atoms match
158: ok 78 # number of heavy atoms match
158: ok 79 # number of heavy atoms match
158: ok 80 # number of heavy atoms match
158: ok 81 # number of heavy atoms match
158: ok 82 # number of heavy atoms match
158: ok 83 # number of heavy atoms match
158: ok 84 # number of heavy atoms match
158: ok 85 # number of heavy atoms match
158: ok 86 # number of heavy atoms match
158: ok 87 # number of heavy atoms match
158: ok 88 # number of heavy atoms match
158: ok 89 # number of heavy atoms match
158: ok 90 # number of heavy atoms match
158: ok 91 # number of heavy atoms match
158: ok 92 # number of heavy atoms match
158: ok 93 # number of heavy atoms match
158: ok 94 # number of heavy atoms match
158: ok 95 # number of heavy atoms match
158: ok 96 # number of heavy atoms match
158: ok 97 # number of heavy atoms match
158: ok 98 # number of heavy atoms match
158: ok 99 # number of heavy atoms match
158: ok 100 # number of heavy atoms match
158: ok 101 # number of heavy atoms match
158: ok 102 # number of heavy atoms match
158: ok 103 # number of heavy atoms match
158: ok 104 # number of heavy atoms match
158: ok 105 # number of heavy atoms match
158: ok 106 # number of heavy atoms match
158: ok 107 # number of heavy atoms match
158: ok 108 # number of heavy atoms match
158: ok 109 # number of heavy atoms match
158: ok 110 # number of heavy atoms match
158: ok 111 # number of heavy atoms match
158: ok 112 # number of heavy atoms match
158: ok 113 # number of heavy atoms match
158: ok 114 # number of heavy atoms match
158: ok 115 # number of heavy atoms match
158: ok 116 # number of heavy atoms match
158: ok 117 # number of heavy atoms match
158: ok 118 # number of heavy atoms match
158: ok 119 # number of heavy atoms match
158: ok 120 # number of heavy atoms match
158: ok 121 # number of heavy atoms match
158: ok 122 # number of heavy atoms match
158: ok 123 # number of heavy atoms match
158: ok 124 # number of heavy atoms match
158: ok 125 # number of heavy atoms match
158: ok 126 # number of heavy atoms match
158: ok 127 # number of heavy atoms match
158: ok 128 # number of heavy atoms match
158: ok 129 # number of heavy atoms match
158: ok 130 # number of heavy atoms match
158: ok 131 # number of heavy atoms match
158: ok 132 # number of heavy atoms match
158: ok 133 # number of heavy atoms match
158: ok 134 # number of heavy atoms match
158: ok 135 # number of heavy atoms match
158: ok 136 # number of heavy atoms match
158: ok 137 # number of heavy atoms match
158: ok 138 # number of heavy atoms match
158: ok 139 # number of heavy atoms match
158: ok 140 # number of heavy atoms match
158: ok 141 # number of heavy atoms match
158: ok 142 # number of heavy atoms match
158: ok 143 # number of heavy atoms match
158: ok 144 # number of heavy atoms match
158: ok 145 # number of heavy atoms match
158: ok 146 # number of heavy atoms match
158: ok 147 # number of heavy atoms match
158: ok 148 # number of heavy atoms match
158: ok 149 # number of heavy atoms match
158: ok 150 # number of heavy atoms match
158: ok 151 # number of heavy atoms match
158: ok 152 # number of heavy atoms match
158: ok 153 # number of heavy atoms match
158: ok 154 # number of heavy atoms match
158: ok 155 # number of heavy atoms match
158: ok 156 # number of heavy atoms match
158: ok 157 # number of heavy atoms match
158: ok 158 # number of heavy atoms match
158: ok 159 # number of heavy atoms match
158: ok 160 # number of heavy atoms match
158: ok 161 # number of heavy atoms match
158: ok 162 # number of heavy atoms match
158: ok 163 # number of heavy atoms match
158: ok 164 # number of heavy atoms match
158: ok 165 # number of heavy atoms match
158: ok 166 # number of heavy atoms match
158: ok 167 # number of heavy atoms match
158: ok 168 # number of heavy atoms match
158: ok 169 # number of heavy atoms match
158: ok 170 # number of heavy atoms match
158: ok 171 # number of heavy atoms match
158: ok 172 # number of heavy atoms match
158: ok 173 # number of heavy atoms match
158: ok 174 # number of heavy atoms match
158: ok 175 # number of heavy atoms match
158: ok 176 # number of heavy atoms match
158: ok 177 # number of heavy atoms match
158: ok 178 # number of heavy atoms match
158: ok 179 # number of heavy atoms match
158: ok 180 # number of heavy atoms match
158: ok 181 # number of heavy atoms match
158: ok 182 # number of heavy atoms match
158: ok 183 # number of heavy atoms match
158: ok 184 # number of heavy atoms match
158: ok 185 # number of heavy atoms match
158: ok 186 # number of heavy atoms match
158: ok 187 # number of heavy atoms match
158: ok 188 # number of heavy atoms match
158: ok 189 # number of heavy atoms match
158: ok 190 # number of heavy atoms match
158: ok 191 # number of heavy atoms match
158: ok 192 # number of heavy atoms match
158: ok 193 # number of heavy atoms match
158: ok 194 # number of heavy atoms match
158: ok 195 # number of heavy atoms match
158: ok 196 # number of heavy atoms match
158: ok 197 # number of heavy atoms match
158: ok 198 # number of heavy atoms match
158: ok 199 # number of heavy atoms match
158: ok 200 # number of heavy atoms match
158: ok 201 # number of heavy atoms match
158: ok 202 # number of heavy atoms match
158: ok 203 # number of heavy atoms match
158: ok 204 # number of heavy atoms match
158: ok 205 # number of heavy atoms match
158: ok 206 # number of heavy atoms match
158: ok 207 # number of heavy atoms match
158: ok 208 # number of heavy atoms match
158: ok 209 # number of heavy atoms match
158: ok 210 # number of heavy atoms match
158: ok 211 # number of heavy atoms match
158: ok 212 # number of heavy atoms match
158: ok 213 # number of heavy atoms match
158: ok 214 # number of heavy atoms match
158: ok 215 # number of heavy atoms match
158: ok 216 # number of heavy atoms match
158: ok 217 # number of heavy atoms match
158: ok 218 # number of heavy atoms match
158: ok 219 # number of heavy atoms match
158: ok 220 # number of heavy atoms match
158: ok 221 # number of heavy atoms match
158: ok 222 # number of heavy atoms match
158: ok 223 # number of heavy atoms match
159: # Testing MMFF94 Charge Model...
160: # Testing GASTEIGER Charge Model...
161: # Unit tests for data tables 
161: 1..2
161: ok 1
161: ok 2
162: # Testing GAFF Force Field...
162: ok 1 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (102.152, -13.405,  11.295)  (102.186, -13.368,  11.304)  ( 0.03,  0.27,  0.08)
162:     bond    ( 65.430,  20.212,  18.860)  ( 65.454,  20.239,  18.862)  ( 0.04,  0.13,  0.01)
162:     angle   ( 64.222, -43.610,   6.621)  ( 64.231, -43.601,   6.623)  ( 0.01,  0.02,  0.03)
162:     torsion (  2.285,   1.864,  -9.889)  (  2.285,   1.864,  -9.885)  ( 0.01,  0.01,  0.04)
162:     oop     (  0.189,   0.204,  -0.875)  (  0.189,   0.204,  -0.875)  ( 0.00,  0.00,  0.04)
162:     vdw     (-29.752,   8.101,  -3.444)  (-29.752,   8.101,  -3.444)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.221,  -0.175,   0.022)  ( -0.221,  -0.175,   0.022)  ( 0.00,  0.00,  0.00)
162:  2       (-25.215,  10.780,  89.099)  (-25.178,  10.817,  89.109)  ( 0.15,  0.34,  0.01)
162:     bond    ( 34.767, -49.738,   0.175)  ( 34.796, -49.714,   0.179)  ( 0.08,  0.05,  0.05)
162:     angle   (-51.090,  50.603,  44.964)  (-51.083,  50.614,  44.966)  ( 0.02,  0.02,  0.00)
162:     torsion ( -1.548,  -4.298,  27.297)  ( -1.548,  -4.297,  27.301)  ( 0.01,  0.00,  0.02)
162:     oop     ( -0.242,  -0.222,   0.947)  ( -0.242,  -0.222,   0.947)  ( 0.00,  0.00,  0.01)
162:     vdw     ( -7.740,  18.047,  15.318)  ( -7.740,  18.048,  15.318)  ( 0.00,  0.01,  0.00)
162:     electro (  0.639,  -3.612,   0.399)  (  0.639,  -3.612,   0.399)  ( 0.00,  0.00,  0.00)
162:  3       (-83.042, -36.318, -41.768)  (-83.007, -36.282, -41.759)  ( 0.04,  0.10,  0.02)
162:     bond    (-76.007, -41.054, -29.725)  (-75.982, -41.028, -29.723)  ( 0.03,  0.07,  0.01)
162:     angle   (-38.446, -15.726,  -3.780)  (-38.436, -15.717,  -3.778)  ( 0.02,  0.06,  0.06)
162:     torsion (  5.065,   4.006, -19.830)  (  5.065,   4.006, -19.826)  ( 0.01,  0.00,  0.02)
162:     oop     (  0.501,   0.462,  -1.986)  (  0.501,   0.462,  -1.986)  ( 0.00,  0.00,  0.02)
162:     vdw     ( 25.385,  16.189,  13.419)  ( 25.385,  16.190,  13.419)  ( 0.00,  0.00,  0.00)
162:     electro (  0.460,  -0.195,   0.134)  (  0.460,  -0.195,   0.134)  ( 0.00,  0.00,  0.00)
162:  4       (-42.844, -11.172, -19.259)  (-42.811, -11.135, -19.250)  ( 0.08,  0.33,  0.05)
162:     bond    (-90.014,  22.518, -18.593)  (-89.992,  22.547, -18.589)  ( 0.02,  0.13,  0.02)
162:     angle   ( 16.795, -23.416,  -0.140)  ( 16.805, -23.409,  -0.139)  ( 0.06,  0.03,  0.02)
162:     torsion (  2.668,   4.258,  -3.869)  (  2.669,   4.258,  -3.865)  ( 0.01,  0.01,  0.10)
162:     oop     ( -0.169,  -0.157,   0.678)  ( -0.169,  -0.157,   0.678)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 26.874, -14.207,   2.581)  ( 26.875, -14.207,   2.581)  ( 0.00,  0.00,  0.00)
162:     electro (  1.002,  -0.167,   0.084)  (  1.002,  -0.167,   0.084)  ( 0.00,  0.00,  0.00)
162:  5       ( -1.994,  38.051,  22.985)  ( -1.964,  38.071,  22.992)  ( 1.50,  0.05,  0.03)
162:     bond    ( 11.228,  60.887,  19.043)  ( 11.255,  60.898,  19.046)  ( 0.25,  0.02,  0.02)
162:     angle   ( -4.676,   9.306,   0.092)  ( -4.674,   9.314,   0.093)  ( 0.04,  0.09,  0.00)
162:     torsion ( -3.291,  -3.459,  13.086)  ( -3.290,  -3.459,  13.089)  ( 0.01,  0.01,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -5.357, -25.900,  -8.663)  ( -5.357, -25.899,  -8.663)  ( 0.01,  0.00,  0.00)
162:     electro (  0.102,  -2.783,  -0.572)  (  0.102,  -2.783,  -0.572)  ( 0.00,  0.00,  0.00)
162:  6       ( -4.575, -67.943, -17.081)  ( -4.541, -67.907, -17.072)  ( 0.76,  0.05,  0.05)
162:     bond    ( 45.081, -31.332,   3.011)  ( 45.106, -31.304,   3.013)  ( 0.05,  0.09,  0.08)
162:     angle   (-31.327, -14.947,  -9.606)  (-31.318, -14.939,  -9.605)  ( 0.03,  0.05,  0.01)
162:     torsion (  0.284,   0.309,  -0.353)  (  0.285,   0.309,  -0.348)  ( 0.01,  0.01,  0.17)
162:     oop     ( -0.064,  -0.069,   0.294)  ( -0.064,  -0.069,   0.294)  ( 0.00,  0.00,  0.00)
162:     vdw     (-18.405, -22.065, -10.583)  (-18.404, -22.064, -10.583)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.145,   0.160,   0.156)  ( -0.145,   0.160,   0.156)  ( 0.00,  0.00,  0.00)
162:  7       ( 36.833, -39.537,  19.970)  ( 36.859, -39.512,  19.992)  ( 0.07,  0.06,  0.11)
162:     bond    ( 32.571, -25.330,  -0.204)  ( 32.588, -25.312,  -0.188)  ( 0.05,  0.07,  0.33)
162:     angle   (  4.414,  -0.479,  25.826)  (  4.421,  -0.472,  25.832)  ( 0.18,  0.32,  0.02)
162:     torsion (  0.416,   2.210,  -1.047)  (  0.417,   2.211,  -1.046)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.704, -15.258,  -4.685)  ( -0.704, -15.258,  -4.685)  ( 0.00,  0.00,  0.00)
162:     electro (  0.137,  -0.680,   0.080)  (  0.137,  -0.680,   0.080)  ( 0.00,  0.00,  0.00)
162:  8       ( 21.971, -40.328, -61.277)  ( 21.978, -40.307, -61.265)  ( 0.03,  0.05,  0.02)
162:     bond    ( -5.929, -10.019,  18.365)  ( -5.928, -10.000,  18.373)  ( 0.02,  0.19,  0.05)
162:     angle   ( 46.107, -45.206, -72.265)  ( 46.112, -45.204, -72.261)  ( 0.01,  0.00,  0.00)
162:     torsion ( -8.013,  -0.359,  -6.006)  ( -8.014,  -0.359,  -6.005)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -8.589,  14.436,  -2.931)  ( -8.588,  14.436,  -2.931)  ( 0.01,  0.00,  0.00)
162:     electro ( -1.604,   0.820,   1.559)  ( -1.604,   0.820,   1.559)  ( 0.00,  0.00,  0.00)
162:  9       ( -8.675, 118.199, -17.422)  ( -8.650, 118.226, -17.396)  ( 0.29,  0.02,  0.15)
162:     bond    (  8.295,  10.899, -26.302)  (  8.313,  10.916, -26.283)  ( 0.22,  0.16,  0.07)
162:     angle   (-17.304,  94.705,  14.018)  (-17.297,  94.714,  14.026)  ( 0.04,  0.01,  0.06)
162:     torsion (  3.994,  -0.046,   1.165)  (  3.994,  -0.046,   1.165)  ( 0.01,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.911,  12.378,  -5.954)  ( -3.910,  12.379,  -5.954)  ( 0.00,  0.00,  0.00)
162:     electro (  0.250,   0.263,  -0.349)  (  0.250,   0.263,  -0.349)  ( 0.00,  0.00,  0.00)
162: 10       ( 58.847,  35.904,  35.967)  ( 58.875,  35.931,  35.993)  ( 0.05,  0.08,  0.07)
162:     bond    ( 21.967,  25.002,   8.944)  ( 21.986,  25.020,   8.963)  ( 0.08,  0.07,  0.21)
162:     angle   ( 24.422,   6.592,  14.649)  ( 24.431,   6.601,  14.655)  ( 0.03,  0.13,  0.04)
162:     torsion ( -1.003,  -0.914,   4.217)  ( -1.003,  -0.914,   4.217)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.150,  -0.150,   0.657)  ( -0.150,  -0.150,   0.657)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.392,   5.370,   7.463)  ( 13.393,   5.371,   7.463)  ( 0.00,  0.01,  0.00)
162:     electro (  0.218,   0.004,   0.037)  (  0.218,   0.004,   0.037)  ( 0.00,  0.00,  0.00)
162: 11       (-73.816,  15.491,  -8.358)  (-73.788,  15.518,  -8.332)  ( 0.04,  0.18,  0.31)
162:     bond    (-49.401,  16.876,  -5.239)  (-49.382,  16.894,  -5.220)  ( 0.04,  0.11,  0.36)
162:     angle   (-11.770,   5.854,   2.961)  (-11.762,   5.863,   2.968)  ( 0.07,  0.15,  0.22)
162:     torsion (  0.420,   0.413,  -1.922)  (  0.420,   0.413,  -1.921)  ( 0.00,  0.00,  0.04)
162:     oop     ( -0.065,  -0.067,   0.286)  ( -0.065,  -0.067,   0.286)  ( 0.00,  0.00,  0.00)
162:     vdw     (-12.585,  -7.315,  -3.895)  (-12.585,  -7.314,  -3.895)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.415,  -0.270,  -0.549)  ( -0.415,  -0.270,  -0.549)  ( 0.00,  0.00,  0.00)
162: 12       (-206.624, -89.261,  -8.571)  (-206.581, -89.223,  -8.564)  ( 0.02,  0.04,  0.08)
162:     bond    (-70.340,  34.087, -12.502)  (-70.305,  34.112, -12.501)  ( 0.05,  0.07,  0.01)
162:     angle   (-122.367, -156.953,   9.517)  (-122.358, -156.940,   9.516)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.121,   0.153,   0.978)  ( -0.121,   0.154,   0.984)  ( 0.00,  0.00,  0.58)
162:     oop     (  0.003,  -0.005,  -0.029)  (  0.003,  -0.005,  -0.029)  ( 0.00,  0.00,  0.00)
162:     vdw     (-13.551,  32.310,  -6.205)  (-13.551,  32.310,  -6.205)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.249,   1.146,  -0.329)  ( -0.249,   1.146,  -0.329)  ( 0.00,  0.00,  0.00)
162: 13       (-31.232, -39.660,   2.568)  (-31.196, -39.624,   2.575)  ( 0.12,  0.09,  0.29)
162:     bond    ( 14.492, -68.239,  12.073)  ( 14.520, -68.213,  12.074)  ( 0.19,  0.04,  0.01)
162:     angle   (-55.628,  15.059,  -8.063)  (-55.620,  15.068,  -8.063)  ( 0.02,  0.06,  0.00)
162:     torsion (  0.060,  -0.095,  -0.580)  (  0.060,  -0.095,  -0.574)  ( 0.00,  0.00,  0.34)
162:     oop     ( -0.011,   0.016,   0.103)  ( -0.011,   0.016,   0.104)  ( 0.00,  0.00,  0.01)
162:     vdw     ( 10.146,  13.486,  -0.949)  ( 10.146,  13.486,  -0.949)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.291,   0.114,  -0.015)  ( -0.291,   0.114,  -0.015)  ( 0.00,  0.00,  0.00)
162: 14       ( 16.764,  -3.594,   1.930)  ( 16.799,  -3.556,   1.938)  ( 0.21,  1.04,  0.42)
162:     bond    (-72.072, -22.005,  -4.451)  (-72.048, -21.975,  -4.449)  ( 0.03,  0.14,  0.04)
162:     angle   ( 55.376,  21.622,   2.672)  ( 55.386,  21.630,   2.672)  ( 0.02,  0.03,  0.01)
162:     torsion (  0.028,  -0.040,  -0.269)  (  0.028,  -0.040,  -0.263)  ( 0.00,  0.00,  0.15)
162:     oop     (  0.008,  -0.012,  -0.076)  (  0.008,  -0.012,  -0.075)  ( 0.00,  0.00,  0.01)
162:     vdw     ( 33.453,  -3.053,   4.002)  ( 33.454,  -3.053,   4.002)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.029,  -0.106,   0.051)  ( -0.029,  -0.106,   0.051)  ( 0.00,  0.00,  0.00)
162: 15       (  8.467, -15.615,   2.941)  (  8.505, -15.580,   2.949)  ( 0.44,  0.22,  0.27)
162:     bond    ( -2.650,  74.579, -11.566)  ( -2.621,  74.604, -11.565)  ( 1.11,  0.03,  0.01)
162:     angle   ( -2.162, -58.460,   8.600)  ( -2.154, -58.451,   8.601)  ( 0.36,  0.02,  0.00)
162:     torsion (  0.050,  -0.070,  -0.477)  (  0.050,  -0.070,  -0.471)  ( 0.00,  0.00,  0.26)
162:     oop     ( -0.005,   0.008,   0.050)  ( -0.005,   0.008,   0.051)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 12.804, -31.465,   6.212)  ( 12.805, -31.464,   6.211)  ( 0.00,  0.00,  0.00)
162:     electro (  0.430,  -0.207,   0.121)  (  0.430,  -0.207,   0.121)  ( 0.00,  0.00,  0.00)
162: 16       ( 63.763,  54.797,  -0.993)  ( 63.799,  54.833,  -0.985)  ( 0.06,  0.06,  0.79)
162:     bond    ( 71.764,  10.866,   5.920)  ( 71.791,  10.892,   5.922)  ( 0.04,  0.24,  0.02)
162:     angle   (  1.899,  57.441,  -7.724)  (  1.908,  57.450,  -7.724)  ( 0.47,  0.02,  0.00)
162:     torsion (  0.025,  -0.072,  -0.434)  (  0.025,  -0.072,  -0.428)  ( 0.00,  0.00,  0.26)
162:     oop     ( -0.014,   0.020,   0.131)  ( -0.014,   0.020,   0.131)  ( 0.00,  0.00,  0.01)
162:     vdw     ( -9.891, -13.625,   1.091)  ( -9.891, -13.625,   1.091)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.021,   0.167,   0.022)  ( -0.021,   0.167,   0.022)  ( 0.00,  0.00,  0.00)
162: 17       (-104.398, 269.781, -48.554)  (-104.358, 269.821, -48.545)  ( 0.04,  0.01,  0.02)
162:     bond    (-121.876,  77.612, -22.958)  (-121.848,  77.645, -22.956)  ( 0.02,  0.04,  0.01)
162:     angle   ( 52.475, 188.373, -23.225)  ( 52.487, 188.380, -23.225)  ( 0.02,  0.00,  0.00)
162:     torsion ( -0.147,   0.296,   1.932)  ( -0.147,   0.296,   1.938)  ( 0.00,  0.00,  0.34)
162:     oop     (  0.005,  -0.007,  -0.048)  (  0.005,  -0.007,  -0.048)  ( 0.00,  0.00,  0.00)
162:     vdw     (-34.504,   3.961,  -4.024)  (-34.504,   3.961,  -4.024)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.351,  -0.454,  -0.231)  ( -0.351,  -0.454,  -0.231)  ( 0.00,  0.00,  0.00)
162: 18       (266.899,  64.087,  16.746)  (266.934,  64.124,  16.749)  ( 0.01,  0.06,  0.02)
162:     bond    (132.317,  -0.927,  13.697)  (132.343,  -0.898,  13.698)  ( 0.02,  2.68,  0.01)
162:     angle   (102.842, 120.385,  -6.104)  (102.851, 120.393,  -6.104)  ( 0.01,  0.01,  0.01)
162:     torsion ( -0.378,   0.601,   4.209)  ( -0.378,   0.601,   4.211)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 28.720, -49.200,   2.599)  ( 28.720, -49.199,   2.599)  ( 0.00,  0.00,  0.00)
162:     electro (  3.398,  -6.773,   2.345)  (  3.398,  -6.773,   2.345)  ( 0.00,  0.00,  0.00)
162: 19       (-1538.742, 1188.788, -276.653)  (-1538.710, 1188.828, -276.640)  ( 0.00,  0.00,  0.00)
162:     bond    (-1545.879, 1191.431, -274.504)  (-1545.847, 1191.469, -274.493)  ( 0.00,  0.00,  0.00)
162:     angle   (  1.487,  -4.525,  -0.024)  (  1.487,  -4.523,  -0.023)  ( 0.01,  0.05,  0.00)
162:     torsion (  2.548,   2.036,   1.544)  (  2.548,   2.036,   1.545)  ( 0.00,  0.00,  0.07)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.143,  -0.004,  -2.932)  (  4.144,  -0.004,  -2.932)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.041,  -0.150,  -0.737)  ( -1.041,  -0.150,  -0.737)  ( 0.00,  0.00,  0.00)
162: 20       ( 86.436, 706.025, -101.088)  ( 86.458, 706.051, -101.081)  ( 0.03,  0.00,  0.01)
162:     bond    (151.196, 878.960, -118.276)  (151.217, 878.983, -118.271)  ( 0.01,  0.00,  0.00)
162:     angle   (-67.603, -173.081,  19.919)  (-67.602, -173.079,  19.919)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.274,  -0.460,  -3.000)  (  0.274,  -0.460,  -2.998)  ( 0.00,  0.00,  0.06)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.533,  -0.331,  -1.224)  (  1.533,  -0.331,  -1.224)  ( 0.00,  0.00,  0.00)
162:     electro (  1.035,   0.938,   1.494)  (  1.035,   0.938,   1.494)  ( 0.00,  0.00,  0.00)
162: 21       (1495.435, -2134.121, 408.407)  (1495.458, -2134.091, 408.423)  ( 0.00,  0.00,  0.00)
162:     bond    (1489.384, -2120.756, 422.184)  (1489.406, -2120.728, 422.199)  ( 0.00,  0.00,  0.00)
162:     angle   (  4.342,  -5.879, -12.450)  (  4.342,  -5.877, -12.449)  ( 0.01,  0.02,  0.01)
162:     torsion (  1.876,  -6.333,   0.144)  (  1.876,  -6.333,   0.145)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.735,  -1.231,  -1.506)  (  2.735,  -1.231,  -1.506)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.902,   0.078,   0.035)  ( -2.902,   0.078,   0.035)  ( 0.00,  0.00,  0.00)
162: 22       (-51.923,  27.002,   1.657)  (-51.916,  27.014,   1.659)  ( 0.01,  0.05,  0.06)
162:     bond    (-20.900, -26.742,  -4.766)  (-20.893, -26.730,  -4.766)  ( 0.03,  0.04,  0.01)
162:     angle   ( -5.057,   1.912,  11.443)  ( -5.057,   1.912,  11.444)  ( 0.00,  0.00,  0.01)
162:     torsion ( -3.586,   3.178,  -2.103)  ( -3.586,   3.178,  -2.103)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-31.069,  49.001,  -3.748)  (-31.068,  49.002,  -3.748)  ( 0.00,  0.00,  0.00)
162:     electro (  8.688,  -0.348,   0.831)  (  8.688,  -0.348,   0.831)  ( 0.00,  0.00,  0.00)
162: 23       ( -3.878,   2.588,  -1.893)  ( -3.870,   2.596,  -1.891)  ( 0.23,  0.31,  0.13)
162:     bond    ( -0.574,  -0.525,  -0.252)  ( -0.566,  -0.519,  -0.250)  ( 0.40,  0.31,  0.03)
162:     angle   ( -5.635,   6.083,   0.123)  ( -5.633,   6.085,   0.123)  ( 0.03,  0.03,  0.00)
162:     torsion (  0.329,   0.326,  -1.421)  (  0.329,   0.326,  -1.420)  ( 0.00,  0.00,  0.07)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.425,  -3.472,  -0.465)  (  2.425,  -3.472,  -0.465)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.424,   0.176,   0.122)  ( -0.424,   0.176,   0.122)  ( 0.00,  0.00,  0.00)
162: 24       (  7.995,   5.188,  -8.011)  (  7.998,   5.202,  -8.008)  ( 0.04,  0.26,  0.03)
162:     bond    (  1.778,   9.862,  -1.175)  (  1.779,   9.875,  -1.175)  ( 0.03,  0.14,  0.02)
162:     angle   (  5.650,  -2.229, -10.182)  (  5.652,  -2.229, -10.180)  ( 0.04,  0.01,  0.02)
162:     torsion ( -3.745,   0.362,  -2.628)  ( -3.745,   0.362,  -2.628)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.871,  -2.924,   6.832)  (  3.871,  -2.924,   6.832)  ( 0.01,  0.00,  0.00)
162:     electro (  0.441,   0.118,  -0.859)  (  0.441,   0.118,  -0.859)  ( 0.00,  0.00,  0.00)
162: 25       (  3.805,   6.261,  -9.494)  (  3.810,   6.265,  -9.483)  ( 0.15,  0.06,  0.11)
162:     bond    ( -0.049,  -0.029,  -0.085)  ( -0.046,  -0.027,  -0.075)  ( 0.02,  0.00,  0.08)
162:     angle   ( -0.551,  24.710,  -8.633)  ( -0.549,  24.712,  -8.632)  ( 0.12,  0.01,  0.01)
162:     torsion (  1.574,  -4.084,   0.532)  (  1.574,  -4.084,   0.532)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.456, -13.791,  -0.063)  (  2.456, -13.791,  -0.063)  ( 0.00,  0.00,  0.00)
162:     electro (  0.375,  -0.545,  -1.244)  (  0.375,  -0.545,  -1.244)  ( 0.00,  0.00,  0.00)
162: 26       ( -4.871, -15.773,  15.087)  ( -4.869, -15.767,  15.097)  ( 0.05,  0.04,  0.07)
162:     bond    ( -2.603,   5.540,   8.677)  ( -2.602,   5.544,   8.687)  ( 0.03,  0.07,  0.11)
162:     angle   ( -3.041, -32.251,  19.671)  ( -3.039, -32.249,  19.672)  ( 0.06,  0.01,  0.00)
162:     torsion ( -1.919,   0.000,  -0.575)  ( -1.919,   0.000,  -0.575)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.187,  10.150, -11.492)  (  2.187,  10.150, -11.491)  ( 0.00,  0.00,  0.00)
162:     electro (  0.505,   0.787,  -1.195)  (  0.505,   0.787,  -1.195)  ( 0.00,  0.00,  0.00)
162: 27       (  1.735,  -0.888,   2.081)  (  1.744,  -0.882,   2.084)  ( 0.55,  0.54,  0.14)
162:     bond    (  2.163,  -1.595,   0.593)  (  2.172,  -1.591,   0.594)  ( 0.40,  0.29,  0.04)
162:     angle   ( -1.176,  -1.400,   0.551)  ( -1.175,  -1.398,   0.553)  ( 0.07,  0.10,  0.13)
162:     torsion (  0.730,   1.478,   1.289)  (  0.730,   1.478,   1.289)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.029,  -0.328,   0.071)  ( -0.029,  -0.328,   0.071)  ( 0.00,  0.00,  0.00)
162:     electro (  0.046,   0.956,  -0.422)  (  0.046,   0.956,  -0.422)  ( 0.00,  0.00,  0.00)
162: 28       (  0.954,  -5.346,  -0.633)  (  0.963,  -5.340,  -0.630)  ( 0.87,  0.12,  0.21)
162:     bond    ( -2.542,  -1.968,  -0.836)  ( -2.534,  -1.963,  -0.835)  ( 0.32,  0.25,  0.08)
162:     angle   (  2.418,  -3.758,   1.489)  (  2.418,  -3.757,   1.492)  ( 0.04,  0.04,  0.16)
162:     torsion (  0.984,  -1.067,  -0.477)  (  0.984,  -1.067,  -0.477)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.212,   0.467,  -0.324)  ( -0.212,   0.467,  -0.324)  ( 0.00,  0.00,  0.00)
162:     electro (  0.307,   0.980,  -0.486)  (  0.307,   0.980,  -0.486)  ( 0.00,  0.00,  0.00)
162: 29       ( -2.244,   1.339,  -9.097)  ( -2.236,   1.344,  -9.091)  ( 0.34,  0.43,  0.06)
162:     bond    ( -1.127,   0.796,  -0.929)  ( -1.120,   0.799,  -0.925)  ( 0.57,  0.26,  0.41)
162:     angle   ( -2.303, -19.066, -13.691)  ( -2.302, -19.064, -13.690)  ( 0.05,  0.01,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.469,  18.917,   5.895)  (  1.469,  18.918,   5.895)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.283,   0.691,  -0.371)  ( -0.283,   0.691,  -0.371)  ( 0.00,  0.00,  0.00)
162: 30       (  0.093,  -0.960,   8.322)  (  0.098,  -0.956,   8.332)  ( 0.05,  0.39,  0.12)
162:     bond    ( -3.132,  -2.734,   5.362)  ( -3.129,  -2.732,   5.371)  ( 0.10,  0.08,  0.17)
162:     angle   (  3.096,   1.352,   2.493)  (  3.098,   1.354,   2.493)  ( 0.06,  0.13,  0.04)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.323,   0.789,   0.324)  (  0.323,   0.789,   0.324)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.194,  -0.368,   0.143)  ( -0.194,  -0.368,   0.143)  ( 0.00,  0.00,  0.00)
162: 31       (  1.164,  -3.174,  -9.797)  (  1.168,  -3.165,  -9.791)  ( 0.37,  0.27,  0.06)
162:     bond    (  2.928,  -6.193,  -4.835)  (  2.929,  -6.186,  -4.831)  ( 0.06,  0.12,  0.10)
162:     angle   (-14.636,   2.588, -12.191)  (-14.634,   2.589, -12.190)  ( 0.01,  0.04,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 14.644,   0.498,   7.769)  ( 14.645,   0.498,   7.769)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.773,  -0.066,  -0.540)  ( -1.773,  -0.066,  -0.540)  ( 0.00,  0.00,  0.00)
162: 32       (  8.966,   3.718,  -1.249)  (  8.973,   3.727,  -1.247)  ( 0.08,  0.24,  0.18)
162:     bond    (  5.952,   6.761,   1.241)  (  5.959,   6.769,   1.242)  ( 0.10,  0.12,  0.02)
162:     angle   (  9.189,  -7.564,  -2.877)  (  9.190,  -7.563,  -2.875)  ( 0.01,  0.01,  0.07)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.465,   3.912,   0.042)  ( -6.465,   3.912,   0.042)  ( 0.00,  0.00,  0.00)
162:     electro (  0.289,   0.609,   0.344)  (  0.289,   0.609,   0.344)  ( 0.00,  0.00,  0.00)
162: 33       (  4.858,   2.418,  -8.841)  (  4.862,   2.423,  -8.831)  ( 0.07,  0.22,  0.11)
162:     bond    (  2.541,  -4.385,  -6.934)  (  2.542,  -4.381,  -6.924)  ( 0.05,  0.08,  0.13)
162:     angle   (  6.028,   7.272,  -2.389)  (  6.030,   7.274,  -2.388)  ( 0.03,  0.02,  0.03)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -5.260,  -1.149,   0.216)  ( -5.260,  -1.149,   0.216)  ( 0.00,  0.00,  0.00)
162:     electro (  1.549,   0.680,   0.265)  (  1.549,   0.680,   0.265)  ( 0.00,  0.00,  0.00)
162: 34       ( -0.628,   0.434,   8.528)  ( -0.625,   0.440,   8.538)  ( 0.16,  0.28,  0.11)
162:     bond    (  0.251,  -3.966,   5.301)  (  0.251,  -3.961,   5.311)  ( 0.00,  0.13,  0.17)
162:     angle   (  0.170,   4.417,   3.287)  (  0.173,   4.419,   3.287)  ( 0.04,  0.03,  0.02)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.706,  -0.232,  -1.036)  ( -1.706,  -0.232,  -1.036)  ( 0.00,  0.00,  0.00)
162:     electro (  0.657,   0.214,   0.976)  (  0.657,   0.214,   0.976)  ( 0.00,  0.00,  0.00)
162: 35       (  8.248,   6.901,  -0.584)  (  8.255,   6.911,  -0.583)  ( 0.09,  0.15,  0.09)
162:     bond    (  5.924,   8.036,  -0.594)  (  5.929,   8.045,  -0.594)  ( 0.08,  0.12,  0.00)
162:     angle   (  1.921,  -1.386,   0.451)  (  1.924,  -1.384,   0.451)  ( 0.12,  0.08,  0.00)
162:     torsion (  0.038,  -0.054,  -0.357)  (  0.038,  -0.054,  -0.355)  ( 0.00,  0.00,  0.05)
162:     oop     (  0.004,  -0.006,  -0.040)  (  0.004,  -0.006,  -0.040)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.584,   0.227,   0.036)  (  0.584,   0.227,   0.036)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.224,   0.084,  -0.081)  ( -0.224,   0.084,  -0.081)  ( 0.00,  0.00,  0.00)
162: 36       (-11.234,   3.388,  -2.136)  (-11.220,   3.392,  -2.134)  ( 0.13,  0.11,  0.08)
162:     bond    (-12.281,   1.560,  -1.568)  (-12.267,   1.560,  -1.568)  ( 0.11,  0.02,  0.02)
162:     angle   (  0.218,   1.503,  -0.206)  (  0.218,   1.506,  -0.206)  ( 0.00,  0.22,  0.00)
162:     torsion (  0.040,  -0.057,  -0.375)  (  0.040,  -0.057,  -0.373)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.007)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.374,   0.156,   0.019)  (  0.374,   0.156,   0.019)  ( 0.00,  0.00,  0.00)
162:     electro (  0.414,   0.226,  -0.013)  (  0.414,   0.226,  -0.013)  ( 0.00,  0.00,  0.00)
162: 37       ( -7.663,   9.470,  -2.292)  ( -7.657,   9.482,  -2.290)  ( 0.07,  0.13,  0.08)
162:     bond    ( -5.129,  11.363,  -2.288)  ( -5.126,  11.374,  -2.287)  ( 0.05,  0.10,  0.02)
162:     angle   ( -2.392,  -1.097,  -0.098)  ( -2.389,  -1.097,  -0.098)  ( 0.12,  0.05,  0.00)
162:     torsion ( -0.006,   0.008,   0.049)  ( -0.006,   0.008,   0.051)  ( 0.00,  0.00,  0.01)
162:     oop     (  0.004,  -0.005,  -0.036)  (  0.004,  -0.005,  -0.036)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.035,  -0.400,   0.057)  ( -0.035,  -0.400,   0.057)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.105,  -0.398,   0.023)  ( -0.105,  -0.398,   0.023)  ( 0.00,  0.00,  0.00)
162: 38       ( -7.103,  -7.577,   1.149)  ( -7.095,  -7.567,   1.150)  ( 0.10,  0.14,  0.13)
162:     bond    ( -6.172,  -8.092,   0.595)  ( -6.167,  -8.083,   0.595)  ( 0.09,  0.11,  0.00)
162:     angle   ( -0.200,   0.150,   0.009)  ( -0.197,   0.151,   0.009)  ( 0.04,  0.02,  0.00)
162:     torsion ( -0.081,   0.120,   0.791)  ( -0.081,   0.120,   0.793)  ( 0.00,  0.00,  0.11)
162:     oop     (  0.007,  -0.010,  -0.065)  (  0.007,  -0.010,  -0.065)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.021,  -0.614,   0.092)  ( -0.021,  -0.614,   0.092)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.636,   0.869,  -0.272)  ( -0.636,   0.869,  -0.272)  ( 0.00,  0.00,  0.00)
162: 39       ( 14.544, -46.771,   5.984)  ( 14.549, -46.755,   5.985)  ( 0.03,  0.03,  0.02)
162:     bond    (-11.935, -42.857,   4.341)  (-11.933, -42.841,   4.341)  ( 0.01,  0.04,  0.01)
162:     angle   ( 34.112,  -9.074,   4.235)  ( 34.116,  -9.073,   4.235)  ( 0.01,  0.00,  0.00)
162:     torsion (  0.147,  -0.213,  -1.697)  (  0.147,  -0.213,  -1.696)  ( 0.00,  0.00,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.255,  -1.843,   0.086)  (  2.255,  -1.843,   0.086)  ( 0.00,  0.00,  0.00)
162:     electro (-10.036,   7.216,  -0.981)  (-10.036,   7.216,  -0.980)  ( 0.00,  0.00,  0.00)
162: ok 2 # gradients 
162: ok 3 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       ( -2.416,   1.336,  -0.580)  ( -2.381,   1.366,  -0.572)  ( 1.47,  2.25,  0.45)
162:     bond    (  1.668,   2.101,   0.514)  (  1.697,   2.122,   0.516)  ( 1.75,  1.00,  0.10)
162:     angle   ( -2.813,   0.148,  -0.737)  ( -2.807,   0.157,  -0.737)  ( 0.22,  0.13,  0.03)
162:     torsion ( -0.004,  -0.000,   0.007)  ( -0.003,  -0.000,   0.013)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.503,  -0.363,  -0.145)  ( -0.503,  -0.363,  -0.145)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.764,  -0.550,  -0.219)  ( -0.764,  -0.550,  -0.219)  ( 0.00,  0.00,  0.00)
162:  2       (-20.144, -28.711,  -6.120)  (-20.107, -28.679,  -6.117)  ( 0.18,  0.11,  0.05)
162:     bond    (-23.264, -13.153,  -6.554)  (-23.234, -13.130,  -6.552)  ( 0.13,  0.17,  0.03)
162:     angle   (  3.116, -15.559,   0.458)  (  3.122, -15.549,   0.455)  ( 0.20,  0.06,  0.16)
162:     torsion (  0.005,   0.001,  -0.024)  (  0.005,   0.001,  -0.020)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  3       ( -4.496,  -1.207,  -1.210)  ( -4.490,  -1.196,  -1.209)  ( 0.14,  0.89,  0.14)
162:     bond    ( -1.865,  -2.844,  -0.582)  ( -1.861,  -2.835,  -0.582)  ( 0.23,  0.34,  0.02)
162:     angle   ( -1.717,   1.210,  -0.414)  ( -1.715,   1.211,  -0.414)  ( 0.12,  0.08,  0.01)
162:     torsion ( -0.004,  -0.000,   0.013)  ( -0.004,  -0.000,   0.014)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.757,   0.117,  -0.196)  ( -0.757,   0.117,  -0.196)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.153,   0.311,  -0.031)  ( -0.153,   0.311,  -0.031)  ( 0.00,  0.00,  0.00)
162:  4       ( -0.619,   3.694,  -0.063)  ( -0.613,   3.706,  -0.062)  ( 0.34,  0.32,  0.01)
162:     bond    ( -0.396,   0.739,  -0.080)  ( -0.393,   0.750,  -0.080)  ( 0.12,  0.83,  0.00)
162:     angle   (  4.743,   2.628,   1.337)  (  4.745,   2.629,   1.337)  ( 0.05,  0.03,  0.01)
162:     torsion (  0.005,   0.001,  -0.019)  (  0.005,   0.001,  -0.018)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -5.367,  -0.181,  -1.422)  ( -5.367,  -0.181,  -1.422)  ( 0.00,  0.00,  0.00)
162:     electro (  0.397,   0.506,   0.121)  (  0.397,   0.506,   0.121)  ( 0.00,  0.00,  0.00)
162:  5       ( 14.833,  -8.003,   3.652)  ( 14.839,  -7.991,   3.654)  ( 0.04,  0.15,  0.04)
162:     bond    (  6.026, -12.251,   1.200)  (  6.028, -12.240,   1.200)  ( 0.05,  0.09,  0.00)
162:     angle   (  7.069,   3.677,   1.984)  (  7.072,   3.677,   1.984)  ( 0.04,  0.02,  0.01)
162:     torsion (  0.002,   0.000,  -0.009)  (  0.002,   0.000,  -0.008)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.795,  -0.091,   0.207)  (  0.795,  -0.091,   0.207)  ( 0.00,  0.00,  0.00)
162:     electro (  0.941,   0.663,   0.270)  (  0.941,   0.663,   0.270)  ( 0.00,  0.00,  0.00)
162:  6       ( 84.204, 153.028,  26.891)  ( 84.228, 153.069,  26.875)  ( 0.03,  0.03,  0.06)
162:     bond    ( 97.856, 137.509,  30.243)  ( 97.875, 137.547,  30.246)  ( 0.02,  0.03,  0.01)
162:     angle   (-19.851,  15.136,  -5.020)  (-19.847,  15.139,  -5.039)  ( 0.02,  0.02,  0.37)
162:     torsion ( -0.005,  -0.001,   0.018)  ( -0.005,  -0.001,   0.018)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.516,   0.198,   1.462)  (  5.516,   0.198,   1.462)  ( 0.00,  0.00,  0.00)
162:     electro (  0.688,   0.186,   0.188)  (  0.688,   0.186,   0.188)  ( 0.00,  0.00,  0.00)
162:  7       (-71.490, -120.302, -22.565)  (-71.475, -120.275, -22.569)  ( 0.02,  0.02,  0.02)
162:     bond    (-80.126, -112.242, -24.749)  (-80.112, -112.215, -24.747)  ( 0.02,  0.02,  0.01)
162:     angle   (  9.429,  -7.265,   2.419)  (  9.430,  -7.264,   2.413)  ( 0.01,  0.01,  0.23)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.316,   0.320,   0.094)  (  0.316,   0.320,   0.094)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.109,  -1.116,  -0.328)  ( -1.109,  -1.116,  -0.328)  ( 0.00,  0.00,  0.00)
162: ok 4 # gradients 
162: ok 5 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (-15.578,  12.843, -21.710)  (-15.551,  12.869, -21.683)  ( 0.17,  0.20,  0.12)
162:     bond    (-23.897,   0.009,  -0.241)  (-23.879,   0.028,  -0.222)  ( 0.08,  0.02,  0.45)
162:     angle   (  9.184,   9.468, -16.237)  (  9.192,   9.475, -16.229)  ( 0.09,  0.07,  0.05)
162:     torsion ( -0.724,   3.315,  -5.141)  ( -0.724,   3.316,  -5.141)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.085,  -0.028,   0.049)  (  0.085,  -0.028,   0.049)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.226,   0.080,  -0.140)  ( -0.226,   0.080,  -0.140)  ( 0.00,  0.00,  0.00)
162:  2       ( 66.444, -20.112,  34.103)  ( 66.479, -20.099,  34.137)  ( 0.05,  0.07,  0.10)
162:     bond    ( 80.756,  -4.206,   7.454)  ( 80.781,  -4.197,   7.481)  ( 0.03,  0.23,  0.37)
162:     angle   (-14.451, -14.681,  25.955)  (-14.441, -14.678,  25.961)  ( 0.07,  0.02,  0.02)
162:     torsion (  0.139,  -1.225,   0.694)  (  0.139,  -1.224,   0.694)  ( 0.00,  0.09,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  3       (-29.182, -26.066,  44.177)  (-29.173, -26.060,  44.194)  ( 0.03,  0.02,  0.04)
162:     bond    (-25.038, -24.585,  42.258)  (-25.032, -24.579,  42.274)  ( 0.02,  0.02,  0.04)
162:     angle   ( -9.303,   2.374,  -4.127)  ( -9.300,   2.375,  -4.126)  ( 0.03,  0.01,  0.02)
162:     torsion (  0.000,  -0.282,  -0.164)  (  0.000,  -0.282,  -0.164)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.203,   0.230,  -0.381)  (  5.203,   0.230,  -0.381)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.044,  -3.803,   6.591)  ( -0.044,  -3.803,   6.591)  ( 0.00,  0.00,  0.00)
162:  4       ( 24.918,  38.241, -61.839)  ( 24.953,  38.251, -61.810)  ( 0.14,  0.03,  0.05)
162:     bond    (-28.645,  29.006, -49.921)  (-28.619,  29.013, -49.899)  ( 0.09,  0.03,  0.04)
162:     angle   ( 48.649,   7.158, -13.750)  ( 48.659,   7.159, -13.745)  ( 0.02,  0.02,  0.04)
162:     torsion (  0.017,   2.352,   1.351)  (  0.017,   2.354,   1.352)  ( 0.00,  0.07,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  7.319,  -0.635,   1.111)  (  7.319,  -0.635,   1.111)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.422,   0.360,  -0.629)  ( -2.422,   0.360,  -0.629)  ( 0.00,  0.00,  0.00)
162:  5       (-21.265,   6.874, -14.158)  (-21.258,   6.878, -14.147)  ( 0.03,  0.06,  0.08)
162:     bond    (  1.241,   1.282,  -2.290)  (  1.244,   1.286,  -2.280)  ( 0.26,  0.26,  0.46)
162:     angle   (-24.505,   6.123,  -9.921)  (-24.502,   6.123,  -9.921)  ( 0.01,  0.00,  0.00)
162:     torsion ( -0.015,  -1.247,  -0.712)  ( -0.015,  -1.247,  -0.712)  ( 0.00,  0.04,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.129,   0.078,  -0.137)  ( -0.129,   0.078,  -0.137)  ( 0.00,  0.00,  0.00)
162:     electro (  2.143,   0.638,  -1.097)  (  2.143,   0.638,  -1.097)  ( 0.00,  0.00,  0.00)
162:  6       ( -9.157,  -4.798,   7.257)  ( -9.140,  -4.797,   7.260)  ( 0.19,  0.03,  0.04)
162:     bond    ( -9.043,  -0.339,   0.462)  ( -9.026,  -0.339,   0.462)  ( 0.19,  0.00,  0.00)
162:     angle   (  0.755,  -5.921,  10.394)  (  0.755,  -5.921,  10.396)  ( 0.00,  0.02,  0.03)
162:     torsion (  0.003,  -0.460,  -0.269)  (  0.003,  -0.459,  -0.269)  ( 0.00,  0.02,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.127,   0.070,  -0.122)  ( -0.127,   0.070,  -0.122)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.745,   1.852,  -3.207)  ( -0.745,   1.852,  -3.207)  ( 0.00,  0.00,  0.00)
162:  7       ( -5.958,   3.771,   5.961)  ( -5.955,   3.784,   5.963)  ( 0.06,  0.35,  0.04)
162:     bond    (  0.880,   2.996,  -0.063)  (  0.882,   3.009,  -0.063)  ( 0.10,  0.43,  0.00)
162:     angle   ( -3.718,   1.192,   4.962)  ( -3.716,   1.192,   4.964)  ( 0.06,  0.01,  0.04)
162:     torsion (  0.288,  -0.026,   2.823)  (  0.288,  -0.026,   2.823)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.634,  -0.831,  -1.163)  ( -3.634,  -0.831,  -1.163)  ( 0.00,  0.00,  0.00)
162:     electro (  0.226,   0.440,  -0.598)  (  0.226,   0.440,  -0.598)  ( 0.00,  0.00,  0.00)
162:  8       ( -5.916,  -7.067,  -0.309)  ( -5.912,  -7.062,  -0.298)  ( 0.06,  0.06,  0.33)
162:     bond    (  0.875,  -1.405,  -2.611)  (  0.876,  -1.402,  -2.601)  ( 0.10,  0.21,  0.39)
162:     angle   ( -3.642,  -4.939,   1.435)  ( -3.639,  -4.938,   1.436)  ( 0.06,  0.03,  0.04)
162:     torsion (  0.292,  -2.437,   1.412)  (  0.292,  -2.437,   1.412)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.658,   1.415,   0.141)  ( -3.658,   1.415,   0.141)  ( 0.00,  0.00,  0.00)
162:     electro (  0.217,   0.299,  -0.686)  (  0.217,   0.299,  -0.686)  ( 0.00,  0.00,  0.00)
162:  9       ( -4.447,  -3.770,   6.375)  ( -4.443,  -3.765,   6.384)  ( 0.11,  0.12,  0.15)
162:     bond    (  2.770,  -2.821,   4.838)  (  2.773,  -2.818,   4.847)  ( 0.10,  0.10,  0.18)
162:     angle   ( -3.009,  -0.788,   1.262)  ( -3.008,  -0.787,   1.263)  ( 0.06,  0.13,  0.07)
162:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -5.059,  -0.299,   0.503)  ( -5.059,  -0.299,   0.503)  ( 0.00,  0.00,  0.00)
162:     electro (  0.851,   0.134,  -0.232)  (  0.851,   0.134,  -0.232)  ( 0.00,  0.00,  0.00)
162: ok 6 # gradients 
162: ok 7 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       ( 67.160,   2.206,  24.780)  ( 67.186,   2.233,  24.806)  ( 0.04,  1.22,  0.10)
162:     bond    ( 22.644, -16.648,  11.930)  ( 22.661, -16.629,  11.948)  ( 0.08,  0.11,  0.15)
162:     angle   ( 37.185,  11.973,   6.180)  ( 37.193,  11.982,   6.187)  ( 0.02,  0.07,  0.12)
162:     torsion ( -1.785,   2.458,   6.015)  ( -1.785,   2.458,   6.015)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  8.865,   3.684,   0.918)  (  8.865,   3.684,   0.918)  ( 0.00,  0.00,  0.00)
162:     electro (  0.251,   0.738,  -0.263)  (  0.251,   0.738,  -0.263)  ( 0.00,  0.00,  0.00)
162:  2       (-54.056, -12.659, -38.296)  (-54.035, -12.646, -38.291)  ( 0.04,  0.10,  0.01)
162:     bond    (-48.851,  -1.807, -13.473)  (-48.831,  -1.800, -13.471)  ( 0.04,  0.40,  0.02)
162:     angle   (-10.253,  -3.726,  -7.605)  (-10.252,  -3.720,  -7.603)  ( 0.01,  0.15,  0.03)
162:     torsion (  5.048,  -7.126, -17.218)  (  5.048,  -7.126, -17.217)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  3       ( -9.462,   3.054,  -6.871)  ( -9.460,   3.067,  -6.868)  ( 0.03,  0.45,  0.04)
162:     bond    (  0.187,   4.023,   0.769)  (  0.187,   4.037,   0.769)  ( 0.00,  0.34,  0.04)
162:     angle   (-24.568,   2.112,  -5.117)  (-24.566,   2.112,  -5.115)  ( 0.01,  0.00,  0.04)
162:     torsion (  2.570,   0.608,  -3.814)  (  2.570,   0.608,  -3.814)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  9.035,  -3.284,   1.316)  (  9.036,  -3.284,   1.316)  ( 0.00,  0.00,  0.00)
162:     electro (  3.314,  -0.405,  -0.025)  (  3.314,  -0.405,  -0.025)  ( 0.00,  0.00,  0.00)
162:  4       ( -0.929,   4.323,   5.355)  ( -0.918,   4.327,   5.359)  ( 1.02,  0.09,  0.07)
162:     bond    ( -2.129,  -0.870,   0.925)  ( -2.119,  -0.868,   0.927)  ( 0.49,  0.15,  0.18)
162:     angle   ( -0.029,   1.460,   1.303)  ( -0.028,   1.462,   1.305)  ( 0.00,  0.14,  0.14)
162:     torsion (  0.179,   3.113,   3.325)  (  0.179,   3.114,   3.325)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.066,  -0.008,  -0.008)  ( -0.066,  -0.008,  -0.008)  ( 0.00,  0.00,  0.00)
162:     electro (  1.117,   0.628,  -0.190)  (  1.117,   0.628,  -0.190)  ( 0.00,  0.00,  0.00)
162:  5       ( -7.077,  -6.899,   0.843)  ( -7.075,  -6.896,   0.857)  ( 0.03,  0.04,  1.16)
162:     bond    (  0.021,  -0.314,  -1.873)  (  0.021,  -0.313,  -1.860)  ( 0.00,  0.01,  0.73)
162:     angle   ( -6.502,  -3.846,   0.573)  ( -6.499,  -3.843,   0.573)  ( 0.03,  0.06,  0.00)
162:     torsion ( -2.778,  -3.682,   0.588)  ( -2.778,  -3.682,   0.588)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.685,   0.034,   0.553)  (  0.685,   0.034,   0.553)  ( 0.00,  0.00,  0.00)
162:     electro (  1.496,   0.908,   1.002)  (  1.496,   0.908,   1.002)  ( 0.00,  0.00,  0.00)
162:  6       (-17.237,  28.530,  -1.904)  (-17.205,  28.562,  -1.894)  ( 0.19,  0.11,  0.55)
162:     bond    ( -4.210,  31.977, -15.446)  ( -4.178,  32.002, -15.437)  ( 0.75,  0.08,  0.06)
162:     angle   (  1.764, -12.053,   5.716)  (  1.765, -12.047,   5.717)  ( 0.01,  0.05,  0.02)
162:     torsion ( -3.310,   4.741,  11.339)  ( -3.310,   4.741,  11.339)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -7.040,   3.119,  -1.982)  ( -7.040,   3.120,  -1.982)  ( 0.00,  0.00,  0.00)
162:     electro ( -4.442,   0.747,  -1.531)  ( -4.442,   0.747,  -1.531)  ( 0.00,  0.00,  0.00)
162:  7       ( 39.537, -11.561,  18.250)  ( 39.556, -11.555,  18.255)  ( 0.05,  0.05,  0.03)
162:     bond    ( 32.188, -14.882,  16.406)  ( 32.207, -14.877,  16.411)  ( 0.06,  0.03,  0.03)
162:     angle   (  2.414,   4.058,  -1.058)  (  2.414,   4.059,  -1.058)  ( 0.02,  0.04,  0.01)
162:     torsion ( -0.273,   0.396,   0.895)  ( -0.273,   0.396,   0.895)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.203,  -0.065,   0.084)  (  0.203,  -0.065,   0.084)  ( 0.00,  0.00,  0.00)
162:     electro (  5.005,  -1.067,   1.924)  (  5.005,  -1.067,   1.924)  ( 0.00,  0.00,  0.00)
162:  8       (-18.049,  -7.109,  -2.227)  (-18.049,  -7.091,  -2.224)  ( 0.00,  0.24,  0.17)
162:     bond    (  0.051,  -1.569,   0.709)  (  0.051,  -1.551,   0.712)  ( 0.00,  1.10,  0.26)
163: # Testing Ghemical Force Field...
163: ok 1 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (230.770,  15.548,  47.534)  (230.842,  15.637,  47.545)  ( 0.03,  0.58,  0.02)
163:     bond    (121.169,  86.026,  47.443)  (121.228,  86.103,  47.449)  ( 0.05,  0.09,  0.01)
163:     angle   (114.073, -75.278,  10.957)  (114.085, -75.265,  10.959)  ( 0.01,  0.02,  0.02)
163:     torsion (  2.315,   2.076, -10.103)  (  2.315,   2.076, -10.100)  ( 0.00,  0.01,  0.02)
163:     vdw     ( -6.787,   2.723,  -0.763)  ( -6.787,   2.723,  -0.763)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       ( 31.074, -55.193,  28.644)  ( 31.177, -55.120,  28.657)  ( 0.33,  0.13,  0.05)
163:     bond    (105.357, -149.034,  -5.246)  (105.440, -148.979,  -5.239)  ( 0.08,  0.04,  0.14)
163:     angle   (-80.367, 107.149,  -3.347)  (-80.347, 107.165,  -3.343)  ( 0.02,  0.02,  0.11)
163:     torsion (  9.368,  -1.776,  23.908)  (  9.368,  -1.776,  23.910)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -3.283, -11.531,  13.329)  ( -3.283, -11.531,  13.329)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       (-236.753, -106.456, -95.205)  (-236.677, -106.370, -95.193)  ( 0.03,  0.08,  0.01)
163:     bond    (-177.229, -86.227, -64.766)  (-177.165, -86.154, -64.759)  ( 0.04,  0.08,  0.01)
163:     angle   (-70.025, -29.241, -13.562)  (-70.013, -29.228, -13.560)  ( 0.02,  0.04,  0.02)
163:     torsion (  4.874,   3.954, -19.458)  (  4.874,   3.954, -19.456)  ( 0.00,  0.00,  0.01)
163:     vdw     (  5.628,   5.057,   2.581)  (  5.628,   5.057,   2.581)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (-126.999, -160.981, -84.433)  (-126.935, -160.889, -84.419)  ( 0.05,  0.06,  0.02)
163:     bond    (-234.447,  24.970, -55.738)  (-234.396,  25.050, -55.729)  ( 0.02,  0.32,  0.02)
163:     angle   ( 99.611, -183.568, -21.468)  ( 99.624, -183.556, -21.465)  ( 0.01,  0.01,  0.01)
163:     torsion (  1.884,   1.751,  -6.942)  (  1.884,   1.751,  -6.941)  ( 0.01,  0.01,  0.03)
163:     vdw     (  5.953,  -4.134,  -0.285)  (  5.953,  -4.134,  -0.285)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-22.500, 327.225,  82.973)  (-22.421, 327.266,  82.984)  ( 0.35,  0.01,  0.01)
163:     bond    ( 38.244, 121.228,  41.806)  ( 38.319, 121.256,  41.813)  ( 0.20,  0.02,  0.02)
163:     angle   (-54.031, 208.040,  36.291)  (-54.027, 208.053,  36.292)  ( 0.01,  0.01,  0.00)
163:     torsion ( -1.949,  -1.946,   7.573)  ( -1.949,  -1.946,   7.574)  ( 0.00,  0.01,  0.02)
163:     vdw     ( -4.764,  -0.097,  -2.696)  ( -4.764,  -0.097,  -2.696)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       ( 32.880, -339.346, -69.860)  ( 32.955, -339.260, -69.851)  ( 0.23,  0.03,  0.01)
163:     bond    ( 86.762, -175.637, -21.392)  ( 86.824, -175.563, -21.387)  ( 0.07,  0.04,  0.02)
163:     angle   (-51.939, -157.049, -49.092)  (-51.926, -157.038, -49.090)  ( 0.03,  0.01,  0.00)
163:     torsion ( -0.579,  -0.614,   2.947)  ( -0.579,  -0.614,   2.949)  ( 0.01,  0.01,  0.08)
163:     vdw     ( -0.865,  -6.374,  -2.432)  ( -0.865,  -6.374,  -2.432)  ( 0.02,  0.00,  0.00)
163:     electro ( -0.499,   0.329,   0.109)  ( -0.499,   0.329,   0.109)  ( 0.00,  0.00,  0.00)
163:  7       (133.858,  88.163,  -4.538)  (133.901,  88.209,  -4.499)  ( 0.03,  0.05,  0.86)
163:     bond    (120.107, -51.316, -45.582)  (120.140, -51.282, -45.553)  ( 0.03,  0.07,  0.06)
163:     angle   ( 14.796, 145.842,  41.461)  ( 14.806, 145.853,  41.471)  ( 0.07,  0.01,  0.02)
163:     torsion ( -0.612,  -0.558,   2.434)  ( -0.612,  -0.558,   2.435)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.433,  -5.805,  -2.852)  ( -0.433,  -5.804,  -2.852)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       ( -8.961,  88.814,  12.903)  ( -8.949,  88.851,  12.924)  ( 0.13,  0.04,  0.16)
163:     bond    (-20.203, 101.675,  18.600)  (-20.201, 101.710,  18.616)  ( 0.01,  0.04,  0.09)
163:     angle   ( 38.037, -13.083,   7.156)  ( 38.047, -13.081,   7.160)  ( 0.03,  0.01,  0.06)
163:     torsion (-21.767,  -2.156,  -9.606)  (-21.768,  -2.156,  -9.606)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -5.028,   2.378,  -3.247)  ( -5.027,   2.378,  -3.247)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  9       ( -1.781,  27.438,   6.210)  ( -1.735,  27.485,   6.259)  ( 2.59,  0.17,  0.79)
163:     bond    ( -2.842, -29.193,  13.720)  ( -2.805, -29.158,  13.757)  ( 1.28,  0.12,  0.27)
163:     angle   ( -6.775,  56.706,  -9.037)  ( -6.765,  56.718,  -9.025)  ( 0.15,  0.02,  0.13)
163:     torsion (  8.642,  -0.633,   2.133)  (  8.642,  -0.634,   2.133)  ( 0.01,  0.02,  0.01)
163:     vdw     ( -0.806,   0.558,  -0.606)  ( -0.806,   0.558,  -0.606)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 10       (121.026,  97.357,  77.519)  (121.076,  97.405,  77.566)  ( 0.04,  0.05,  0.06)
163:     bond    ( 55.916,  58.881,  22.131)  ( 55.952,  58.916,  22.168)  ( 0.06,  0.06,  0.17)
163:     angle   ( 65.497,  37.697,  49.927)  ( 65.510,  37.710,  49.937)  ( 0.02,  0.04,  0.02)
163:     torsion ( -1.399,  -1.243,   5.820)  ( -1.399,  -1.243,   5.820)  ( 0.00,  0.00,  0.01)
163:     vdw     (  1.013,   2.022,  -0.358)  (  1.013,   2.022,  -0.358)  ( 0.01,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       (-178.441,  56.536, -12.123)  (-178.391,  56.584, -12.076)  ( 0.03,  0.09,  0.39)
163:     bond    (-113.413,  39.694, -12.800)  (-113.376,  39.729, -12.764)  ( 0.03,  0.09,  0.28)
163:     angle   (-63.583,  15.799,   0.304)  (-63.571,  15.813,   0.315)  ( 0.02,  0.08,  0.31)
163:     torsion ( -0.164,  -0.169,   0.725)  ( -0.164,  -0.169,   0.726)  ( 0.00,  0.00,  0.03)
163:     vdw     ( -1.281,   1.211,  -0.352)  ( -1.281,   1.211,  -0.352)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (-309.585, 168.570, -61.479)  (-309.474, 168.656, -61.471)  ( 0.04,  0.05,  0.01)
163:     bond    (-261.125, 204.404, -58.888)  (-261.025, 204.475, -58.884)  ( 0.04,  0.03,  0.01)
163:     angle   (-44.453, -44.369,  -0.417)  (-44.442, -44.354,  -0.417)  ( 0.03,  0.03,  0.01)
163:     torsion (  0.061,  -0.086,  -0.605)  (  0.061,  -0.086,  -0.601)  ( 0.00,  0.00,  0.25)
163:     vdw     ( -4.068,   8.620,  -1.569)  ( -4.068,   8.620,  -1.569)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 13       ( 43.845, -102.204,  20.477)  ( 43.934, -102.124,  20.483)  ( 0.20,  0.08,  0.03)
163:     bond    (117.722, -98.093,  27.700)  (117.798, -98.025,  27.703)  ( 0.06,  0.07,  0.01)
163:     angle   (-74.835,  -7.801,  -6.628)  (-74.822,  -7.789,  -6.628)  ( 0.02,  0.15,  0.00)
163:     torsion (  0.024,  -0.039,  -0.234)  (  0.024,  -0.039,  -0.230)  ( 0.00,  0.00,  0.08)
163:     vdw     (  2.133,   2.565,  -0.133)  (  2.133,   2.565,  -0.133)  ( 0.00,  0.00,  0.00)
163:     electro ( -1.199,   1.164,  -0.229)  ( -1.199,   1.164,  -0.229)  ( 0.00,  0.00,  0.00)
163: 14       (-36.109, -48.858,   3.417)  (-36.039, -48.759,   3.424)  ( 0.20,  0.20,  0.21)
163:     bond    (-115.278, -76.367,  -0.800)  (-115.221, -76.279,  -0.797)  ( 0.05,  0.11,  0.30)
163:     angle   ( 71.512,  27.575,   3.506)  ( 71.525,  27.586,   3.506)  ( 0.02,  0.04,  0.01)
163:     torsion (  0.015,  -0.022,  -0.148)  (  0.015,  -0.022,  -0.145)  ( 0.00,  0.00,  0.05)
163:     vdw     (  8.156,  -0.533,   0.952)  (  8.157,  -0.533,   0.952)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.515,   0.489,  -0.092)  ( -0.515,   0.489,  -0.092)  ( 0.00,  0.00,  0.00)
163: 15       ( 33.113,  48.660,  -4.041)  ( 33.209,  48.734,  -4.035)  ( 0.29,  0.15,  0.17)
163:     bond    ( 31.105, 131.273, -16.544)  ( 31.189, 131.334, -16.541)  ( 0.27,  0.05,  0.02)
163:     angle   ( -1.857, -74.929,  11.143)  ( -1.845, -74.917,  11.143)  ( 0.64,  0.02,  0.00)
163:     torsion (  0.027,  -0.039,  -0.263)  (  0.027,  -0.039,  -0.260)  ( 0.00,  0.00,  0.08)
163:     vdw     (  3.027,  -7.745,   1.526)  (  3.027,  -7.745,   1.526)  ( 0.00,  0.00,  0.00)
163:     electro (  0.811,   0.101,   0.097)  (  0.811,   0.101,   0.097)  ( 0.00,  0.00,  0.00)
163: 16       (121.317,  -1.933,  14.143)  (121.404,  -1.852,  14.149)  ( 0.07,  4.20,  0.04)
163:     bond    (133.239, -68.848,  24.454)  (133.314, -68.779,  24.457)  ( 0.06,  0.10,  0.01)
163:     angle   (-10.468,  68.924, -10.394)  (-10.456,  68.937, -10.394)  ( 0.12,  0.02,  0.00)
163:     torsion (  0.005,  -0.025,  -0.143)  (  0.005,  -0.024,  -0.140)  ( 0.00,  0.00,  0.05)
163:     vdw     ( -2.434,  -2.403,   0.153)  ( -2.434,  -2.403,   0.153)  ( 0.00,  0.00,  0.00)
163:     electro (  0.975,   0.417,   0.073)  (  0.975,   0.417,   0.073)  ( 0.00,  0.00,  0.00)
163: 17       (-325.590, 298.031, -75.555)  (-325.500, 298.136, -75.547)  ( 0.03,  0.04,  0.01)
163:     bond    (-371.855, 211.563, -66.837)  (-371.779, 211.658, -66.833)  ( 0.02,  0.04,  0.01)
163:     angle   ( 55.346,  85.009,  -7.558)  ( 55.360,  85.020,  -7.558)  ( 0.03,  0.01,  0.00)
163:     torsion (  0.036,  -0.026,  -0.174)  (  0.037,  -0.026,  -0.170)  ( 0.00,  0.00,  0.06)
163:     vdw     ( -9.118,   1.484,  -0.986)  ( -9.118,   1.484,  -0.986)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 18       (164.570, -216.301,  59.167)  (164.657, -216.222,  59.174)  ( 0.05,  0.04,  0.01)
163:     bond    (138.178, -139.130,  38.931)  (138.251, -139.065,  38.934)  ( 0.05,  0.05,  0.01)
163:     angle   ( 25.727, -77.475,  12.790)  ( 25.740, -77.460,  12.791)  ( 0.05,  0.02,  0.00)
163:     torsion ( -0.695,   0.990,   6.900)  ( -0.695,   0.990,   6.903)  ( 0.00,  0.01,  0.04)
163:     vdw     (  2.153,  -5.046,   0.612)  (  2.153,  -5.046,   0.612)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.792,   4.359,  -0.065)  ( -0.792,   4.359,  -0.065)  ( 0.00,  0.00,  0.00)
163: 19       (-965.766, 2663.086, -575.860)  (-965.690, 2663.170, -575.850)  ( 0.01,  0.00,  0.00)
163:     bond    (-1418.917, 2382.703, -443.048)  (-1418.856, 2382.777, -443.040)  ( 0.00,  0.00,  0.00)
163:     angle   (447.095, 281.029, -129.732)  (447.109, 281.038, -129.733)  ( 0.00,  0.00,  0.00)
163:     torsion (  0.024,   0.039,   0.308)  (  0.024,   0.039,   0.309)  ( 0.00,  0.00,  0.05)
163:     vdw     (  6.033,  -0.685,  -3.387)  (  6.033,  -0.685,  -3.387)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       (114.232, -437.606,  83.440)  (114.289, -437.539,  83.444)  ( 0.05,  0.02,  0.00)
163:     bond    (358.499, -354.381,  86.813)  (358.545, -354.320,  86.816)  ( 0.01,  0.02,  0.00)
163:     angle   (-245.243, -83.323,  -1.702)  (-245.232, -83.318,  -1.702)  ( 0.00,  0.01,  0.01)
163:     torsion (  0.110,  -0.237,  -1.547)  (  0.110,  -0.237,  -1.546)  ( 0.00,  0.00,  0.07)
163:     vdw     (  0.866,   0.335,  -0.124)  (  0.866,   0.335,  -0.124)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 21       (1412.002, -2219.798, 590.177)  (1412.038, -2219.762, 590.203)  ( 0.00,  0.00,  0.00)
163:     bond    (1625.070, -1930.637, 478.096)  (1625.097, -1930.605, 478.116)  ( 0.00,  0.00,  0.00)
163:     angle   (-197.172, -290.361, 113.648)  (-197.163, -290.357, 113.653)  ( 0.00,  0.00,  0.00)
163:     torsion (  0.078,  -0.157,  -1.123)  (  0.078,  -0.157,  -1.123)  ( 0.00,  0.00,  0.02)
163:     vdw     (-21.130,   1.015,  -0.657)  (-21.129,   1.015,  -0.657)  ( 0.00,  0.00,  0.00)
163:     electro (  5.156,   0.342,   0.213)  (  5.156,   0.342,   0.213)  ( 0.00,  0.00,  0.00)
163: 22       (-366.659, -78.515, -15.951)  (-366.643, -78.496, -15.948)  ( 0.00,  0.02,  0.02)
163:     bond    (-171.955, -219.996, -39.220)  (-171.945, -219.980, -39.219)  ( 0.01,  0.01,  0.00)
163:     angle   (-23.182,  13.743,  24.534)  (-23.181,  13.744,  24.536)  ( 0.01,  0.01,  0.01)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (-160.520, 122.573,  -1.512)  (-160.516, 122.575,  -1.512)  ( 0.00,  0.00,  0.03)
163:     electro (-11.002,   5.165,   0.246)  (-11.002,   5.165,   0.246)  ( 0.00,  0.00,  0.00)
163: 23       (-22.584,  54.833,   6.425)  (-22.566,  54.848,   6.428)  ( 0.08,  0.03,  0.05)
163:     bond    ( 15.086,  13.833,   6.673)  ( 15.101,  13.845,   6.676)  ( 0.09,  0.09,  0.04)
163:     angle   (-45.622,  49.256,   1.036)  (-45.620,  49.258,   1.036)  ( 0.01,  0.01,  0.01)
163:     torsion (  0.047,   0.044,  -0.198)  (  0.047,   0.044,  -0.198)  ( 0.00,  0.00,  0.01)
163:     vdw     (  7.493,  -8.141,  -1.046)  (  7.493,  -8.141,  -1.046)  ( 0.00,  0.00,  0.00)
163:     electro (  0.412,  -0.158,  -0.040)  (  0.412,  -0.158,  -0.040)  ( 0.00,  0.00,  0.00)
163: 24       (-16.608, -19.937, -12.909)  (-16.604, -19.911, -12.905)  ( 0.02,  0.13,  0.03)
163:     bond    ( -3.330, -18.505,   2.198)  ( -3.329, -18.479,   2.198)  ( 0.02,  0.14,  0.01)
163:     angle   (-13.113,  -0.092, -20.627)  (-13.110,  -0.092, -20.624)  ( 0.02,  0.00,  0.02)
163:     torsion (  0.001,  -0.003,  -0.022)  (  0.001,  -0.003,  -0.022)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.167,  -1.338,   5.543)  ( -0.167,  -1.338,   5.543)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 25       ( 11.683,   5.989,  18.013)  ( 11.692,   5.996,  18.033)  ( 0.07,  0.12,  0.11)
163:     bond    ( 19.057,  11.460,  31.582)  ( 19.064,  11.462,  31.601)  ( 0.03,  0.02,  0.06)
163:     angle   (-13.425,  45.799,  -8.517)  (-13.423,  45.803,  -8.516)  ( 0.02,  0.01,  0.01)
163:     torsion ( -0.014,  -0.022,   0.017)  ( -0.014,  -0.022,   0.017)  ( 0.00,  0.00,  0.00)
163:     vdw     (  6.066, -51.248,  -5.069)  (  6.066, -51.246,  -5.069)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 26       (  0.724, -29.231,  -9.886)  (  0.729, -29.220,  -9.867)  ( 0.37,  0.04,  0.20)
163:     bond    (  4.372,  -9.327, -14.621)  (  4.374,  -9.320, -14.603)  ( 0.04,  0.08,  0.13)
163:     angle   ( -0.345, -31.995,  20.315)  ( -0.342, -31.992,  20.316)  ( 0.13,  0.01,  0.00)
163:     torsion ( -6.009,   0.002,  -1.801)  ( -6.009,   0.002,  -1.801)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.706,  12.090, -13.779)  (  2.706,  12.090, -13.778)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 27       (-25.773,  20.839,  -2.648)  (-25.754,  20.850,  -2.643)  ( 0.07,  0.06,  0.18)
163:     bond    (-26.324,  19.256,  -7.192)  (-26.307,  19.266,  -7.191)  ( 0.07,  0.05,  0.02)
163:     angle   ( -1.773,  -2.324,   0.259)  ( -1.772,  -2.322,   0.263)  ( 0.07,  0.11,  0.09)
163:     torsion (  2.286,   4.628,   4.034)  (  2.286,   4.628,   4.034)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.038,  -0.721,   0.252)  (  0.038,  -0.721,   0.252)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 28       ( 31.717,  10.764,   4.950)  ( 31.735,  10.776,   4.955)  ( 0.06,  0.11,  0.10)
163:     bond    ( 24.691,  19.128,   8.139)  ( 24.707,  19.138,   8.140)  ( 0.07,  0.05,  0.02)
163:     angle   (  4.802,  -5.862,  -0.807)  (  4.803,  -5.860,  -0.803)  ( 0.04,  0.04,  0.26)
163:     torsion (  3.079,  -3.340,  -1.493)  (  3.079,  -3.340,  -1.494)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.855,   0.838,  -0.889)  ( -0.855,   0.838,  -0.889)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 29       ( 17.273,  -9.621,   3.628)  ( 17.287,  -9.611,   3.639)  ( 0.08,  0.11,  0.30)
163:     bond    ( 27.772, -19.828,  22.921)  ( 27.785, -19.821,  22.930)  ( 0.05,  0.03,  0.04)
163:     angle   ( -7.655, -43.113, -27.996)  ( -7.653, -43.111, -27.993)  ( 0.03,  0.01,  0.01)
163:     torsion ( -0.003,   0.001,   0.005)  ( -0.003,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.841,  53.319,   8.698)  ( -2.841,  53.320,   8.698)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 30       (  8.872,   4.980, -31.183)  (  8.880,   4.987, -31.164)  ( 0.10,  0.15,  0.06)
163:     bond    ( 14.300,  12.483, -24.570)  ( 14.306,  12.488, -24.553)  ( 0.04,  0.04,  0.07)
163:     angle   ( -5.491,  -6.853,  -6.683)  ( -5.488,  -6.850,  -6.681)  ( 0.05,  0.05,  0.02)
163:     torsion ( -0.006,   0.007,   0.000)  ( -0.006,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.068,  -0.657,   0.070)  (  0.068,  -0.657,   0.070)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 31       (-38.803,  21.558,  -3.759)  (-38.796,  21.575,  -3.747)  ( 0.02,  0.08,  0.31)
163:     bond    ( -9.767,  20.602,  16.092)  ( -9.764,  20.617,  16.101)  ( 0.03,  0.07,  0.06)
163:     angle   (-39.187,   1.263, -25.384)  (-39.183,   1.265, -25.382)  ( 0.01,  0.14,  0.01)
163:     torsion (  0.002,  -0.008,   0.011)  (  0.002,  -0.008,   0.011)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 10.149,  -0.299,   5.522)  ( 10.150,  -0.299,   5.522)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 32       ( -1.413, -33.007,  -7.791)  ( -1.399, -32.990,  -7.786)  ( 0.98,  0.05,  0.06)
163:     bond    (-17.356, -19.718,  -3.615)  (-17.344, -19.703,  -3.614)  ( 0.07,  0.08,  0.01)
163:     angle   ( 25.951, -21.946,  -4.917)  ( 25.953, -21.945,  -4.913)  ( 0.01,  0.01,  0.08)
163:     torsion (  0.013,   0.004,  -0.083)  (  0.013,   0.004,  -0.083)  ( 0.00,  0.00,  0.00)
163:     vdw     (-10.021,   8.654,   0.824)  (-10.021,   8.654,   0.824)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 33       ( 14.342,  25.091,  24.049)  ( 14.347,  25.101,  24.069)  ( 0.04,  0.04,  0.08)
163:     bond    ( -8.159,  14.049,  22.197)  ( -8.157,  14.056,  22.215)  ( 0.03,  0.05,  0.08)
163:     angle   ( 25.372,  11.763,   1.871)  ( 25.375,  11.766,   1.872)  ( 0.01,  0.03,  0.07)
163:     torsion ( -0.032,  -0.072,   0.034)  ( -0.032,  -0.072,   0.034)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.839,  -0.649,  -0.052)  ( -2.839,  -0.649,  -0.052)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 34       ( 14.982,  24.879, -21.566)  ( 14.985,  24.891, -21.547)  ( 0.02,  0.05,  0.09)
163:     bond    ( -1.186,  18.722, -25.133)  ( -1.186,  18.732, -25.115)  ( 0.01,  0.05,  0.07)
163:     angle   ( 16.567,   6.266,   3.891)  ( 16.570,   6.268,   3.893)  ( 0.02,  0.04,  0.04)
163:     torsion (  0.018,   0.066,   0.048)  (  0.018,   0.066,   0.048)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.417,  -0.174,  -0.372)  ( -0.417,  -0.174,  -0.372)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 35       (  4.828,   0.430,   0.212)  (  4.842,   0.451,   0.213)  ( 0.29,  0.89,  0.02)
163:     bond    (  1.611,   2.181,  -0.163)  (  1.621,   2.200,  -0.162)  ( 0.63,  0.86,  0.00)
163:     angle   (  3.124,  -2.253,   0.734)  (  3.127,  -2.251,   0.734)  ( 0.12,  0.08,  0.00)
163:     torsion (  0.021,  -0.030,  -0.197)  (  0.021,  -0.030,  -0.196)  ( 0.00,  0.00,  0.02)
163:     vdw     ( -0.881,   1.566,  -0.324)  ( -0.881,   1.566,  -0.324)  ( 0.00,  0.00,  0.00)
163:     electro (  0.953,  -1.035,   0.162)  (  0.953,  -1.035,   0.162)  ( 0.00,  0.00,  0.00)
163: 36       (-38.521,   8.137,  -5.650)  (-38.493,   8.143,  -5.648)  ( 0.07,  0.08,  0.03)
163:     bond    (-41.790,   5.311,  -5.340)  (-41.762,   5.312,  -5.339)  ( 0.07,  0.01,  0.01)
163:     angle   (  0.354,   2.444,  -0.335)  (  0.354,   2.449,  -0.335)  ( 0.00,  0.22,  0.00)
163:     torsion (  0.022,  -0.032,  -0.207)  (  0.022,  -0.032,  -0.206)  ( 0.00,  0.00,  0.01)
163:     vdw     (  2.141,   0.498,   0.160)  (  2.141,   0.498,   0.160)  ( 0.00,  0.01,  0.00)
163:     electro (  0.751,  -0.084,   0.071)  (  0.751,  -0.084,   0.071)  ( 0.00,  0.00,  0.00)
163: 37       (-21.113,  33.562,  -7.402)  (-21.104,  33.587,  -7.401)  ( 0.05,  0.07,  0.03)
163:     bond    (-17.334,  38.426,  -7.733)  (-17.329,  38.450,  -7.732)  ( 0.03,  0.06,  0.01)
163:     angle   ( -3.889,  -1.784,  -0.159)  ( -3.885,  -1.783,  -0.159)  ( 0.12,  0.05,  0.00)
163:     torsion ( -0.003,   0.004,   0.027)  ( -0.003,   0.004,   0.028)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.176,  -2.175,   0.348)  (  0.176,  -2.175,   0.348)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.062,  -0.910,   0.114)  ( -0.062,  -0.910,   0.114)  ( 0.00,  0.00,  0.00)
163: 38       ( -5.431,  -0.451,   0.024)  ( -5.417,  -0.431,   0.025)  ( 0.26,  0.91,  0.00)
163:     bond    ( -1.879,  -2.467,   0.180)  ( -1.868,  -2.448,   0.180)  ( 0.57,  0.74,  0.00)
163:     angle   ( -0.324,   0.244,   0.014)  ( -0.321,   0.246,   0.014)  ( 0.11,  0.05,  0.00)
163:     torsion ( -0.045,   0.066,   0.437)  ( -0.045,   0.066,   0.437)  ( 0.00,  0.00,  0.03)
163:     vdw     ( -1.909,   0.542,  -0.273)  ( -1.909,   0.542,  -0.273)  ( 0.00,  0.00,  0.00)
163:     electro ( -1.274,   1.163,  -0.334)  ( -1.274,   1.163,  -0.334)  ( 0.00,  0.00,  0.00)
163: 39       (204.595, -232.813,  17.423)  (204.607, -232.783,  17.424)  ( 0.01,  0.01,  0.00)
163:     bond    (-25.243, -90.642,   9.182)  (-25.240, -90.615,   9.182)  ( 0.01,  0.03,  0.01)
163:     angle   ( 46.593, -12.125,   8.430)  ( 46.598, -12.125,   8.430)  ( 0.01,  0.00,  0.00)
163:     torsion (  0.323,  -0.400,  -3.056)  (  0.323,  -0.400,  -3.055)  ( 0.00,  0.00,  0.02)
163:     vdw     (176.635, -118.304,   3.193)  (176.640, -118.302,   3.193)  ( 0.00,  0.00,  0.02)
163:     electro (  6.286, -11.341,  -0.326)  (  6.286, -11.341,  -0.326)  ( 0.00,  0.00,  0.00)
163: ok 2 # gradients 
163: ok 3 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       ( 25.189,  13.959,   7.126)  ( 25.262,  14.010,   7.142)  ( 0.29,  0.36,  0.21)
163:     bond    ( 58.080,   0.609,  15.368)  ( 58.147,   0.652,  15.373)  ( 0.12,  2.59,  0.03)
163:     angle   (-33.014,  13.257,  -8.293)  (-33.009,  13.265,  -8.292)  ( 0.02,  0.06,  0.00)
163:     torsion ( -0.007,  -0.001,   0.014)  ( -0.006,  -0.001,   0.024)  ( 0.00,  0.00,  0.01)
163:     vdw     (  0.130,   0.094,   0.037)  (  0.130,   0.094,   0.037)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       (-135.053, -156.995, -40.782)  (-134.971, -156.926, -40.765)  ( 0.06,  0.04,  0.04)
163:     bond    (-168.640, -135.476, -48.829)  (-168.564, -135.417, -48.824)  ( 0.04,  0.04,  0.01)
163:     angle   ( 33.577, -21.520,   8.093)  ( 33.584, -21.510,   8.096)  ( 0.02,  0.04,  0.04)
163:     torsion (  0.009,   0.001,  -0.046)  (  0.010,   0.001,  -0.037)  ( 0.00,  0.00,  0.04)
163:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       ( -0.629, -24.659,  -0.927)  ( -0.618, -24.639,  -0.924)  ( 0.65,  0.08,  0.29)
163:     bond    (-10.017, -15.265,  -3.131)  (-10.008, -15.245,  -3.131)  ( 0.08,  0.13,  0.02)
163:     angle   ( 13.893,  -9.812,   3.354)  ( 13.895,  -9.811,   3.354)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.007,  -0.001,   0.024)  ( -0.007,  -0.001,   0.027)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -3.372,   0.340,  -0.879)  ( -3.372,   0.340,  -0.879)  ( 0.00,  0.00,  0.00)
163:     electro ( -1.126,   0.078,  -0.295)  ( -1.126,   0.078,  -0.295)  ( 0.00,  0.00,  0.00)
163:  4       ( 10.334,  23.137,   3.434)  ( 10.342,  23.160,   3.437)  ( 0.08,  0.10,  0.08)
163:     bond    ( -6.152,  11.706,  -1.247)  ( -6.146,  11.728,  -1.247)  ( 0.10,  0.19,  0.02)
163:     angle   ( 19.924,  11.039,   5.614)  ( 19.926,  11.039,   5.614)  ( 0.01,  0.01,  0.00)
163:     torsion (  0.009,   0.001,  -0.036)  (  0.009,   0.001,  -0.033)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -2.908,  -0.086,  -0.770)  ( -2.908,  -0.086,  -0.770)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.539,   0.478,  -0.127)  ( -0.539,   0.478,  -0.127)  ( 0.00,  0.00,  0.00)
163:  5       (  2.550, -33.208,  -0.403)  (  2.558, -33.185,  -0.401)  ( 0.31,  0.07,  0.10)
163:     bond    ( 12.210, -24.825,   2.432)  ( 12.215, -24.802,   2.432)  ( 0.05,  0.09,  0.00)
163:     angle   (-14.826,  -7.709,  -4.160)  (-14.824,  -7.709,  -4.159)  ( 0.01,  0.01,  0.00)
163:     torsion (  0.004,   0.000,  -0.017)  (  0.004,   0.000,  -0.015)  ( 0.00,  0.00,  0.00)
163:     vdw     (  3.498,  -0.119,   0.920)  (  3.498,  -0.119,   0.920)  ( 0.00,  0.00,  0.00)
163:     electro (  1.664,  -0.556,   0.422)  (  1.664,  -0.556,   0.422)  ( 0.00,  0.00,  0.00)
163:  6       (117.977, 192.469,  37.516)  (118.027, 192.554,  37.534)  ( 0.04,  0.04,  0.05)
163:     bond    (128.247, 182.517,  39.697)  (128.287, 182.596,  39.700)  ( 0.03,  0.04,  0.01)
163:     angle   (-13.318,   9.894,  -3.023)  (-13.308,   9.900,  -3.010)  ( 0.08,  0.06,  0.43)
163:     torsion ( -0.009,  -0.001,   0.033)  ( -0.009,  -0.001,   0.035)  ( 0.00,  0.00,  0.00)
163:     vdw     (  3.057,   0.060,   0.809)  (  3.057,   0.060,   0.809)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       (-20.624, -15.019,  -6.028)  (-20.600, -14.975,  -6.022)  ( 0.12,  0.30,  0.10)
163:     bond    (-13.952, -19.555,  -4.305)  (-13.930, -19.511,  -4.303)  ( 0.16,  0.22,  0.05)
163:     angle   ( -6.267,   4.824,  -1.607)  ( -6.264,   4.826,  -1.603)  ( 0.04,  0.03,  0.25)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.406,  -0.289,  -0.116)  ( -0.406,  -0.289,  -0.116)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 4 # gradients 
163: ok 5 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       ( 19.613,  39.037, -65.938)  ( 19.662,  39.085, -65.888)  ( 0.25,  0.12,  0.07)
163:     bond    ( 35.363,   4.708,  -8.226)  ( 35.398,   4.745,  -8.190)  ( 0.10,  0.78,  0.44)
163:     angle   (-11.879,  31.622, -54.395)  (-11.867,  31.633, -54.382)  ( 0.10,  0.04,  0.02)
163:     torsion ( -0.001,   0.614,   0.357)  ( -0.001,   0.615,   0.357)  ( 0.00,  0.03,  0.01)
163:     vdw     ( -3.869,   2.093,  -3.674)  ( -3.868,   2.093,  -3.674)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       (119.205, -77.444, 130.932)  (119.268, -77.418, 130.999)  ( 0.05,  0.03,  0.05)
163:     bond    ( 91.119, -30.475,  52.665)  ( 91.170, -30.454,  52.724)  ( 0.06,  0.07,  0.11)
163:     angle   ( 28.099, -45.486,  79.118)  ( 28.111, -45.483,  79.125)  ( 0.04,  0.01,  0.01)
163:     torsion ( -0.013,  -1.484,  -0.850)  ( -0.013,  -1.481,  -0.849)  ( 0.00,  0.18,  0.08)
163:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       (-73.250, -10.850,  16.560)  (-73.232, -10.836,  16.599)  ( 0.02,  0.13,  0.24)
163:     bond    (-24.487, -24.043,  41.291)  (-24.473, -24.030,  41.330)  ( 0.06,  0.05,  0.09)
163:     angle   (-50.205,  12.814, -22.277)  (-50.201,  12.815, -22.276)  ( 0.01,  0.00,  0.00)
163:     torsion (  0.001,  -0.781,  -0.453)  (  0.001,  -0.780,  -0.453)  ( 0.00,  0.05,  0.01)
163:     vdw     (  0.738,   2.422,  -4.194)  (  0.738,   2.422,  -4.194)  ( 0.01,  0.00,  0.00)
163:     electro (  0.704,  -1.262,   2.192)  (  0.704,  -1.262,   2.192)  ( 0.00,  0.00,  0.00)
163:  4       ( 44.508,  37.050, -48.266)  ( 44.565,  37.070, -48.218)  ( 0.13,  0.05,  0.10)
163:     bond    (-23.001,  31.457, -52.235)  (-22.956,  31.470, -52.196)  ( 0.20,  0.04,  0.07)
163:     angle   ( 65.099,  -0.277,   0.177)  ( 65.110,  -0.275,   0.184)  ( 0.02,  0.07,  0.14)
163:     torsion (  0.043,   6.051,   3.476)  (  0.043,   6.055,   3.477)  ( 0.00,  0.07,  0.04)
163:     vdw     (  2.367,  -0.181,   0.316)  (  2.367,  -0.181,   0.316)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       ( -5.312,  28.754, -58.081)  ( -5.302,  28.761, -58.062)  ( 0.19,  0.03,  0.03)
163:     bond    ( 24.769,  25.591, -45.408)  ( 24.774,  25.597, -45.389)  ( 0.02,  0.02,  0.04)
163:     angle   (-37.301,   8.972, -15.298)  (-37.296,   8.972, -15.297)  ( 0.01,  0.00,  0.00)
163:     torsion ( -0.040,  -3.223,  -1.839)  ( -0.040,  -3.222,  -1.839)  ( 0.00,  0.04,  0.02)
163:     vdw     (  7.168,  -3.099,   5.355)  (  7.168,  -3.099,   5.355)  ( 0.00,  0.00,  0.00)
163:     electro (  0.092,   0.513,  -0.892)  (  0.092,   0.513,  -0.892)  ( 0.00,  0.00,  0.00)
163:  6       (-66.742,  -5.678,   5.781)  (-66.712,  -5.676,   5.785)  ( 0.04,  0.05,  0.08)
163:     bond    (-68.080,  -2.555,   3.484)  (-68.050,  -2.555,   3.485)  ( 0.04,  0.01,  0.01)
163:     angle   (  0.031,  -0.395,   0.321)  (  0.031,  -0.394,   0.324)  ( 0.00,  0.05,  0.12)
163:     torsion (  0.009,  -1.188,  -0.694)  (  0.009,  -1.187,  -0.694)  ( 0.00,  0.08,  0.02)
163:     vdw     (  2.093,  -2.289,   3.970)  (  2.093,  -2.289,   3.971)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.795,   0.749,  -1.300)  ( -0.795,   0.749,  -1.300)  ( 0.00,  0.00,  0.00)
163:  7       (-12.100, -37.172,   8.219)  (-12.095, -37.146,   8.223)  ( 0.04,  0.07,  0.05)
163:     bond    (-10.745, -36.692,   0.762)  (-10.743, -36.666,   0.762)  ( 0.02,  0.07,  0.01)
163:     angle   (  1.275,  -0.185,   9.111)  (  1.278,  -0.185,   9.115)  ( 0.24,  0.00,  0.05)
163:     torsion ( -0.001,   0.000,  -0.007)  ( -0.001,   0.000,  -0.007)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.629,  -0.295,  -1.648)  ( -2.629,  -0.295,  -1.648)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (-12.272,  11.176,  36.423)  (-12.267,  11.185,  36.444)  ( 0.04,  0.08,  0.06)
163:     bond    (-10.895,  17.429,  32.321)  (-10.893,  17.434,  32.341)  ( 0.02,  0.03,  0.06)
163:     angle   (  1.384,  -7.884,   4.714)  (  1.387,  -7.880,   4.715)  ( 0.22,  0.04,  0.03)
163:     torsion (  0.001,  -0.006,   0.003)  (  0.001,  -0.006,   0.003)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.762,   1.636,  -0.616)  ( -2.762,   1.636,  -0.616)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  9       (-13.893,  14.965, -25.900)  (-13.885,  14.974, -25.882)  ( 0.06,  0.06,  0.07)
163:     bond    (-14.232,  14.453, -24.883)  (-14.227,  14.458, -24.866)  ( 0.04,  0.04,  0.07)
163:     angle   (  3.445,   0.795,  -1.510)  (  3.448,   0.798,  -1.509)  ( 0.08,  0.26,  0.10)
163:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -3.106,  -0.288,   0.489)  ( -3.106,  -0.288,   0.489)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 6 # gradients 
163: ok 7 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (-25.630, -28.431,  14.154)  (-25.582, -28.381,  14.202)  ( 0.19,  0.18,  0.34)
163:     bond    (-19.895,   7.377, -11.925)  (-19.860,   7.414, -11.888)  ( 0.17,  0.50,  0.30)
163:     angle   (-14.896, -48.982,   7.455)  (-14.883, -48.968,   7.466)  ( 0.08,  0.03,  0.15)
163:     torsion ( -5.124,   7.031,  17.238)  ( -5.124,   7.031,  17.239)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 14.285,   6.143,   1.385)  ( 14.285,   6.143,   1.385)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       (-128.910, 113.784, -158.185)  (-128.872, 113.809, -158.176)  ( 0.03,  0.02,  0.01)
163:     bond    (-121.810, -58.450, -11.109)  (-121.773, -58.436, -11.104)  ( 0.03,  0.02,  0.05)
163:     angle   (-22.250, 193.608, -95.414)  (-22.250, 193.620, -95.412)  ( 0.00,  0.01,  0.00)
163:     torsion ( 15.151, -21.375, -51.661)  ( 15.151, -21.375, -51.660)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       ( 25.701, -34.004, -11.496)  ( 25.706, -33.978, -11.492)  ( 0.02,  0.08,  0.04)
163:     bond    ( -1.395, -30.167,  -5.745)  ( -1.395, -30.140,  -5.745)  ( 0.01,  0.09,  0.01)
163:     angle   (-26.840,   0.424,   4.286)  (-26.837,   0.424,   4.289)  ( 0.01,  0.01,  0.09)
163:     torsion (  8.044,   1.903, -11.939)  (  8.044,   1.903, -11.939)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 45.892,  -6.165,   1.903)  ( 45.893,  -6.165,   1.903)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       ( 29.422,  24.486,   0.356)  ( 29.443,  24.493,   0.363)  ( 0.07,  0.03,  0.25)
163:     bond    ( 29.102,  11.932, -12.746)  ( 29.123,  11.935, -12.742)  ( 0.07,  0.03,  0.03)
163:     angle   (  0.008,   2.865,   2.705)  (  0.009,   2.868,   2.708)  ( 0.00,  0.12,  0.12)
163:     torsion (  0.559,   9.747,  10.407)  (  0.559,   9.747,  10.407)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.248,  -0.058,  -0.010)  ( -0.248,  -0.058,  -0.010)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-14.201, -18.014,  39.388)  (-14.197, -18.010,  39.416)  ( 0.02,  0.02,  0.07)
163:     bond    ( -0.398,   5.832,  34.590)  ( -0.398,   5.833,  34.617)  ( 0.01,  0.01,  0.08)
163:     angle   ( -6.363, -12.617,   2.052)  ( -6.359, -12.613,   2.052)  ( 0.05,  0.03,  0.01)
163:     torsion ( -8.696, -11.525,   1.842)  ( -8.696, -11.525,   1.842)  ( 0.00,  0.00,  0.00)
163:     vdw     (  1.256,   0.295,   0.904)  (  1.256,   0.295,   0.904)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (189.902, -122.303, 155.949)  (189.974, -122.252, 155.970)  ( 0.04,  0.04,  0.01)
163:     bond    (103.167,  13.570,  25.866)  (103.234,  13.611,  25.884)  ( 0.06,  0.30,  0.07)
163:     angle   (105.259, -154.157,  97.805)  (105.264, -154.146,  97.807)  ( 0.00,  0.01,  0.00)
163:     torsion (-10.098,  14.460,  34.616)  (-10.098,  14.460,  34.618)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -8.426,   3.824,  -2.338)  ( -8.426,   3.824,  -2.338)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       ( 28.297,  20.835,   1.996)  ( 28.342,  20.848,   2.008)  ( 0.16,  0.06,  0.60)
163:     bond    ( 12.873,  -5.976,   6.570)  ( 12.917,  -5.967,   6.582)  ( 0.34,  0.16,  0.18)
163:     angle   ( 15.468,  26.087,  -6.706)  ( 15.469,  26.090,  -6.706)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.587,   0.850,   1.922)  ( -0.587,   0.850,   1.922)  ( 0.00,  0.01,  0.02)
163:     vdw     (  0.543,  -0.126,   0.210)  (  0.543,  -0.126,   0.210)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (-104.818,  43.447, -42.297)  (-104.813,  43.471, -42.291)  ( 0.00,  0.06,  0.01)
163:     bond    ( -1.848,  55.726, -25.609)  ( -1.848,  55.750, -25.603)  ( 0.02,  0.04,  0.02)
163:     angle   (-50.415,  -7.276, -12.204)  (-50.413,  -7.275, -12.204)  ( 0.00,  0.00,  0.00)
163:     torsion (  0.751,  -1.091,  -2.429)  (  0.751,  -1.091,  -2.429)  ( 0.00,  0.01,  0.01)
163:     vdw     (-53.305,  -3.913,  -2.055)  (-53.304,  -3.913,  -2.055)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 8 # gradients 
163: ok 9 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (105.440, -149.985, 260.331)  (105.486, -149.942, 260.360)  ( 0.04,  0.03,  0.01)
163:     bond    (105.838, -149.765, 260.004)  (105.879, -149.728, 260.027)  ( 0.04,  0.02,  0.01)
163:     angle   ( -0.389,  -0.217,   0.334)  ( -0.384,  -0.211,   0.340)  ( 0.21,  0.12,  0.21)
163:     torsion ( -0.009,  -0.003,  -0.007)  ( -0.009,  -0.003,  -0.007)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       (-90.439,   1.612,  -3.158)  (-90.384,   1.663,  -3.108)  ( 0.06,  3.15,  1.59)
163:     bond    (-96.521,  -0.000,   0.010)  (-96.477,   0.040,   0.049)  ( 0.05,  0.00,  0.04)
163:     angle   (  0.198,  -0.177,  -0.044)  (  0.210,  -0.166,  -0.033)  ( 0.22,  0.20,  0.05)
163:     torsion ( -0.000,   0.004,  -0.001)  (  0.000,   0.004,  -0.002)  ( 0.00,  0.00,  0.00)
163:     vdw     (  5.883,   1.786,  -3.123)  (  5.883,   1.786,  -3.122)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       ( 17.766,  85.074,  -3.307)  ( 17.818,  85.129,  -3.256)  ( 0.29,  0.06,  1.52)
163:     bond    ( 31.918,  90.924,  -0.196)  ( 31.958,  90.967,  -0.157)  ( 0.13,  0.05,  0.78)
163:     angle   ( -0.248,  -0.340,  -0.003)  ( -0.237,  -0.328,   0.008)  ( 0.28,  0.38,  0.00)
163:     torsion (  0.004,  -0.001,   0.009)  (  0.004,  -0.001,   0.009)  ( 0.00,  0.00,  0.00)
163:     vdw     (-13.908,  -5.509,  -3.117)  (-13.907,  -5.509,  -3.117)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       ( 17.700, -39.682, -75.828)  ( 17.751, -39.631, -75.775)  ( 0.29,  0.13,  0.07)
163:     bond    ( 32.121, -45.510, -79.026)  ( 32.161, -45.470, -78.984)  ( 0.12,  0.09,  0.05)
163:     angle   ( -0.358,   0.352,  -0.032)  ( -0.347,   0.363,  -0.021)  ( 0.40,  0.38,  0.03)
163:     torsion ( -0.001,   0.004,  -0.002)  ( -0.001,   0.004,  -0.002)  ( 0.00,  0.00,  0.00)
163:     vdw     (-14.062,   5.472,   3.232)  (-14.062,   5.473,   3.232)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-44.578, 218.066,   0.111)  (-44.571, 218.092,   0.116)  ( 0.02,  0.01,  0.05)
163:     bond    (-74.014, 208.993,  -0.001)  (-74.010, 209.018,   0.000)  ( 0.01,  0.01,  0.00)
163:     angle   ( -0.340,  -0.120,  -0.061)  ( -0.338,  -0.120,  -0.057)  ( 0.09,  0.00,  0.02)
163:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 29.776,   9.193,   0.174)  ( 29.777,   9.193,   0.174)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (-74.306, -104.570, 181.478)  (-74.299, -104.561, 181.498)  ( 0.01,  0.01,  0.01)
163:     bond    (-73.876, -104.552, 181.024)  (-73.872, -104.545, 181.043)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.043,   0.173,   0.119)  (  0.046,   0.176,   0.120)  ( 0.01,  0.05,  0.01)
163:     torsion ( -0.000,   0.002,   0.001)  (  0.000,   0.002,   0.001)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.473,  -0.193,   0.334)  ( -0.473,  -0.193,   0.334)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       (-43.647, -109.104, -189.246)  (-43.639, -109.094, -189.226)  ( 0.02,  0.01,  0.01)
163:     bond    (-73.841, -104.519, -181.111)  (-73.837, -104.512, -181.092)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.080,   0.216,  -0.161)  (  0.083,   0.219,  -0.160)  ( 0.02,  0.06,  0.02)
163:     torsion ( -0.000,  -0.003,   0.002)  (  0.000,  -0.003,   0.002)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 30.115,  -4.798,  -7.975)  ( 30.116,  -4.798,  -7.975)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (221.220,  -6.123,  -3.930)  (221.248,  -6.119,  -3.925)  ( 0.01,  0.07,  0.12)
163:     bond    (221.839,  -0.001,  -0.001)  (221.867,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
163:     angle   ( -0.000,   0.445,  -0.090)  (  0.000,   0.448,  -0.086)  ( 0.00,  0.13,  0.03)
163:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.619,  -6.567,  -3.838)  ( -0.619,  -6.567,  -3.838)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  9       (-82.802,  99.667, 177.060)  (-82.795,  99.677, 177.080)  ( 0.01,  0.01,  0.01)
163:     bond    (-73.876, 104.538, 181.024)  (-73.872, 104.545, 181.043)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.231,  -0.092,   0.146)  (  0.235,  -0.090,   0.148)  ( 0.07,  0.02,  0.02)
163:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -9.158,  -4.779,  -4.111)  ( -9.158,  -4.778,  -4.111)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 10       (-82.262,  92.018, -179.835)  (-82.254,  92.027, -179.815)  ( 0.01,  0.01,  0.01)
163:     bond    (-73.757, 104.367, -180.905)  (-73.753, 104.374, -180.886)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.291,  -0.136,  -0.198)  (  0.295,  -0.133,  -0.197)  ( 0.09,  0.03,  0.02)
163:     torsion (  0.003,  -0.001,  -0.002)  (  0.003,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -8.798, -12.213,   1.270)  ( -8.798, -12.212,   1.270)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       (221.224,   6.299,   3.345)  (221.252,   6.304,   3.350)  ( 0.01,  0.08,  0.13)
163:     bond    (221.840,  -0.059,  -0.118)  (221.868,  -0.058,  -0.117)  ( 0.01,  0.01,  0.01)
163:     angle   ( -0.000,  -0.255,  -0.307)  ( -0.000,  -0.251,  -0.304)  ( 0.00,  0.09,  0.10)
163:     torsion ( -0.000,   0.003,  -0.002)  ( -0.000,   0.003,  -0.002)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.616,   6.610,   3.772)  ( -0.616,   6.610,   3.772)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (-82.670, 109.687, -169.760)  (-82.663, 109.697, -169.740)  ( 0.01,  0.01,  0.01)
163:     bond    (-73.962, 104.530, -181.062)  (-73.958, 104.537, -181.043)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.196,   0.175,   0.020)  (  0.200,   0.178,   0.021)  ( 0.06,  0.05,  0.00)
163:     torsion ( -0.004,  -0.003,   0.000)  ( -0.004,  -0.002,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -8.901,   4.984,  11.282)  ( -8.901,   4.984,  11.282)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 13       (-82.957, -203.268,   2.436)  (-82.949, -203.243,   2.441)  ( 0.01,  0.01,  0.17)
163:     bond    (-73.956, -209.192,   0.116)  (-73.952, -209.167,   0.117)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.236,  -0.085,   0.219)  (  0.240,  -0.085,   0.222)  ( 0.08,  0.00,  0.07)
163:     torsion (  0.006,  -0.002,   0.004)  (  0.006,  -0.002,   0.004)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -9.243,   6.011,   2.098)  ( -9.243,   6.012,   2.098)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 10 # gradients 
163: ok 11 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (-352.758, 498.355, -863.403)  (-352.737, 498.374, -863.393)  ( 0.01,  0.00,  0.00)
163:     bond    (-352.351, 498.577, -863.775)  (-352.336, 498.590, -863.772)  ( 0.00,  0.00,  0.00)
163:     angle   ( -0.390,  -0.216,   0.386)  ( -0.384,  -0.210,   0.392)  ( 0.22,  0.13,  0.25)
163:     torsion ( -0.018,  -0.006,  -0.014)  ( -0.017,  -0.006,  -0.013)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       (1285.827,   1.609,  -3.175)  (1285.867,   1.655,  -3.129)  ( 0.00,  2.87,  1.44)
163:     bond    (1279.745,   0.004,   0.014)  (1279.774,   0.040,   0.049)  ( 0.00,  0.02,  0.05)
163:     angle   (  0.198,  -0.189,  -0.064)  (  0.210,  -0.178,  -0.053)  ( 0.22,  0.21,  0.07)
163:     torsion ( -0.000,   0.008,  -0.003)  (  0.000,   0.008,  -0.003)  ( 0.00,  0.00,  0.00)
163:     vdw     (  5.883,   1.786,  -3.123)  (  5.883,   1.786,  -3.122)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       (-441.622, -1212.197,  -3.313)  (-441.575, -1212.156,  -3.266)  ( 0.01,  0.00,  1.39)
163:     bond    (-427.484, -1206.342,  -0.192)  (-427.450, -1206.312,  -0.157)  ( 0.01,  0.00,  0.67)
163:     angle   ( -0.237,  -0.343,  -0.023)  ( -0.226,  -0.332,  -0.012)  ( 0.27,  0.39,  0.02)
163:     torsion (  0.008,  -0.003,   0.019)  (  0.008,  -0.003,   0.019)  ( 0.00,  0.00,  0.00)
163:     vdw     (-13.908,  -5.509,  -3.117)  (-13.907,  -5.509,  -3.117)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (-440.935, 609.305, 1047.967)  (-440.889, 609.350, 1048.009)  ( 0.01,  0.01,  0.00)
163:     bond    (-426.503, 603.459, 1044.784)  (-426.468, 603.492, 1044.815)  ( 0.01,  0.01,  0.00)
163:     angle   ( -0.369,   0.367,  -0.045)  ( -0.358,   0.378,  -0.034)  ( 0.42,  0.40,  0.05)
163:     torsion ( -0.002,   0.007,  -0.005)  ( -0.001,   0.007,  -0.005)  ( 0.00,  0.00,  0.00)
163:     vdw     (-14.062,   5.472,   3.232)  (-14.062,   5.473,   3.232)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-44.578, 218.066,   0.111)  (-44.571, 218.092,   0.115)  ( 0.02,  0.01,  0.05)
163:     bond    (-74.014, 208.993,  -0.001)  (-74.010, 209.018,   0.000)  ( 0.01,  0.01,  0.00)
163:     angle   ( -0.340,  -0.120,  -0.061)  ( -0.338,  -0.120,  -0.057)  ( 0.09,  0.00,  0.02)
163:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 29.776,   9.193,   0.174)  ( 29.777,   9.193,   0.174)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (-74.306, -104.569, 181.479)  (-74.299, -104.559, 181.499)  ( 0.01,  0.01,  0.01)
163:     bond    (-73.876, -104.552, 181.024)  (-73.872, -104.545, 181.043)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.043,   0.173,   0.119)  (  0.046,   0.176,   0.120)  ( 0.01,  0.05,  0.01)
163:     torsion ( -0.000,   0.003,   0.002)  (  0.000,   0.003,   0.002)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.473,  -0.193,   0.334)  ( -0.473,  -0.193,   0.334)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       (-43.647, -109.106, -189.244)  (-43.639, -109.096, -189.224)  ( 0.02,  0.01,  0.01)
163:     bond    (-73.841, -104.519, -181.111)  (-73.837, -104.512, -181.092)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.080,   0.216,  -0.161)  (  0.083,   0.219,  -0.160)  ( 0.02,  0.06,  0.02)
163:     torsion ( -0.000,  -0.005,   0.003)  (  0.000,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 30.115,  -4.798,  -7.975)  ( 30.116,  -4.798,  -7.975)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (221.220,  -6.123,  -3.930)  (221.248,  -6.119,  -3.925)  ( 0.01,  0.07,  0.13)
163:     bond    (221.839,  -0.001,  -0.001)  (221.867,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
163:     angle   ( -0.000,   0.445,  -0.090)  (  0.000,   0.448,  -0.086)  ( 0.00,  0.13,  0.03)
163:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.619,  -6.567,  -3.838)  ( -0.619,  -6.567,  -3.838)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  9       (-82.802,  99.667, 177.060)  (-82.795,  99.677, 177.080)  ( 0.01,  0.01,  0.01)
163:     bond    (-73.876, 104.538, 181.024)  (-73.872, 104.545, 181.043)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.231,  -0.092,   0.146)  (  0.235,  -0.090,   0.148)  ( 0.07,  0.02,  0.02)
163:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -9.158,  -4.779,  -4.111)  ( -9.158,  -4.778,  -4.111)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 10       (-82.259,  92.017, -179.837)  (-82.251,  92.026, -179.817)  ( 0.01,  0.01,  0.01)
163:     bond    (-73.757, 104.367, -180.905)  (-73.753, 104.374, -180.886)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.291,  -0.136,  -0.198)  (  0.295,  -0.133,  -0.197)  ( 0.09,  0.03,  0.02)
163:     torsion (  0.006,  -0.002,  -0.003)  (  0.006,  -0.002,  -0.003)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -8.798, -12.213,   1.270)  ( -8.798, -12.212,   1.270)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       (221.224,   6.302,   3.343)  (221.252,   6.307,   3.348)  ( 0.01,  0.08,  0.13)
163:     bond    (221.840,  -0.059,  -0.118)  (221.868,  -0.058,  -0.117)  ( 0.01,  0.01,  0.01)
163:     angle   ( -0.000,  -0.255,  -0.307)  ( -0.000,  -0.251,  -0.304)  ( 0.00,  0.09,  0.10)
164: # Testing MMFF94 Force Field...
164: ok 1 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : 
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
164:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
164:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
164:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
164:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
164:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
164:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
164:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
164:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
164:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
164:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
164:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
164:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
164:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
164:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
164:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
164:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
164:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
164:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
164:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
164:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
164:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
164:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
164:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
164:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
164:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
164:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
164:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
164:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
164:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
164:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
164:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
164:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
164:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
164:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
164:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
164:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
164:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
164:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
164:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
164:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
164:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
164:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
164:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
164:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
164:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
164:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
164:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
164:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
164:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
164:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
164:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
164:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
164:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
164:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
164:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
164:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
164:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
164:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
164:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
164:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
164:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
164:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
164: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
164:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
164:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
164:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
164:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
164:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
164: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
164:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
164:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
164:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
164:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
164:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
164:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
164: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
164:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
164:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
164:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
164:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
164:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
164:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
164: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
164:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
164:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
164:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
164:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
164: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
164:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
164:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
164:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
164:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
164: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
164:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
164:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
164:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
164:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
164:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
164:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
164: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
164:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
164:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
164:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
164:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
164:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
164: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
164:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
164:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
164:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
164:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
164:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
164: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
164:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
164:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
164:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
164:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
164:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
164: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
164:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
164:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
164:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
164:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
164:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
164:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
164: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
164:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
164:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
164:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
164:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
164:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
164:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
164: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
164:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
164:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
164:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
164:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
164:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
164:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
164: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
164:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
164:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
164:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
164:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
164:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
164: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
164:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
164:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
164:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
164:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
164: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
164:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
164:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
164:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
164:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
164:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
164:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
164:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
164:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
164:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
164:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
164:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
164:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
164:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
164:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
164:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
164:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
164:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
164:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
164:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
164:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
164:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
164:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
164:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
164:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
164:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
164:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
164:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
164:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
164:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
164:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
164:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
164:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
164:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
164:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
164:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
164:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
164: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
164:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
164:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
164:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
164:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
164: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
164:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
164:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
164:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
164: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
164:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
164:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
164:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
164: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
164:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
164:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
164:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
164:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
164:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
164: ok 2 # gradients 
164: ok 3 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
164:  1       (  0.018,  -0.341,  -0.002)  (  0.027,  -0.334,  -0.000)  ( 0.02,  0.23,  0.00)
164:     bond    (  5.237,   0.172,   1.390)  (  5.245,   0.178,   1.391)  ( 0.15,  0.09,  0.04)
164:     angle   ( -3.469,   1.277,  -0.875)  ( -3.468,   1.279,  -0.875)  ( 0.03,  0.14,  0.01)
164:     strbnd  (  1.478,   0.534,   0.407)  (  1.477,   0.533,   0.407)  ( 0.04,  0.03,  0.00)
164:     torsion ( -0.001,  -0.000,   0.002)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.604,  -0.435,  -0.173)  ( -0.604,  -0.435,  -0.173)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.623,  -1.889,  -0.753)  ( -2.623,  -1.889,  -0.753)  ( 0.00,  0.00,  0.00)
164:  2       ( -0.035,   0.614,  -0.000)  ( -0.026,   0.621,   0.002)  ( 0.03,  0.42,  0.00)
164:     bond    ( -4.097,   4.193,  -0.946)  ( -4.089,   4.199,  -0.946)  ( 0.20,  0.13,  0.06)
164:     angle   (  6.070,  -3.235,   1.494)  (  6.071,  -3.233,   1.494)  ( 0.02,  0.06,  0.02)
164:     strbnd  ( -2.009,  -0.344,  -0.542)  ( -2.010,  -0.344,  -0.542)  ( 0.03,  0.02,  0.00)
164:     torsion (  0.001,   0.000,  -0.005)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  3       (  0.063,   0.140,   0.024)  (  0.065,   0.142,   0.025)  ( 0.01,  0.04,  0.00)
164:     bond    (  1.119,   1.704,   0.350)  (  1.120,   1.706,   0.350)  ( 0.10,  0.15,  0.00)
164:     angle   (  1.146,  -0.809,   0.277)  (  1.146,  -0.809,   0.277)  ( 0.03,  0.02,  0.00)
164:     strbnd  ( -0.382,  -0.759,  -0.125)  ( -0.382,  -0.759,  -0.125)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.001,  -0.000,   0.003)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.717,  -0.020,  -0.190)  ( -0.717,  -0.020,  -0.190)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.101,   0.024,  -0.290)  ( -1.101,   0.024,  -0.290)  ( 0.00,  0.00,  0.00)
164:  4       ( -0.062,   0.129,  -0.016)  ( -0.061,   0.132,  -0.016)  ( 0.01,  0.04,  0.00)
164:     bond    (  1.259,  -2.407,   0.256)  (  1.260,  -2.404,   0.256)  ( 0.06,  0.12,  0.00)
164:     angle   (  2.423,   1.342,   0.683)  (  2.423,   1.343,   0.683)  ( 0.02,  0.01,  0.00)
164:     strbnd  ( -0.083,   0.405,  -0.009)  ( -0.083,   0.405,  -0.009)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.868,  -0.122,  -0.761)  ( -2.868,  -0.122,  -0.761)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.793,   0.911,  -0.180)  ( -0.793,   0.911,  -0.180)  ( 0.00,  0.00,  0.00)
164:  5       (  0.040,  -0.110,   0.006)  (  0.041,  -0.107,   0.006)  ( 0.01,  0.03,  0.00)
164:     bond    ( -0.396,   0.799,  -0.079)  ( -0.395,   0.802,  -0.079)  ( 0.03,  0.24,  0.00)
164:     angle   ( -2.535,  -1.318,  -0.711)  ( -2.535,  -1.318,  -0.711)  ( 0.02,  0.01,  0.00)
164:     strbnd  (  0.514,  -0.809,   0.110)  (  0.514,  -0.809,   0.110)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.000,   0.000,  -0.002)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.567,  -0.187,   0.144)  (  0.567,  -0.187,   0.144)  ( 0.00,  0.00,  0.00)
164:     electro (  1.889,   1.405,   0.544)  (  1.889,   1.405,   0.544)  ( 0.00,  0.00,  0.00)
164:  6       (  0.390,  -0.270,   0.111)  (  0.397,  -0.259,   0.113)  ( 0.24,  0.29,  0.02)
164:     bond    ( -3.396,  -4.839,  -1.050)  ( -3.390,  -4.829,  -1.049)  ( 0.15,  0.21,  0.05)
164:     angle   ( -3.250,   2.439,  -0.769)  ( -3.249,   2.440,  -0.768)  ( 0.03,  0.02,  0.06)
164:     strbnd  (  0.484,   0.974,   0.159)  (  0.484,   0.974,   0.159)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.001,  -0.000,   0.004)  ( -0.001,  -0.000,   0.004)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.977,   0.183,   0.792)  (  2.977,   0.183,   0.792)  ( 0.00,  0.00,  0.00)
164:     electro (  3.577,   0.972,   0.975)  (  3.577,   0.972,   0.975)  ( 0.00,  0.00,  0.00)
164:  7       ( -0.447,  -0.202,  -0.130)  ( -0.443,  -0.195,  -0.129)  ( 0.18,  0.16,  0.01)
164:     bond    (  0.245,   0.341,   0.076)  (  0.249,   0.348,   0.077)  ( 0.10,  0.26,  0.00)
164:     angle   ( -0.389,   0.299,  -0.100)  ( -0.389,   0.299,  -0.099)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.646,   0.581,   0.189)  (  0.646,   0.581,   0.189)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.949,  -1.423,  -0.296)  ( -0.949,  -1.423,  -0.296)  ( 0.00,  0.00,  0.00)
164: ok 4 # gradients 
164: ok 5 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
164:  1       ( -0.124,   0.344,  -0.637)  ( -0.119,   0.347,  -0.633)  ( 0.06,  0.09,  0.26)
164:     bond    (  4.786,   0.643,  -1.120)  (  4.790,   0.648,  -1.116)  ( 0.08,  0.30,  0.40)
164:     angle   ( -4.248,  -1.205,   2.065)  ( -4.246,  -1.204,   2.067)  ( 0.04,  0.13,  0.09)
164:     strbnd  (  1.309,   0.175,  -0.296)  (  1.308,   0.175,  -0.297)  ( 0.05,  0.01,  0.02)
164:     torsion (  0.038,  -0.180,   0.270)  (  0.038,  -0.180,   0.270)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,   0.019,   0.011)  ( -0.000,   0.016,   0.009)  ( 0.00,  0.01,  0.00)
164:     vdw     ( -0.992,   0.534,  -0.937)  ( -0.992,   0.534,  -0.937)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.018,   0.358,  -0.630)  ( -1.018,   0.358,  -0.630)  ( 0.00,  0.00,  0.00)
164:  2       (  0.112,  -0.042,   0.049)  (  0.120,  -0.042,   0.054)  ( 0.08,  0.00,  0.03)
164:     bond    ( -6.313,   3.829,  -6.633)  ( -6.307,   3.832,  -6.625)  ( 0.09,  0.07,  0.12)
164:     angle   ( 14.795,   1.490,  -2.461)  ( 14.798,   1.491,  -2.460)  ( 0.02,  0.05,  0.06)
164:     strbnd  ( -8.362,  -5.365,   9.214)  ( -8.362,  -5.366,   9.212)  ( 0.01,  0.01,  0.02)
164:     torsion ( -0.008,  -0.021,  -0.086)  ( -0.008,  -0.021,  -0.086)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.026,   0.015)  (  0.000,   0.022,   0.012)  ( 0.00,  0.01,  0.00)
164:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  3       ( -0.084,  -0.011,   0.022)  ( -0.082,  -0.014,   0.025)  ( 0.02,  0.00,  0.01)
164:     bond    ( -1.795,  -1.762,   3.022)  ( -1.793,  -1.760,   3.028)  ( 0.11,  0.11,  0.18)
164:     angle   ( -8.883,   2.272,  -3.938)  ( -8.882,   2.272,  -3.938)  ( 0.01,  0.00,  0.00)
164:     strbnd  (  5.080,   5.487,  -9.440)  (  5.080,   5.487,  -9.440)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.000,  -0.052,  -0.030)  (  0.000,  -0.052,  -0.030)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,   0.025,   0.014)  ( -0.000,   0.020,   0.012)  ( 0.00,  0.01,  0.00)
164:     vdw     (  2.113,   0.148,  -0.250)  (  2.113,   0.148,  -0.250)  ( 0.00,  0.00,  0.00)
164:     electro (  3.400,  -6.130,  10.644)  (  3.400,  -6.130,  10.644)  ( 0.00,  0.00,  0.00)
164:  4       ( -0.053,  -0.027,   0.018)  ( -0.044,   0.028,   0.054)  ( 0.05,  0.15,  0.06)
164:     bond    (  1.797,  -0.285,   0.335)  (  1.804,  -0.284,   0.341)  ( 0.39,  0.05,  0.18)
164:     angle   ( -6.314,   1.453,  -2.828)  ( -6.313,   1.453,  -2.827)  ( 0.03,  0.02,  0.04)
164:     strbnd  (  0.607,  -1.012,   1.791)  (  0.607,  -1.012,   1.791)  ( 0.01,  0.01,  0.02)
164:     torsion (  0.002,   0.484,   0.279)  (  0.002,   0.484,   0.279)  ( 0.00,  0.02,  0.00)
164:     oop     (  0.001,  -0.313,  -0.179)  (  0.001,  -0.260,  -0.148)  ( 0.00,  1.66,  0.54)
164:     vdw     (  3.855,  -0.353,   0.619)  (  3.855,  -0.353,   0.619)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  5       (  0.018,   0.028,  -0.035)  (  0.020,   0.006,  -0.045)  ( 0.00,  0.06,  0.03)
164:     bond    ( -2.157,  -2.229,   3.948)  ( -2.156,  -2.228,   3.951)  ( 0.04,  0.04,  0.08)
164:     angle   ( -0.484,   0.182,  -0.161)  ( -0.483,   0.182,  -0.161)  ( 0.03,  0.00,  0.00)
164:     strbnd  (  0.577,   0.505,  -0.902)  (  0.577,   0.505,  -0.902)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.003,  -0.213,  -0.121)  ( -0.003,  -0.213,  -0.121)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.125,   0.071)  (  0.000,   0.102,   0.058)  ( 0.00,  0.29,  0.09)
164:     vdw     (  1.088,  -0.556,   0.972)  (  1.088,  -0.556,   0.972)  ( 0.00,  0.00,  0.00)
164:     electro (  0.996,   2.213,  -3.840)  (  0.996,   2.213,  -3.840)  ( 0.00,  0.00,  0.00)
164:  6       (  0.021,   0.003,  -0.007)  (  0.026,  -0.014,  -0.016)  ( 0.01,  0.01,  0.01)
164:     bond    (  3.250,   0.122,  -0.167)  (  3.255,   0.122,  -0.167)  ( 0.15,  0.00,  0.00)
164:     angle   (  0.458,  -3.605,   6.307)  (  0.458,  -3.605,   6.308)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( -0.266,  -0.042,   0.065)  ( -0.266,  -0.042,   0.065)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.001,  -0.156,  -0.091)  (  0.001,  -0.156,  -0.091)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.001,   0.118,   0.067)  ( -0.001,   0.101,   0.058)  ( 0.00,  0.20,  0.07)
164:     vdw     ( -0.044,   0.008,  -0.015)  ( -0.044,   0.008,  -0.015)  ( 0.00,  0.00,  0.00)
164:     electro ( -3.378,   3.559,  -6.174)  ( -3.378,   3.559,  -6.174)  ( 0.00,  0.00,  0.00)
164:  7       ( -0.050,  -0.182,   0.030)  ( -0.049,  -0.179,   0.030)  ( 0.00,  0.06,  0.00)
164:     bond    (  0.021,   0.069,  -0.002)  (  0.021,   0.073,  -0.002)  ( 0.00,  0.02,  0.00)
164:     angle   (  1.553,  -0.437,   0.860)  (  1.553,  -0.437,   0.860)  ( 0.03,  0.00,  0.04)
164:     strbnd  (  0.368,   0.645,  -0.047)  (  0.368,   0.645,  -0.047)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.015,   0.001,  -0.149)  ( -0.015,   0.001,  -0.149)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.977,  -0.460,  -0.633)  ( -1.977,  -0.460,  -0.633)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  8       ( -0.053,   0.067,   0.183)  ( -0.052,   0.068,   0.186)  ( 0.00,  0.01,  0.05)
164:     bond    (  0.017,  -0.029,  -0.055)  (  0.018,  -0.028,  -0.053)  ( 0.00,  0.00,  0.01)
164:     angle   (  1.567,  -0.533,   0.815)  (  1.568,  -0.532,   0.815)  ( 0.03,  0.02,  0.01)
164:     strbnd  (  0.370,  -0.276,  -0.582)  (  0.370,  -0.276,  -0.582)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.016,   0.130,  -0.075)  ( -0.016,   0.130,  -0.075)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.992,   0.775,   0.081)  ( -1.992,   0.775,   0.081)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  9       (  0.179,  -0.202,   0.342)  (  0.180,  -0.201,   0.344)  ( 0.02,  0.02,  0.08)
164:     bond    (  0.367,  -0.375,   0.641)  (  0.368,  -0.374,   0.643)  ( 0.02,  0.03,  0.13)
164:     angle   (  1.546,   0.380,  -0.664)  (  1.547,   0.380,  -0.664)  ( 0.03,  0.01,  0.01)
164:     strbnd  (  0.317,  -0.116,   0.199)  (  0.317,  -0.116,   0.199)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.052,  -0.097,   0.162)  ( -2.052,  -0.097,   0.162)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: ok 6 # gradients 
164: ok 7 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
164:  1       (  0.431,   0.382,   0.004)  (  0.436,   0.388,   0.009)  ( 0.22,  0.23,  0.00)
164:     bond    ( -4.893,   2.856,  -3.005)  ( -4.889,   2.861,  -3.000)  ( 0.09,  0.16,  0.15)
164:     angle   (  1.859,  -4.639,   2.751)  (  1.861,  -4.637,   2.752)  ( 0.10,  0.04,  0.06)
164:     strbnd  (  0.352,  -0.450,   0.642)  (  0.351,  -0.450,   0.641)  ( 0.05,  0.03,  0.04)
164:     torsion ( -0.296,  -0.439,   0.009)  ( -0.296,  -0.439,   0.009)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.689,   2.322,   0.608)  (  5.689,   2.322,   0.608)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.279,   0.731,  -1.001)  ( -2.279,   0.731,  -1.001)  ( 0.00,  0.00,  0.00)
164:  2       ( -0.776,  -0.622,  -0.218)  ( -0.780,  -0.606,  -0.189)  ( 0.23,  0.97,  0.62)
164:     bond    (  7.306,  -2.470,   3.157)  (  7.312,  -2.468,   3.158)  ( 0.07,  0.08,  0.02)
164:     angle   (  2.892,   8.647,  -4.003)  (  2.893,   8.648,  -4.002)  ( 0.01,  0.02,  0.01)
164:     strbnd  (-10.808,  -7.207,  -0.152)  (-10.809,  -7.207,  -0.152)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.221,   0.486,   0.955)  ( -0.221,   0.486,   0.955)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.054,  -0.078,  -0.175)  (  0.045,  -0.066,  -0.147)  ( 0.04,  0.09,  0.48)
164:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  3       (  0.077,  -0.215,  -0.263)  (  0.077,  -0.212,  -0.263)  ( 0.01,  0.07,  0.02)
164:     bond    (  0.045,   0.977,   0.187)  (  0.045,   0.980,   0.187)  ( 0.00,  0.32,  0.00)
164:     angle   ( -5.704,   0.511,  -1.299)  ( -5.703,   0.511,  -1.299)  ( 0.01,  0.00,  0.04)
164:     strbnd  ( -0.435,   0.449,  -0.226)  ( -0.435,   0.449,  -0.226)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.156,  -0.037,   0.231)  ( -0.156,  -0.037,   0.231)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  6.326,  -2.115,   0.844)  (  6.326,  -2.115,   0.844)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  4       ( -0.154,  -0.035,   0.283)  ( -0.151,  -0.034,   0.284)  ( 0.04,  0.00,  0.03)
164:     bond    ( -0.518,  -0.212,   0.225)  ( -0.515,  -0.211,   0.226)  ( 0.13,  0.01,  0.01)
164:     angle   (  0.309,  -0.045,   0.666)  (  0.310,  -0.044,   0.666)  ( 0.01,  0.00,  0.03)
164:     strbnd  ( -0.108,   0.417,  -0.398)  ( -0.108,   0.418,  -0.398)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.012,  -0.211,  -0.225)  ( -0.012,  -0.211,  -0.225)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.175,   0.014,   0.016)  (  0.175,   0.014,   0.016)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  5       ( -0.220,  -0.180,  -0.107)  ( -0.219,  -0.179,  -0.104)  ( 0.01,  0.01,  0.04)
164:     bond    (  0.005,  -0.076,  -0.456)  (  0.005,  -0.076,  -0.453)  ( 0.00,  0.00,  0.15)
164:     angle   ( -1.188,  -0.996,   0.154)  ( -1.187,  -0.996,   0.154)  ( 0.05,  0.05,  0.00)
164:     strbnd  ( -0.441,   0.249,  -0.473)  ( -0.441,   0.249,  -0.473)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.429,   0.568,  -0.091)  (  0.429,   0.568,  -0.091)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.975,   0.076,   0.758)  (  0.975,   0.076,   0.758)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  6       (  0.815,   1.141,  -0.215)  (  0.856,   1.101,  -0.316)  ( 3.35,  3.49,  2.17)
164:     bond    ( -0.770,  -0.798,   0.110)  ( -0.761,  -0.793,   0.112)  ( 0.74,  0.41,  0.02)
164:     angle   ( -6.533,  -4.058,  -0.587)  ( -6.531,  -4.056,  -0.587)  ( 0.02,  0.05,  0.02)
164:     strbnd  ( 13.048,   4.199,   2.149)  ( 13.046,   4.199,   2.149)  ( 0.02,  0.01,  0.01)
164:     torsion (  0.259,  -0.370,  -0.890)  (  0.259,  -0.370,  -0.889)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.183,   0.268,   0.599)  ( -0.151,   0.221,   0.495)  ( 0.59,  1.25,  6.20)
164:     vdw     ( -5.005,   1.900,  -1.595)  ( -5.005,   1.900,  -1.595)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  7       ( -0.169,  -0.110,  -0.044)  ( -0.176,  -0.088,   0.004)  ( 0.13,  0.25,  0.21)
164:     bond    ( -1.232,   0.565,  -0.626)  ( -1.226,   0.566,  -0.625)  ( 0.52,  0.08,  0.10)
164:     angle   ( -0.414,  -0.699,   0.179)  ( -0.414,  -0.698,   0.179)  ( 0.01,  0.04,  0.00)
164:     strbnd  ( -1.351,   0.487,  -0.628)  ( -1.351,   0.487,  -0.628)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.063,   0.092,   0.208)  ( -0.063,   0.092,   0.208)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.065,  -0.095,  -0.213)  (  0.051,  -0.074,  -0.167)  ( 0.09,  0.19,  0.98)
164:     vdw     ( -0.079,   0.007,  -0.027)  ( -0.079,   0.007,  -0.027)  ( 0.00,  0.00,  0.00)
164:     electro (  2.906,  -0.466,   1.064)  (  2.906,  -0.466,   1.064)  ( 0.00,  0.00,  0.00)
164:  8       ( -0.035,  -0.388,   0.541)  ( -0.043,  -0.371,   0.574)  ( 0.03,  0.66,  1.76)
164:     bond    (  0.028,  -0.862,   0.394)  (  0.028,  -0.860,   0.395)  ( 0.00,  0.24,  0.02)
164:     angle   (  8.772,   1.272,   2.136)  (  8.772,   1.272,   2.136)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( -0.253,   1.856,  -0.912)  ( -0.253,   1.856,  -0.912)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.061,  -0.089,  -0.197)  (  0.061,  -0.089,  -0.197)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.065,  -0.096,  -0.213)  (  0.055,  -0.081,  -0.181)  ( 0.06,  0.14,  0.68)
164:     vdw     ( -8.081,  -2.204,  -0.604)  ( -8.081,  -2.204,  -0.604)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.627,  -0.265,  -0.063)  ( -0.627,  -0.265,  -0.063)  ( 0.00,  0.00,  0.00)
164: ok 8 # gradients 
164: ok 9 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
164:  1       (  6.021,  -8.841,  15.336)  (  6.025,  -8.837,  15.339)  ( 0.07,  0.04,  0.02)
164:     bond    ( 13.697, -19.381,  33.622)  ( 13.700, -19.379,  33.624)  ( 0.02,  0.02,  0.01)
164:     angle   ( -4.188,   5.759,  -9.944)  ( -4.187,   5.761,  -9.942)  ( 0.03,  0.02,  0.02)
164:     strbnd  ( -3.294,   4.646,  -8.104)  ( -3.295,   4.645,  -8.105)  ( 0.02,  0.01,  0.01)
164:     torsion ( -0.194,   0.135,  -0.238)  ( -0.194,   0.135,  -0.238)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  2       ( -9.933,  -2.704,   4.639)  ( -9.929,  -2.699,   4.644)  ( 0.04,  0.19,  0.11)
164:     bond    (-13.151,   0.001,   0.002)  (-13.148,   0.005,   0.006)  ( 0.03,  0.00,  0.00)
164:     angle   ( -5.431,  -2.186,   3.739)  ( -5.429,  -2.184,   3.741)  ( 0.03,  0.08,  0.04)
164:     strbnd  (  4.098,  -2.031,   3.530)  (  4.097,  -2.031,   3.529)  ( 0.04,  0.02,  0.01)
164:     torsion ( -0.000,   0.166,  -0.285)  (  0.000,   0.166,  -0.285)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  3       (  3.813,   8.396,   5.795)  (  3.819,   8.400,   5.800)  ( 0.14,  0.05,  0.09)
164:     bond    (  4.362,  12.392,  -0.017)  (  4.366,  12.395,  -0.013)  ( 0.09,  0.03,  0.01)
164:     angle   (  3.888,   4.351,   3.744)  (  3.890,   4.353,   3.746)  ( 0.05,  0.04,  0.04)
164:     strbnd  (  0.568,  -4.531,   3.529)  (  0.568,  -4.532,   3.529)  ( 0.03,  0.03,  0.01)
164:     torsion (  0.479,  -0.170,   0.882)  (  0.479,  -0.170,   0.882)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  4       (  3.726,  -9.185,  -4.409)  (  3.731,  -9.180,  -4.405)  ( 0.14,  0.05,  0.09)
164:     bond    (  4.377,  -6.197, -10.754)  (  4.381,  -6.194, -10.751)  ( 0.09,  0.06,  0.03)
164:     angle   (  3.836,  -5.397,  -1.958)  (  3.837,  -5.396,  -1.956)  ( 0.05,  0.03,  0.09)
164:     strbnd  (  0.555,  -0.774,   5.727)  (  0.555,  -0.774,   5.725)  ( 0.03,  0.04,  0.02)
164:     torsion (  0.478,  -0.675,   0.585)  (  0.478,  -0.675,   0.585)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  5       ( -2.313,  28.066,   0.105)  ( -2.312,  28.068,   0.106)  ( 0.04,  0.01,  0.01)
164:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
164:     angle   (  1.760,   0.623,  -0.007)  (  1.760,   0.623,  -0.006)  ( 0.03,  0.00,  0.00)
164:     strbnd  ( -1.908,  -0.349,   0.000)  ( -1.908,  -0.349,   0.000)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,   0.152)  (  0.000,   0.000,   0.152)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  6       ( -9.233, -13.275,  23.034)  ( -9.232, -13.274,  23.036)  ( 0.01,  0.01,  0.01)
164:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
164:     angle   (  1.828,  -0.303,   0.571)  (  1.829,  -0.302,   0.572)  ( 0.02,  0.01,  0.01)
164:     strbnd  ( -1.910,   0.171,  -0.295)  ( -1.910,   0.171,  -0.295)  ( 0.00,  0.00,  0.00)
165: # Testing MMFF94 Force Field...
165: ok 1 # energy 
165: ----------------------------------------------------------------------------------------
165:                                                                                         
165:   VALIDATE GRADIENTS : cudpas.xyz
165:                                                                                         
165:                                                                                         
165: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
165: ----------------------------------------------------------------------------------------
165:  1       (  0.007,  -0.034,  -0.015)  (  0.020,  -0.030,  -0.011)  ( 0.01,  0.01,  0.01)
165:     bond    ( -0.627,  15.886,  -4.916)  ( -0.627,  15.888,  -4.911)  ( 0.02,  0.01,  0.10)
165:     angle   (  0.285,  -5.925,   1.613)  (  0.285,  -5.923,   1.613)  ( 0.00,  0.03,  0.02)
165:     strbnd  (  0.281,  -0.139,   0.833)  (  0.281,  -0.139,   0.834)  ( 0.00,  0.00,  0.06)
165:     torsion (  1.474,  -0.034,  -0.301)  (  1.475,  -0.034,  -0.301)  ( 0.05,  0.00,  0.00)
165:     oop     ( -0.070,   0.000,   0.013)  ( -0.058,   0.000,   0.010)  ( 0.08,  0.00,  0.00)
165:     vdw     (  0.215,  -8.567,   1.182)  (  0.215,  -8.567,   1.182)  ( 0.00,  0.00,  0.00)
165:     electro ( -1.551,  -1.255,   1.561)  ( -1.551,  -1.255,   1.561)  ( 0.00,  0.00,  0.00)
165:  2       (  0.000,   0.058,   0.027)  (  0.024,   0.065,   0.030)  ( 0.00,  0.04,  0.01)
165:     bond    ( -2.164,  -2.951,  -9.934)  ( -2.163,  -2.945,  -9.929)  ( 0.01,  0.20,  0.05)
165:     angle   ( -0.734,   3.034,  -3.472)  ( -0.734,   3.036,  -3.470)  ( 0.01,  0.06,  0.05)
165:     strbnd  ( -0.457,   4.090,  -1.781)  ( -0.457,   4.089,  -1.781)  ( 0.00,  0.01,  0.01)
165:     torsion ( -0.364,   0.018,   0.072)  ( -0.363,   0.018,   0.072)  ( 0.04,  0.00,  0.00)
165:     oop     ( -0.132,  -0.000,   0.028)  ( -0.109,  -0.000,   0.023)  ( 0.29,  0.00,  0.01)
165:     vdw     (  2.945,  -6.240,  14.926)  (  2.945,  -6.240,  14.926)  ( 0.00,  0.00,  0.00)
165:     electro (  0.905,   2.108,   0.188)  (  0.905,   2.108,   0.188)  ( 0.00,  0.00,  0.00)
165:  3       ( -0.013,  -0.134,  -0.004)  ( -0.081,  -0.127,   0.017)  ( 0.09,  0.09,  0.01)
165:     bond    ( -2.856,   1.520, -14.141)  ( -2.856,   1.526, -14.136)  ( 0.01,  0.37,  0.04)
165:     angle   (  0.155,   3.466,   1.738)  (  0.155,   3.468,   1.740)  ( 0.00,  0.05,  0.09)
165:     strbnd  ( -0.578,  -2.580,  -2.569)  ( -0.578,  -2.580,  -2.569)  ( 0.00,  0.01,  0.00)
165:     torsion (  5.075,   0.158,  -0.979)  (  5.077,   0.158,  -0.979)  ( 0.02,  0.00,  0.00)
165:     oop     (  0.439,   0.006,  -0.089)  (  0.369,   0.005,  -0.074)  ( 3.06,  0.00,  0.13)
165:     vdw     ( -0.451,   3.238,  15.457)  ( -0.451,   3.238,  15.457)  ( 0.00,  0.01,  0.00)
165:     electro ( -1.798,  -5.942,   0.580)  ( -1.798,  -5.942,   0.580)  ( 0.00,  0.00,  0.00)
165:  4       (  0.002,   0.065,  -0.009)  (  0.146,   0.078,   0.012)  ( 0.03,  0.08,  0.02)
165:     bond    (  0.739,  -9.087,   3.961)  (  0.739,  -9.082,   3.966)  ( 0.03,  0.05,  0.13)
165:     angle   (  9.507,   2.833,   4.739)  (  9.507,   2.835,   4.740)  ( 0.00,  0.07,  0.03)
165:     strbnd  ( -2.902,   7.782,  -9.865)  ( -2.902,   7.782,  -9.865)  ( 0.01,  0.00,  0.00)
165:     torsion ( -1.466,  -0.116,   0.262)  ( -1.465,  -0.116,   0.263)  ( 0.07,  0.00,  0.00)
165:     oop     ( -0.861,  -0.029,   0.012)  ( -0.719,  -0.023,   0.026)  (12.21,  0.02,  0.02)
165:     vdw     ( -5.002,  -2.445,  -0.447)  ( -5.002,  -2.445,  -0.447)  ( 0.00,  0.01,  0.00)
165:     electro ( -0.012,   1.128,   1.328)  ( -0.012,   1.127,   1.328)  ( 0.00,  0.00,  0.00)
165:  5       (  0.005,  -0.046,   0.001)  ( -0.130,  -0.039,   0.034)  ( 0.07,  0.03,  0.00)
165:     bond    (  3.837,  -3.968,  21.878)  (  3.837,  -3.963,  21.884)  ( 0.01,  0.13,  0.03)
165:     angle   (  0.847, -10.923,   3.951)  (  0.847, -10.921,   3.952)  ( 0.01,  0.02,  0.05)
165:     strbnd  ( -1.746,  12.103, -11.050)  ( -1.746,  12.103, -11.050)  ( 0.01,  0.00,  0.01)
165:     torsion ( -3.129,  -0.067,   0.763)  ( -3.128,  -0.067,   0.763)  ( 0.04,  0.00,  0.00)
165:     oop     (  0.796,   0.002,  -0.144)  (  0.659,   0.002,  -0.119)  (10.87,  0.00,  0.36)
165:     vdw     ( -1.003,   0.572, -15.165)  ( -1.003,   0.573, -15.165)  ( 0.00,  0.01,  0.00)
165:     electro (  0.403,   2.234,  -0.231)  (  0.403,   2.234,  -0.231)  ( 0.00,  0.00,  0.00)
165:  6       ( -0.014,   0.019,  -0.059)  ( -0.034,   0.026,  -0.048)  ( 0.03,  0.01,  0.07)
165:     bond    (  2.360,   2.726,  12.251)  (  2.360,   2.732,  12.256)  ( 0.01,  0.21,  0.04)
165:     angle   ( -0.066,   1.649,  -0.869)  ( -0.066,   1.650,  -0.868)  ( 0.00,  0.11,  0.16)
165:     strbnd  (  0.208,   6.438,   1.157)  (  0.208,   6.438,   1.157)  ( 0.00,  0.01,  0.00)
165:     torsion ( -0.540,   0.017,   0.090)  ( -0.539,   0.017,   0.090)  ( 0.06,  0.00,  0.00)
165:     oop     (  0.087,  -0.000,  -0.019)  (  0.064,  -0.000,  -0.014)  ( 0.19,  0.00,  0.01)
165:     vdw     ( -2.723, -10.804, -13.580)  ( -2.723, -10.804, -13.580)  ( 0.00,  0.00,  0.00)
165:     electro (  0.661,  -0.008,   0.910)  (  0.661,  -0.008,   0.910)  ( 0.00,  0.00,  0.00)
165:  7       ( -0.000,  -0.025,   0.003)  (  0.044,  -0.019,  -0.000)  ( 0.00,  0.02,  0.00)
165:     bond    ( -0.276,   9.120,  -8.956)  ( -0.276,   9.125,  -8.952)  ( 0.01,  0.06,  0.04)
165:     angle   ( -2.902,   6.048,  -7.259)  ( -2.902,   6.049,  -7.258)  ( 0.00,  0.01,  0.01)
165:     strbnd  (  4.031,  -4.453,  22.176)  (  4.031,  -4.453,  22.175)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.760,  -0.466,  -0.265)  (  0.760,  -0.466,  -0.265)  ( 0.02,  0.00,  0.00)
165:     oop     ( -0.230,   0.002,   0.039)  ( -0.186,   0.002,   0.031)  ( 1.01,  0.00,  0.03)
165:     vdw     (  1.328,  -4.801,  -4.259)  (  1.328,  -4.800,  -4.259)  ( 0.00,  0.00,  0.00)
165:     electro ( -2.711,  -5.475,  -1.472)  ( -2.711,  -5.475,  -1.472)  ( 0.00,  0.00,  0.00)
165:  8       ( -0.053,   0.027,  -0.033)  ( -0.216,  -0.497,  -0.226)  ( 0.87,  1.39,  0.64)
165:     bond    ( -3.938,   9.942,  -2.316)  ( -3.934,   9.949,  -2.315)  ( 0.12,  0.07,  0.05)
165:     angle   ( -3.540, -17.066,  -4.696)  ( -3.538, -17.064,  -4.695)  ( 0.04,  0.01,  0.02)
165:     strbnd  (  4.437,  -1.012,   2.201)  (  4.437,  -1.013,   2.201)  ( 0.01,  0.09,  0.00)
165:     torsion (  2.311,  -0.228,  -0.758)  (  2.312,  -0.228,  -0.757)  ( 0.01,  0.00,  0.04)
165:     oop     (  1.408,   4.166,   1.238)  (  1.240,   3.633,   1.042)  (11.95, 12.78, 15.83)
165:     vdw     ( -0.128,   4.264,   1.509)  ( -0.128,   4.264,   1.509)  ( 0.00,  0.00,  0.01)
165:     electro ( -0.604,  -0.039,   2.789)  ( -0.604,  -0.039,   2.789)  ( 0.00,  0.00,  0.00)
165:  9       (  0.038,  -0.049,   0.024)  (  0.022,  -0.042,   0.070)  ( 0.06,  0.04,  0.11)
165:     bond    ( -6.811, -11.830,  -2.866)  ( -6.806, -11.826,  -2.865)  ( 0.08,  0.03,  0.04)
165:     angle   ( -5.541,  23.308,  -2.368)  ( -5.540,  23.310,  -2.368)  ( 0.01,  0.01,  0.01)
165:     strbnd  ( -9.346, -15.538,  -3.964)  ( -9.346, -15.538,  -3.964)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.130,   0.142,  -0.104)  ( -0.130,   0.142,  -0.103)  ( 0.00,  0.00,  0.01)
165:     oop     (  0.089,  -0.009,  -0.185)  (  0.068,  -0.007,  -0.140)  ( 0.19,  0.00,  0.82)
165:     vdw     (  4.010,   3.065,   1.034)  (  4.010,   3.065,   1.034)  ( 0.00,  0.00,  0.00)
165:     electro ( 17.767,   0.813,   8.478)  ( 17.767,   0.813,   8.478)  ( 0.00,  0.00,  0.00)
165: 10       ( -0.019,   0.024,  -0.011)  ( -0.016,   0.025,  -0.010)  ( 0.01,  0.00,  0.00)
165:     bond    ( -2.271,   0.707,  -0.996)  ( -2.268,   0.707,  -0.996)  ( 0.12,  0.02,  0.05)
165:     angle   ( -3.799, -14.334,  -1.531)  ( -3.799, -14.334,  -1.531)  ( 0.00,  0.00,  0.00)
165:     strbnd  ( -3.911,   0.756,  -1.713)  ( -3.911,   0.756,  -1.713)  ( 0.00,  0.01,  0.00)
165:     torsion ( -1.084,   0.022,   2.483)  ( -1.084,   0.022,   2.483)  ( 0.00,  0.00,  0.01)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( 12.753,  14.661,   1.096)  ( 12.753,  14.662,   1.096)  ( 0.00,  0.00,  0.00)
165:     electro ( -1.708,  -1.788,   0.651)  ( -1.708,  -1.788,   0.651)  ( 0.00,  0.00,  0.00)
165: 11       (  0.015,  -0.026,   0.001)  (  0.771,   2.628,   0.451)  ( 1.12,  6.89,  0.06)
165:     bond    (  3.189,  -2.270,  -2.910)  (  3.195,  -2.269,  -2.901)  ( 0.19,  0.03,  0.31)
165:     angle   (-10.982,  12.274, -10.144)  (-10.980,  12.275, -10.142)  ( 0.02,  0.01,  0.02)
165:     strbnd  (  9.932,  -4.142,   5.975)  (  9.932,  -4.142,   5.974)  ( 0.01,  0.00,  0.01)
165:     torsion (  1.366,   0.855,  -1.969)  (  1.366,   0.855,  -1.969)  ( 0.00,  0.01,  0.00)
165:     oop     ( -4.523, -15.083,  -2.694)  ( -3.775, -12.431,  -2.255)  (16.55, 17.58, 16.29)
165:     vdw     ( -4.277,   7.452,   2.371)  ( -4.277,   7.452,   2.371)  ( 0.00,  0.00,  0.00)
165:     electro (  5.310,   0.888,   9.373)  (  5.310,   0.888,   9.373)  ( 0.00,  0.00,  0.00)
165: 12       ( -0.011,   0.000,   0.007)  ( -0.290,  -1.084,  -0.175)  ( 0.29,  0.02,  0.14)
165:     bond    ( 10.583,  -1.441,  -7.782)  ( 10.587,  -1.441,  -7.780)  ( 0.04,  0.01,  0.03)
165:     angle   (  6.221,  -3.313,   9.078)  (  6.221,  -3.312,   9.079)  ( 0.01,  0.00,  0.01)
165:     strbnd  (  0.003,  -0.237,   0.497)  (  0.003,  -0.237,   0.497)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.228,  -0.717,  -0.178)  ( -0.228,  -0.717,  -0.178)  ( 0.00,  0.00,  0.00)
165:     oop     (  1.512,   5.503,   1.038)  (  1.228,   4.419,   0.853)  (18.78, 19.70, 17.87)
165:     vdw     ( -3.491,   1.297,  -0.137)  ( -3.491,   1.297,  -0.137)  ( 0.00,  0.00,  0.00)
165:     electro (-14.610,  -1.093,  -2.508)  (-14.609,  -1.093,  -2.508)  ( 0.00,  0.00,  0.00)
165: 13       ( -0.004,   0.006,  -0.028)  ( -0.292,  -1.034,  -0.161)  ( 0.12,  0.58,  0.38)
165:     bond    ( -0.347,  -2.236,  17.411)  ( -0.347,  -2.236,  17.418)  ( 0.00,  0.01,  0.04)
165:     angle   (  8.341,  -2.202,  -0.117)  (  8.342,  -2.202,  -0.117)  ( 0.01,  0.01,  0.00)
165:     strbnd  (  0.537,  -0.164,  -1.098)  (  0.537,  -0.164,  -1.098)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.007,   0.019,   0.003)  (  0.007,   0.019,   0.003)  ( 0.00,  0.00,  0.00)
165:     oop     (  1.643,   5.440,   0.731)  (  1.355,   4.400,   0.592)  (17.57, 19.11, 10.18)
165:     vdw     ( -4.303,   6.079,  -2.483)  ( -4.303,   6.079,  -2.483)  ( 0.00,  0.00,  0.00)
165:     electro ( -5.883,  -6.929, -14.476)  ( -5.883,  -6.929, -14.476)  ( 0.00,  0.00,  0.00)
165: 14       ( -0.006,   0.009,  -0.025)  ( -0.009,   0.010,  -0.021)  ( 0.00,  0.00,  0.01)
165:     bond    ( -0.262,   0.572,  -1.210)  ( -0.262,   0.573,  -1.207)  ( 0.00,  0.04,  0.25)
165:     angle   (  0.025,   0.262,   0.119)  (  0.025,   0.263,   0.119)  ( 0.00,  0.02,  0.00)
165:     strbnd  ( -0.068,  -0.555,  -0.311)  ( -0.068,  -0.555,  -0.311)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.529,  -0.000,   0.115)  ( -0.529,  -0.000,   0.115)  ( 0.01,  0.00,  0.00)
165:     oop     (  0.026,   0.000,  -0.006)  (  0.022,   0.000,  -0.005)  ( 0.01,  0.00,  0.00)
165:     vdw     (  0.090,  -0.573,   0.418)  (  0.090,  -0.573,   0.418)  ( 0.00,  0.00,  0.00)
165:     electro (  0.711,   0.304,   0.851)  (  0.711,   0.304,   0.851)  ( 0.00,  0.00,  0.00)
165: 15       (  0.011,   0.025,   0.020)  (  0.026,   0.027,   0.019)  ( 0.02,  0.00,  0.00)
165:     bond    ( -0.317,  -1.110,  -1.455)  ( -0.317,  -1.109,  -1.453)  ( 0.00,  0.12,  0.16)
165:     angle   (  0.046,  -0.282,   0.205)  (  0.046,  -0.282,   0.205)  ( 0.00,  0.01,  0.00)
165:     strbnd  ( -0.095,   0.271,  -0.498)  ( -0.095,   0.271,  -0.498)  ( 0.00,  0.00,  0.00)
165:     torsion ( -1.381,   0.015,   0.290)  ( -1.380,   0.015,   0.290)  ( 0.02,  0.00,  0.00)
165:     oop     ( -0.079,   0.000,   0.017)  ( -0.065,   0.000,   0.014)  ( 0.11,  0.00,  0.01)
165:     vdw     ( -0.910,  -2.950,   3.814)  ( -0.910,  -2.950,   3.814)  ( 0.00,  0.00,  0.00)
165:     electro (  2.748,   4.081,  -2.353)  (  2.748,   4.081,  -2.353)  ( 0.00,  0.00,  0.00)
165: 16       ( -0.000,  -0.001,   0.020)  (  0.015,   0.001,   0.020)  ( 0.00,  0.00,  0.00)
165:     bond    (  0.218,   1.033,   1.174)  (  0.219,   1.034,   1.176)  ( 0.00,  0.16,  0.18)
165:     angle   ( -0.076,   0.463,  -0.393)  ( -0.076,   0.463,  -0.393)  ( 0.00,  0.02,  0.01)
165:     strbnd  (  0.016,  -0.834,   0.057)  (  0.016,  -0.834,   0.057)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.089,  -0.002,   0.018)  ( -0.089,  -0.002,   0.018)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.109,   0.000,   0.020)  ( -0.094,   0.000,   0.017)  ( 0.17,  0.00,  0.01)
165:     vdw     (  0.013,  -2.157,   0.235)  (  0.013,  -2.157,   0.235)  ( 0.00,  0.00,  0.00)
165:     electro (  0.026,   1.497,  -1.090)  (  0.026,   1.496,  -1.090)  ( 0.00,  0.00,  0.00)
165: 17       ( -0.000,   0.006,  -0.002)  ( -0.000,   0.011,  -0.001)  ( 0.00,  0.00,  0.00)
165:     bond    ( -1.080,  -6.670,   0.744)  ( -1.080,  -6.665,   0.744)  ( 0.02,  0.08,  0.01)
165:     angle   (  2.207,   0.691,   9.393)  (  2.207,   0.691,   9.393)  ( 0.00,  0.00,  0.00)
165:     strbnd  ( -0.344,  -1.784,  -0.047)  ( -0.344,  -1.784,  -0.047)  ( 0.00,  0.00,  0.00)
165:     torsion ( -2.062,   0.385,   0.456)  ( -2.062,   0.385,   0.456)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.933,  -2.094,  -5.972)  (  0.933,  -2.094,  -5.971)  ( 0.00,  0.00,  0.00)
165:     electro (  0.346,   9.478,  -4.577)  (  0.346,   9.478,  -4.577)  ( 0.00,  0.00,  0.00)
165: ok 2 # gradients 
165: ok 3 # energy 
165: ----------------------------------------------------------------------------------------
165:                                                                                         
165:   VALIDATE GRADIENTS : fadvub.xyz
165:                                                                                         
165:                                                                                         
165: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
165: ----------------------------------------------------------------------------------------
165:  1       (  0.032,  -0.022,  -0.017)  (  0.040,  -0.014,  -0.012)  ( 0.03,  0.02,  0.01)
165:     bond    (  4.193,  -0.133,   4.673)  (  4.200,  -0.126,   4.676)  ( 0.15,  0.09,  0.07)
165:     angle   (-17.099,  -3.471,  -8.358)  (-17.096,  -3.469,  -8.356)  ( 0.01,  0.07,  0.03)
165:     strbnd  (  4.695,   5.793,   5.057)  (  4.694,   5.792,   5.057)  ( 0.02,  0.01,  0.01)
165:     torsion ( -0.415,  -0.232,   3.381)  ( -0.415,  -0.232,   3.381)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.119,  -2.488,  -2.762)  ( -0.119,  -2.488,  -2.762)  ( 0.00,  0.00,  0.00)
165:     electro (  8.777,   0.508,  -2.008)  (  8.777,   0.508,  -2.008)  ( 0.00,  0.00,  0.00)
165:  2       ( -0.013,   0.003,   0.000)  ( -0.008,   0.006,   0.001)  ( 0.01,  0.00,  0.00)
165:     bond    (  1.103,  -0.872,   0.032)  (  1.108,  -0.869,   0.032)  ( 0.43,  0.26,  0.00)
165:     angle   (  5.971,   7.760,   4.115)  (  5.971,   7.760,   4.115)  ( 0.00,  0.01,  0.02)
165:     strbnd  ( -1.798,   1.228,  -0.204)  ( -1.798,   1.228,  -0.204)  ( 0.00,  0.01,  0.00)
165:     torsion ( -0.240,  -0.377,  -1.934)  ( -0.240,  -0.377,  -1.934)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -3.447,  -0.778,  -4.529)  ( -3.447,  -0.778,  -4.529)  ( 0.00,  0.00,  0.00)
165:     electro ( -1.601,  -6.958,   2.522)  ( -1.601,  -6.958,   2.522)  ( 0.00,  0.00,  0.00)
165:  3       ( -0.004,   0.032,   0.024)  ( -0.000,   0.037,   0.026)  ( 0.00,  0.02,  0.00)
165:     bond    (  2.117,   3.479,   0.356)  (  2.120,   3.484,   0.357)  ( 0.15,  0.14,  0.04)
165:     angle   (  5.205,   1.489,   6.637)  (  5.206,   1.489,   6.638)  ( 0.02,  0.02,  0.01)
165:     strbnd  (  0.649,  -4.129,  -1.875)  (  0.649,  -4.130,  -1.875)  ( 0.00,  0.01,  0.01)
165:     torsion ( -1.574,   1.955,  -4.025)  ( -1.574,   1.955,  -4.025)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -1.957,  -2.115,  -2.420)  ( -1.957,  -2.115,  -2.420)  ( 0.00,  0.00,  0.00)
165:     electro ( -4.445,  -0.646,   1.351)  ( -4.445,  -0.646,   1.351)  ( 0.00,  0.00,  0.00)
165:  4       (  0.013,   0.008,   0.009)  (  0.018,   0.014,   0.015)  ( 0.01,  0.00,  0.01)
165:     bond    ( -4.350,  -2.902,   1.332)  ( -4.346,  -2.898,   1.336)  ( 0.09,  0.15,  0.33)
165:     angle   (  2.535,   3.636,  -0.898)  (  2.537,   3.638,  -0.897)  ( 0.07,  0.05,  0.15)
165:     strbnd  ( -0.741,  -1.162,   0.765)  ( -0.742,  -1.163,   0.764)  ( 0.06,  0.04,  0.04)
165:     torsion (  0.668,  -0.672,   0.545)  (  0.668,  -0.672,   0.545)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.251,   0.436,  -2.285)  (  0.251,   0.436,  -2.285)  ( 0.00,  0.00,  0.00)
165:     electro (  1.651,   0.673,   0.551)  (  1.651,   0.673,   0.551)  ( 0.00,  0.00,  0.00)
165:  5       ( -0.017,  -0.028,  -0.024)  ( -0.011,  -0.023,  -0.020)  ( 0.01,  0.01,  0.01)
165:     bond    ( -5.276,  10.539,   0.735)  ( -5.272,  10.543,   0.738)  ( 0.08,  0.04,  0.23)
165:     angle   (  5.214, -11.328,   4.079)  (  5.216, -11.326,   4.081)  ( 0.04,  0.02,  0.05)
165:     strbnd  (  0.208,   1.026,  -1.791)  (  0.207,   1.025,  -1.792)  ( 0.01,  0.09,  0.06)
165:     torsion (  1.012,   1.023,  -1.293)  (  1.012,   1.023,  -1.293)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -3.996,  -2.526,  -2.331)  ( -3.996,  -2.526,  -2.331)  ( 0.00,  0.00,  0.00)
165:     electro (  2.822,   1.238,   0.577)  (  2.822,   1.238,   0.577)  ( 0.00,  0.00,  0.00)
165:  6       (  0.047,   0.015,  -0.035)  (  0.053,   0.020,  -0.030)  ( 0.03,  0.01,  0.02)
165:     bond    (  3.643,  -8.573,  -2.156)  (  3.647,  -8.569,  -2.152)  ( 0.12,  0.05,  0.18)
165:     angle   ( -3.553,  12.963,  -7.820)  ( -3.551,  12.965,  -7.818)  ( 0.05,  0.02,  0.03)
165:     strbnd  (  3.941,  -0.711,   4.570)  (  3.941,  -0.712,   4.569)  ( 0.01,  0.05,  0.02)
165:     torsion ( -0.466,  -2.160,   2.319)  ( -0.466,  -2.160,   2.319)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -3.518,  -1.505,   3.052)  ( -3.518,  -1.505,   3.052)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:  7       (  0.020,   0.062,  -0.058)  ( -0.071,   0.288,  -0.172)  ( 0.18,  1.40,  0.66)
165:     bond    ( 11.219,  18.634,   3.192)  ( 11.222,  18.638,   3.196)  ( 0.03,  0.02,  0.12)
165:     angle   ( -2.190, -11.744,   1.811)  ( -2.188, -11.742,   1.813)  ( 0.09,  0.02,  0.12)
165:     strbnd  ( -6.827,  -7.330,  -8.396)  ( -6.828,  -7.331,  -8.397)  ( 0.01,  0.01,  0.01)
165:     torsion ( -2.070,   0.870,   0.194)  ( -2.070,   0.870,   0.194)  ( 0.00,  0.00,  0.00)
165:     oop     (  1.043,  -2.385,   1.346)  (  0.948,  -2.164,   1.226)  ( 9.15,  9.24,  8.89)
165:     vdw     ( -0.143,   1.896,   2.023)  ( -0.143,   1.896,   2.023)  ( 0.00,  0.00,  0.00)
165:     electro ( -1.011,   0.120,  -0.229)  ( -1.011,   0.120,  -0.229)  ( 0.00,  0.00,  0.00)
165:  8       ( -0.037,  -0.036,   0.030)  ( -0.030,  -0.029,   0.037)  ( 0.03,  0.02,  0.02)
165:     bond    ( 31.436,  -5.462,  -8.582)  ( 31.441,  -5.456,  -8.577)  ( 0.02,  0.09,  0.06)
165:     angle   ( 24.318,   2.673, -13.460)  ( 24.320,   2.675, -13.458)  ( 0.01,  0.08,  0.02)
165:     strbnd  ( -3.349,   3.958,   4.185)  ( -3.349,   3.958,   4.185)  ( 0.01,  0.01,  0.01)
165:     torsion (  0.865,   0.668,  -0.128)  (  0.865,   0.668,  -0.128)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (-15.296,  -0.490,   6.181)  (-15.295,  -0.490,   6.182)  ( 0.00,  0.00,  0.00)
165:     electro (-38.012,  -1.383,  11.833)  (-38.012,  -1.383,  11.833)  ( 0.00,  0.01,  0.00)
165:  9       ( -0.084,   0.011,   0.103)  (  0.977,  -2.037,   1.266)  ( 8.96,  2.15, 12.00)
165:     bond    (-24.944,   7.709,  33.079)  (-24.940,   7.712,  33.088)  ( 0.01,  0.04,  0.03)
165:     angle   (-17.079,   0.187,  13.198)  (-17.077,   0.188,  13.199)  ( 0.01,  0.02,  0.01)
165:     strbnd  ( 11.466,  -5.334, -19.281)  ( 11.465,  -5.335, -19.282)  ( 0.01,  0.01,  0.01)
165:     torsion (  0.142,  -0.694,  -0.397)  (  0.142,  -0.694,  -0.396)  ( 0.00,  0.00,  0.00)
165:     oop     ( -4.647,   9.685,  -5.474)  ( -3.590,   7.635,  -4.320)  (22.74, 21.18, 21.08)
165:     vdw     (  6.485,  -1.479,  -2.117)  (  6.485,  -1.479,  -2.117)  ( 0.00,  0.00,  0.00)
165:     electro ( 28.493, -10.064, -18.905)  ( 28.493, -10.064, -18.904)  ( 0.00,  0.00,  0.00)
165: 10       (  0.052,  -0.027,  -0.107)  ( -0.475,   0.999,  -0.671)  ( 2.75,  2.73,  6.04)
165:     bond    (  7.223,  -4.901, -15.530)  (  7.224,  -4.900, -15.524)  ( 0.02,  0.01,  0.04)
165:     angle   ( -0.823,   0.087,  -0.410)  ( -0.822,   0.087,  -0.410)  ( 0.06,  0.00,  0.00)
165:     strbnd  ( -5.921,   2.262,   9.306)  ( -5.920,   2.262,   9.306)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.293,   0.686,  -0.353)  ( -0.293,   0.686,  -0.353)  ( 0.00,  0.00,  0.00)
165:     oop     (  1.878,  -3.841,   2.086)  (  1.349,  -2.816,   1.517)  (28.20, 26.69, 27.32)
165:     vdw     ( 10.301,   3.828,   1.517)  ( 10.301,   3.828,   1.517)  ( 0.00,  0.00,  0.00)
165:     electro (-12.313,   1.852,   3.276)  (-12.313,   1.852,   3.276)  ( 0.00,  0.00,  0.00)
165: 11       (  0.001,  -0.001,  -0.007)  ( -0.428,   0.808,  -0.467)  ( 0.06,  0.12,  0.34)
165:     bond    ( -5.364, -10.247, -12.843)  ( -5.364, -10.244, -12.839)  ( 0.01,  0.02,  0.03)
165:     angle   ( 17.615,   2.690,  -9.506)  ( 17.616,   2.690,  -9.506)  ( 0.00,  0.00,  0.00)
165:     strbnd  ( -0.975,   4.889,   8.707)  ( -0.975,   4.889,   8.707)  ( 0.01,  0.00,  0.00)
165:     torsion (  0.208,  -0.464,   0.284)  (  0.208,  -0.464,   0.284)  ( 0.00,  0.00,  0.00)
165:     oop     (  1.725,  -3.462,   2.041)  (  1.294,  -2.654,   1.578)  (24.99, 23.32, 22.72)
165:     vdw     ( 20.549,   2.004,  -4.094)  ( 20.550,   2.004,  -4.094)  ( 0.00,  0.00,  0.00)
165:     electro (-33.756,   4.588,  15.404)  (-33.756,   4.588,  15.404)  ( 0.00,  0.00,  0.00)
165: 12       ( -0.014,  -0.020,  -0.003)  ( -0.011,  -0.018,  -0.003)  ( 0.00,  0.00,  0.00)
165:     bond    ( -2.108,  -1.364,   0.667)  ( -2.104,  -1.362,   0.667)  ( 0.15,  0.09,  0.02)
165:     angle   (  1.431,  -3.486,  -2.605)  (  1.431,  -3.486,  -2.605)  ( 0.00,  0.01,  0.01)
165:     strbnd  ( -0.286,  -0.078,   0.143)  ( -0.286,  -0.077,   0.143)  ( 0.00,  0.00,  0.00)
165:     torsion (  1.600,  -1.233,   2.529)  (  1.600,  -1.233,   2.529)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.031,  -0.022,  -0.112)  ( -0.031,  -0.022,  -0.112)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.620,   6.163,  -0.625)  ( -0.620,   6.163,  -0.625)  ( 0.00,  0.00,  0.00)
165: 13       ( -0.027,   0.011,  -0.004)  ( -0.024,   0.012,  -0.004)  ( 0.01,  0.00,  0.00)
165:     bond    (  0.777,  -0.529,   0.119)  (  0.779,  -0.528,   0.119)  ( 0.18,  0.06,  0.00)
165:     angle   ( -0.885,  -1.096,   0.925)  ( -0.884,  -1.096,   0.926)  ( 0.01,  0.03,  0.04)
165:     strbnd  ( -1.504,   0.684,  -0.090)  ( -1.504,   0.684,  -0.090)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.038,  -0.109,  -0.234)  ( -0.038,  -0.109,  -0.234)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.623,   1.061,  -0.724)  (  1.623,   1.061,  -0.724)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 14       ( -0.007,  -0.027,  -0.010)  ( -0.006,  -0.024,  -0.009)  ( 0.00,  0.01,  0.00)
165:     bond    (  0.115,   1.126,   0.629)  (  0.115,   1.129,   0.630)  ( 0.00,  0.23,  0.05)
165:     angle   ( -0.934,  -0.881,   1.748)  ( -0.934,  -0.881,   1.748)  ( 0.05,  0.01,  0.02)
165:     strbnd  ( -0.363,  -1.245,  -0.504)  ( -0.363,  -1.245,  -0.504)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.233,   0.175,  -0.272)  ( -0.233,   0.175,  -0.272)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.409,   0.798,  -1.611)  (  1.409,   0.798,  -1.611)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 15       ( -0.001,  -0.003,  -0.008)  ( -0.000,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.078,   0.087,  -0.487)  ( -0.077,   0.087,  -0.484)  ( 0.00,  0.00,  0.16)
165:     angle   ( -0.356,  -1.049,  -0.131)  ( -0.355,  -1.048,  -0.131)  ( 0.02,  0.04,  0.00)
165:     strbnd  ( -0.107,  -0.325,   1.008)  ( -0.107,  -0.325,   1.008)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.227,   0.446,   0.116)  ( -0.227,   0.446,   0.116)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.767,   0.838,  -0.514)  (  0.767,   0.839,  -0.514)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 16       ( -0.007,   0.000,   0.002)  ( -0.004,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
165:     bond    (  0.169,  -0.061,   0.004)  (  0.172,  -0.060,   0.004)  ( 0.05,  0.00,  0.00)
165:     angle   (  1.751,   5.151,   2.051)  (  1.751,   5.151,   2.052)  ( 0.00,  0.01,  0.03)
165:     strbnd  ( -0.007,   0.573,  -0.048)  ( -0.007,   0.573,  -0.048)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.110,  -0.369,  -0.744)  ( -0.110,  -0.369,  -0.744)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -1.811,  -5.293,  -1.262)  ( -1.811,  -5.293,  -1.262)  ( 0.00,  0.00,  0.01)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 17       ( -0.003,  -0.013,   0.004)  ( -0.001,  -0.011,   0.005)  ( 0.00,  0.00,  0.00)
165:     bond    (  1.206,   1.529,  -0.696)  (  1.207,   1.530,  -0.695)  ( 0.10,  0.12,  0.03)
165:     angle   ( -0.729,  -0.235,  -1.783)  ( -0.729,  -0.235,  -1.782)  ( 0.02,  0.01,  0.03)
165:     strbnd  ( -0.850,  -0.116,   0.251)  ( -0.850,  -0.116,   0.251)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.296,   0.197,   0.948)  (  0.296,   0.197,   0.948)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.074,  -1.387,   1.283)  (  0.074,  -1.387,   1.284)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 18       ( -0.002,  -0.011,   0.015)  ( -0.001,  -0.009,   0.017)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.434,  -2.155,   1.394)  ( -0.434,  -2.153,   1.395)  ( 0.00,  0.11,  0.07)
165:     angle   (  1.665,  -1.741,  -2.169)  (  1.666,  -1.741,  -2.169)  ( 0.03,  0.01,  0.02)
165:     strbnd  (  0.479,   0.577,  -0.839)  (  0.479,   0.577,  -0.839)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.578,  -0.321,  -0.316)  (  0.578,  -0.321,  -0.316)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -2.290,   3.630,   1.944)  ( -2.290,   3.630,   1.945)  ( 0.00,  0.00,  0.01)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 19       ( -0.048,  -0.003,   0.010)  ( -0.045,  -0.002,   0.010)  ( 0.02,  0.00,  0.00)
165:     bond    (  3.011,  -0.074,  -0.795)  (  3.014,  -0.074,  -0.795)  ( 0.10,  0.00,  0.02)
165:     angle   (  0.861,   0.161,   3.246)  (  0.861,   0.162,   3.247)  ( 0.00,  0.01,  0.02)
165:     strbnd  ( -1.180,  -0.479,   0.265)  ( -1.180,  -0.479,   0.265)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.346,   0.357,  -1.346)  ( -0.346,   0.357,  -1.346)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -2.394,   0.033,  -1.359)  ( -2.394,   0.033,  -1.359)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 20       ( -0.003,  -0.042,   0.032)  ( -0.002,  -0.039,   0.034)  ( 0.00,  0.01,  0.00)
165:     bond    ( -0.042,   1.240,  -0.654)  ( -0.042,   1.243,  -0.653)  ( 0.00,  0.21,  0.05)
165:     angle   ( -0.781,  -1.615,  -3.020)  ( -0.780,  -1.614,  -3.020)  ( 0.04,  0.01,  0.02)
165:     strbnd  ( -0.130,   0.941,   1.010)  ( -0.130,   0.941,   1.010)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.609,   0.345,   0.616)  (  0.609,   0.345,   0.616)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.342,  -0.953,   2.080)  (  0.342,  -0.953,   2.080)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 21       (  0.012,   0.012,  -0.003)  (  0.014,   0.013,  -0.002)  ( 0.00,  0.00,  0.00)
165:     bond    (-16.919,  -7.195,  -8.595)  (-16.917,  -7.195,  -8.594)  ( 0.02,  0.01,  0.01)
165:     angle   ( -8.625,   3.959,  13.661)  ( -8.625,   3.959,  13.662)  ( 0.00,  0.01,  0.00)
165:     strbnd  (  0.614,  -0.231,  -0.297)  (  0.614,  -0.231,  -0.297)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.035,  -0.717,   0.668)  ( -0.035,  -0.717,   0.668)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -6.207,   2.647,   6.206)  ( -6.207,   2.647,   6.206)  ( 0.00,  0.00,  0.00)
165:     electro ( 31.183,   1.549, -11.648)  ( 31.183,   1.549, -11.648)  ( 0.00,  0.01,  0.00)
165: 22       (  0.006,   0.001,  -0.013)  (  0.008,   0.003,  -0.011)  ( 0.00,  0.00,  0.00)
165:     bond    ( -4.934,  -3.520,   6.017)  ( -4.932,  -3.519,   6.019)  ( 0.03,  0.02,  0.04)
165:     angle   ( -3.213,   0.593,  -2.286)  ( -3.213,   0.593,  -2.286)  ( 0.01,  0.03,  0.01)
165:     strbnd  (  1.267,  -0.292,  -1.268)  (  1.267,  -0.292,  -1.268)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.847,   0.124,  -0.622)  ( -0.847,   0.124,  -0.622)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.353,   0.460,   0.417)  ( -0.353,   0.460,   0.417)  ( 0.00,  0.00,  0.00)
165:     electro (  8.086,   2.636,  -2.271)  (  8.086,   2.636,  -2.271)  ( 0.00,  0.00,  0.00)
165: 23       (  0.007,   0.003,  -0.009)  (  0.008,   0.006,  -0.008)  ( 0.00,  0.00,  0.00)
165:     bond    ( -1.822,   3.586,  -1.944)  ( -1.821,   3.589,  -1.943)  ( 0.04,  0.08,  0.04)
165:     angle   (-10.320,  -4.719,   0.955)  (-10.319,  -4.719,   0.956)  ( 0.01,  0.00,  0.04)
165:     strbnd  (  0.722,  -0.493,  -0.668)  (  0.722,  -0.493,  -0.668)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.917,   0.500,   0.064)  (  0.917,   0.500,   0.064)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.240,   1.405,   1.413)  ( -0.240,   1.405,   1.413)  ( 0.00,  0.00,  0.00)
165:     electro ( 10.749,  -0.275,   0.171)  ( 10.749,  -0.275,   0.171)  ( 0.00,  0.00,  0.00)
165: ok 4 # gradients 
165: ok 5 # energy 
165: ----------------------------------------------------------------------------------------
165:                                                                                         
165:   VALIDATE GRADIENTS : fiybiy.xyz
165:                                                                                         
165:                                                                                         
165: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
165: ----------------------------------------------------------------------------------------
165:  1       ( -0.037,   0.000,  -0.051)  ( -0.039,   0.006,  -0.047)  ( 0.01,  0.00,  0.02)
165:     bond    (  7.810,  -1.840,   7.980)  (  7.815,  -1.832,   7.984)  ( 0.05,  0.48,  0.05)
165:     angle   ( -4.687,  -2.600,  -7.659)  ( -4.685,  -2.598,  -7.656)  ( 0.05,  0.09,  0.03)
165:     strbnd  (  1.520,  -7.648,  19.637)  (  1.519,  -7.649,  19.636)  ( 0.05,  0.01,  0.00)
165:     torsion (  0.281,  -0.182,  -0.226)  (  0.281,  -0.182,  -0.226)  ( 0.00,  0.00,  0.00)
165:     oop     (  0.047,   0.028,   0.008)  (  0.040,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
165:     vdw     ( -0.861,  -7.381,   0.991)  ( -0.861,  -7.381,   0.991)  ( 0.00,  0.00,  0.01)
165:     electro ( -4.147,  19.624, -20.782)  ( -4.147,  19.624, -20.782)  ( 0.00,  0.00,  0.00)
165:  2       (  0.015,  -0.021,  -0.013)  (  0.016,  -0.015,  -0.011)  ( 0.00,  0.01,  0.00)
165:     bond    (  0.188,  -1.235,  -0.576)  (  0.188,  -1.229,  -0.574)  ( 0.00,  0.51,  0.08)
165:     angle   (  2.833,  -2.246,   5.734)  (  2.833,  -2.246,   5.734)  ( 0.02,  0.01,  0.01)
165:     strbnd  (  0.058,  -0.206,   0.531)  (  0.058,  -0.206,   0.531)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.582,  -0.145,   0.120)  ( -0.582,  -0.145,   0.120)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -2.490,  -0.763,  -6.600)  ( -2.490,  -0.763,  -6.600)  ( 0.00,  0.00,  0.00)
165:     electro (  0.009,   4.575,   0.778)  (  0.009,   4.575,   0.778)  ( 0.00,  0.00,  0.00)
165:  3       ( -0.083,   0.019,  -0.119)  ( -0.123,   0.094,  -0.069)  ( 0.34,  0.14,  0.60)
165:     bond    ( -1.055,   0.134,  -1.295)  ( -1.051,   0.134,  -1.289)  ( 0.35,  0.00,  0.43)
165:     angle   ( -0.395,  -0.549,   0.265)  ( -0.395,  -0.548,   0.265)  ( 0.02,  0.03,  0.01)
165:     strbnd  ( -4.612,   1.446,  -7.083)  ( -4.612,   1.446,  -7.083)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.187,   0.312,   0.185)  ( -0.187,   0.312,   0.185)  ( 0.00,  0.00,  0.00)
165:     oop     (  0.225,  -0.371,  -0.222)  (  0.180,  -0.296,  -0.178)  ( 1.01,  2.75,  0.99)
165:     vdw     ( -0.123,   0.138,  -0.190)  ( -0.123,   0.138,  -0.190)  ( 0.00,  0.00,  0.00)
165:     electro (  6.064,  -1.092,   8.221)  (  6.064,  -1.092,   8.221)  ( 0.00,  0.00,  0.00)
165:  4       ( -0.072,  -0.017,  -0.030)  ( -0.094,   0.028,  -0.000)  ( 0.16,  0.08,  0.09)
165:     bond    ( -0.836,  -8.517,  13.382)  ( -0.832,  -8.516,  13.384)  ( 0.33,  0.01,  0.02)
165:     angle   (  7.130,   8.296, -11.537)  (  7.131,   8.297, -11.535)  ( 0.00,  0.01,  0.01)
165:     strbnd  ( -2.982,  -0.215,  -2.921)  ( -2.982,  -0.215,  -2.921)  ( 0.00,  0.00,  0.01)
165:     torsion (  0.423,   0.846,  -0.211)  (  0.423,   0.846,  -0.211)  ( 0.00,  0.01,  0.00)
165:     oop     (  0.186,  -0.302,  -0.180)  (  0.159,  -0.259,  -0.154)  ( 0.49,  1.29,  0.46)
165:     vdw     ( -2.535,   5.528,  -3.997)  ( -2.535,   5.528,  -3.997)  ( 0.00,  0.00,  0.00)
165:     electro ( -1.458,  -5.655,   5.433)  ( -1.458,  -5.655,   5.433)  ( 0.00,  0.00,  0.00)
165:  5       (  0.010,   0.036,  -0.046)  ( -0.018,   0.093,  -0.011)  ( 0.03,  0.20,  0.16)
165:     bond    ( -5.684,   0.935,   3.018)  ( -5.681,   0.938,   3.021)  ( 0.04,  0.31,  0.10)
165:     angle   ( 19.037,   0.921,   3.045)  ( 19.039,   0.921,   3.046)  ( 0.01,  0.05,  0.03)
165:     strbnd  ( -4.528,   0.738,   3.763)  ( -4.528,   0.738,   3.763)  ( 0.01,  0.01,  0.00)
165:     torsion (  0.060,   0.659,   0.624)  (  0.060,   0.659,   0.624)  ( 0.00,  0.00,  0.00)
165:     oop     (  0.189,  -0.311,  -0.184)  (  0.157,  -0.258,  -0.153)  ( 0.60,  1.64,  0.57)
165:     vdw     (-16.349, -10.170, -11.577)  (-16.349, -10.170, -11.576)  ( 0.00,  0.00,  0.00)
165:     electro (  7.284,   7.264,   1.264)  (  7.284,   7.264,   1.264)  ( 0.00,  0.00,  0.00)
165:  6       ( -0.067,   0.088,   0.083)  ( -0.052,   0.101,   0.090)  ( 0.10,  0.11,  0.06)
165:     bond    ( -0.701,  -2.222,  11.603)  ( -0.699,  -2.218,  11.607)  ( 0.11,  0.18,  0.03)
165:     angle   ( -0.364,  -2.925,  13.817)  ( -0.363,  -2.923,  13.819)  ( 0.02,  0.05,  0.01)
165:     strbnd  (  0.639,   2.955, -12.934)  (  0.639,   2.955, -12.935)  ( 0.00,  0.00,  0.00)
165:     torsion (  2.329,   1.562,   0.380)  (  2.330,   1.562,   0.380)  ( 0.03,  0.02,  0.00)
165:     oop     ( -0.074,  -0.043,  -0.014)  ( -0.062,  -0.036,  -0.012)  ( 0.09,  0.03,  0.00)
165:     vdw     ( -1.895,   0.720, -12.746)  ( -1.895,   0.720, -12.746)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.002,   0.041,  -0.023)  ( -0.002,   0.041,  -0.023)  ( 0.00,  0.00,  0.00)
165:  7       (  0.013,  -0.054,   0.044)  (  0.021,  -0.046,   0.052)  ( 0.01,  0.04,  0.03)
165:     bond    ( -7.170,  10.526,   6.570)  ( -7.169,  10.530,   6.576)  ( 0.02,  0.04,  0.08)
165:     angle   (  2.588,  -3.055,  -4.852)  (  2.588,  -3.053,  -4.850)  ( 0.02,  0.04,  0.03)
165:     strbnd  ( -1.496,   3.392,  -2.547)  ( -1.496,   3.392,  -2.547)  ( 0.00,  0.00,  0.01)
165:     torsion ( -1.418,  -0.816,  -0.200)  ( -1.417,  -0.816,  -0.200)  ( 0.07,  0.03,  0.00)
165:     oop     ( -0.027,  -0.014,  -0.002)  ( -0.022,  -0.012,  -0.002)  ( 0.01,  0.00,  0.00)
165:     vdw     (  6.692,  -9.975,  -2.511)  (  6.692,  -9.975,  -2.511)  ( 0.00,  0.00,  0.01)
165:     electro (  0.844,  -0.112,   3.586)  (  0.844,  -0.112,   3.586)  ( 0.00,  0.00,  0.00)
165:  8       ( -0.029,   0.068,  -0.054)  ( -0.019,   0.078,  -0.046)  ( 0.03,  0.07,  0.04)
165:     bond    ( -5.733,  10.916,  -5.111)  ( -5.731,  10.920,  -5.106)  ( 0.03,  0.04,  0.10)
165:     angle   ( -0.069,   0.148,  -0.147)  ( -0.069,   0.149,  -0.145)  ( 0.00,  0.02,  0.02)
165:     strbnd  (  0.254,  -0.317,  -0.321)  (  0.254,  -0.317,  -0.321)  ( 0.00,  0.00,  0.01)
165:     torsion ( -0.506,  -0.295,  -0.082)  ( -0.505,  -0.294,  -0.082)  ( 0.05,  0.01,  0.00)
165:     oop     ( -0.039,  -0.023,  -0.006)  ( -0.033,  -0.019,  -0.005)  ( 0.03,  0.01,  0.00)
165:     vdw     (  5.846, -11.080,   5.290)  (  5.846, -11.080,   5.290)  ( 0.00,  0.00,  0.00)
165:     electro (  0.218,   0.720,   0.323)  (  0.218,   0.720,   0.323)  ( 0.00,  0.00,  0.00)
165:  9       ( -0.014,   0.016,  -0.063)  (  0.004,   0.030,  -0.053)  ( 0.02,  0.02,  0.06)
165:     bond    (  0.583,   2.170, -13.287)  (  0.585,   2.174, -13.282)  ( 0.09,  0.18,  0.04)
165:     angle   (  0.007,  -0.113,   0.340)  (  0.007,  -0.112,   0.341)  ( 0.00,  0.01,  0.06)
165:     strbnd  (  0.032,  -0.099,   0.170)  (  0.032,  -0.099,   0.170)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.193,  -0.115,  -0.023)  ( -0.192,  -0.114,  -0.023)  ( 0.02,  0.00,  0.00)
165:     oop     ( -0.086,  -0.051,  -0.013)  ( -0.072,  -0.043,  -0.011)  ( 0.13,  0.04,  0.00)
165:     vdw     ( -0.816,  -2.222,  14.046)  ( -0.816,  -2.222,  14.046)  ( 0.00,  0.00,  0.00)
165:     electro (  0.459,   0.446,  -1.294)  (  0.459,   0.446,  -1.294)  ( 0.00,  0.00,  0.00)
165: 10       (  0.012,  -0.026,   0.043)  (  0.023,  -0.017,   0.051)  ( 0.01,  0.03,  0.03)
165:     bond    (  6.512,  -8.973,  -7.628)  (  6.514,  -8.969,  -7.623)  ( 0.03,  0.05,  0.07)
165:     angle   (  0.058,  -0.079,  -0.055)  (  0.058,  -0.078,  -0.054)  ( 0.00,  0.01,  0.01)
165:     strbnd  ( -0.185,   0.392,  -0.179)  ( -0.185,   0.392,  -0.179)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.572,  -0.345,  -0.095)  ( -0.571,  -0.345,  -0.095)  ( 0.05,  0.01,  0.00)
165:     oop     ( -0.040,  -0.024,  -0.007)  ( -0.032,  -0.020,  -0.005)  ( 0.03,  0.01,  0.00)
165:     vdw     ( -6.571,   9.136,   7.766)  ( -6.571,   9.136,   7.766)  ( 0.00,  0.00,  0.00)
165:     electro (  0.809,  -0.133,   0.241)  (  0.809,  -0.133,   0.241)  ( 0.00,  0.00,  0.00)
165: 11       (  0.067,  -0.113,  -0.076)  (  0.083,  -0.099,  -0.068)  ( 0.11,  0.16,  0.06)
165:     bond    (  6.849, -12.437,   4.398)  (  6.851, -12.433,   4.404)  ( 0.02,  0.03,  0.12)
165:     angle   ( -2.678,   5.816,  -4.951)  ( -2.677,   5.818,  -4.949)  ( 0.02,  0.02,  0.03)
165:     strbnd  (  2.697,  -3.157,  -4.284)  (  2.697,  -3.158,  -4.284)  ( 0.00,  0.00,  0.00)
165:     torsion ( -1.703,  -1.064,  -0.247)  ( -1.702,  -1.063,  -0.247)  ( 0.06,  0.03,  0.00)
165:     oop     ( -0.078,  -0.050,  -0.010)  ( -0.065,  -0.042,  -0.009)  ( 0.10,  0.04,  0.00)
165:     vdw     ( -5.728,  10.270,   1.476)  ( -5.728,  10.270,   1.476)  ( 0.00,  0.00,  0.01)
165:     electro (  0.708,   0.510,   3.541)  (  0.708,   0.510,   3.542)  ( 0.00,  0.00,  0.00)
165: 12       (  0.104,  -0.040,   0.163)  (  0.215,  -0.206,   0.071)  ( 1.16,  0.66,  1.49)
165:     bond    ( 13.123,   9.974,  -3.258)  ( 13.130,   9.977,  -3.250)  ( 0.05,  0.02,  0.25)
165:     angle   (-14.649,   0.422,   3.858)  (-14.647,   0.423,   3.860)  ( 0.02,  0.06,  0.05)
165:     strbnd  (  6.144,   3.136,   1.986)  (  6.144,   3.135,   1.985)  ( 0.01,  0.02,  0.05)
165:     torsion (  0.114,  -1.966,  -1.386)  (  0.114,  -1.966,  -1.386)  ( 0.00,  0.01,  0.00)
165:     oop     ( -0.600,   0.982,   0.585)  ( -0.496,   0.813,   0.485)  ( 6.21, 16.58,  5.91)
165:     vdw     ( -6.672,   1.688,  -4.514)  ( -6.672,   1.688,  -4.514)  ( 0.00,  0.00,  0.00)
165:     electro (  2.643, -14.275,   2.893)  (  2.643, -14.275,   2.893)  ( 0.00,  0.00,  0.00)
165: 13       (  0.040,  -0.004,   0.029)  (  0.046,   0.002,   0.035)  ( 0.02,  0.00,  0.02)
165:     bond    ( -2.991,   1.047, -11.722)  ( -2.987,   1.051, -11.718)  ( 0.13,  0.39,  0.04)
165:     angle   ( -2.018,   2.285,   8.597)  ( -2.016,   2.287,   8.599)  ( 0.11,  0.09,  0.02)
165:     strbnd  (  2.619,  -2.990,   4.758)  (  2.618,  -2.991,   4.758)  ( 0.04,  0.03,  0.02)
165:     torsion ( -0.041,  -0.092,   0.175)  ( -0.041,  -0.092,   0.175)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( 14.014,   8.530,   0.129)  ( 14.014,   8.530,   0.129)  ( 0.00,  0.00,  0.00)
165:     electro (-11.542,  -8.783,  -1.908)  (-11.542,  -8.783,  -1.908)  ( 0.00,  0.00,  0.00)
165: 14       (  0.024,  -0.010,   0.034)  (  0.029,  -0.005,   0.040)  ( 0.01,  0.00,  0.02)
165:     bond    ( -4.655,   3.822,  -2.177)  ( -4.651,   3.826,  -2.172)  ( 0.08,  0.10,  0.21)
165:     angle   ( -4.059,  -1.702,  -4.245)  ( -4.057,  -1.700,  -4.243)  ( 0.05,  0.12,  0.05)
165:     strbnd  (  2.089,   1.563,   0.776)  (  2.088,   1.562,   0.776)  ( 0.05,  0.07,  0.03)
165:     torsion (  0.938,   1.048,   1.864)  (  0.938,   1.048,   1.864)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  3.794,  -3.935,   2.717)  (  3.794,  -3.935,   2.717)  ( 0.00,  0.00,  0.00)
165:     electro (  1.918,  -0.806,   1.098)  (  1.918,  -0.806,   1.098)  ( 0.00,  0.00,  0.00)
165: 15       ( -0.042,  -0.017,   0.014)  ( -0.037,  -0.011,   0.020)  ( 0.02,  0.01,  0.01)
165:     bond    ( -6.167,  -3.752,   0.389)  ( -6.163,  -3.748,   0.393)  ( 0.07,  0.11,  0.18)
165:     angle   (  3.378,   1.344,  -4.652)  (  3.380,   1.345,  -4.650)  ( 0.06,  0.14,  0.04)
165:     strbnd  (  0.915,   0.369,  -0.380)  (  0.914,   0.369,  -0.380)  ( 0.08,  0.02,  0.02)
165:     torsion (  1.467,  -0.659,   4.905)  (  1.467,  -0.659,   4.905)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.366,   2.682,  -0.248)  (  0.366,   2.682,  -0.248)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 16       (  0.001,  -0.001,  -0.009)  ( -0.007,  -0.004,  -0.008)  ( 0.00,  0.00,  0.00)
165:     bond    ( -1.392,   1.999,   1.715)  ( -1.392,   2.000,   1.716)  ( 0.06,  0.08,  0.07)
165:     angle   ( -0.390,   1.079,  -1.575)  ( -0.390,   1.079,  -1.575)  ( 0.00,  0.02,  0.03)
165:     strbnd  (  0.199,  -0.272,  -0.384)  (  0.199,  -0.272,  -0.384)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.947,   0.545,   0.133)  (  0.948,   0.545,   0.133)  ( 0.02,  0.00,  0.00)
165:     oop     (  0.050,   0.029,   0.007)  (  0.041,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
165:     vdw     (  1.566,  -2.362,   2.661)  (  1.566,  -2.362,   2.662)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.979,  -1.018,  -2.566)  ( -0.979,  -1.018,  -2.566)  ( 0.00,  0.00,  0.00)
165: 17       (  0.013,  -0.037,   0.011)  (  0.006,  -0.039,   0.010)  ( 0.01,  0.01,  0.00)
165:     bond    ( -1.079,   2.138,  -1.059)  ( -1.078,   2.140,  -1.059)  ( 0.06,  0.12,  0.06)
165:     angle   (  0.033,  -0.019,  -0.072)  (  0.033,  -0.019,  -0.072)  ( 0.00,  0.00,  0.00)
165:     strbnd  (  0.329,  -0.679,   0.351)  (  0.329,  -0.679,   0.351)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.254,   0.148,   0.041)  (  0.254,   0.148,   0.041)  ( 0.01,  0.00,  0.00)
165:     oop     (  0.051,   0.029,   0.008)  (  0.042,   0.025,   0.007)  ( 0.04,  0.01,  0.00)
165:     vdw     (  0.321,  -0.617,   0.307)  (  0.321,  -0.617,   0.307)  ( 0.00,  0.00,  0.00)
165:     electro (  0.104,  -1.037,   0.435)  (  0.104,  -1.037,   0.435)  ( 0.00,  0.00,  0.00)
165: 18       ( -0.002,  -0.001,   0.010)  ( -0.012,  -0.006,   0.011)  ( 0.00,  0.00,  0.00)
165:     bond    (  0.172,   0.436,  -2.694)  (  0.172,   0.436,  -2.691)  ( 0.00,  0.00,  0.13)
165:     angle   (  0.012,   0.006,   0.002)  (  0.012,   0.006,   0.002)  ( 0.00,  0.00,  0.00)
165:     strbnd  ( -0.076,  -0.152,   0.941)  ( -0.076,  -0.152,   0.941)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.138,   0.082,   0.022)  (  0.138,   0.082,   0.022)  ( 0.00,  0.00,  0.00)
165:     oop     (  0.066,   0.040,   0.011)  (  0.055,   0.033,   0.009)  ( 0.07,  0.03,  0.00)
165:     vdw     ( -0.039,  -0.117,   0.755)  ( -0.039,  -0.117,   0.755)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.275,  -0.295,   0.974)  ( -0.275,  -0.295,   0.974)  ( 0.00,  0.00,  0.00)
165: 19       ( -0.010,   0.002,   0.007)  ( -0.018,  -0.002,   0.007)  ( 0.01,  0.00,  0.00)
165:     bond    (  1.319,  -1.740,  -1.572)  (  1.320,  -1.739,  -1.570)  ( 0.07,  0.09,  0.08)
165:     angle   ( -0.010,   0.055,  -0.071)  ( -0.010,   0.056,  -0.070)  ( 0.00,  0.00,  0.00)
165:     strbnd  ( -0.440,   0.556,   0.528)  ( -0.440,   0.556,   0.528)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.286,   0.174,   0.048)  (  0.286,   0.174,   0.048)  ( 0.01,  0.00,  0.00)
165:     oop     (  0.057,   0.035,   0.009)  (  0.048,   0.029,   0.008)  ( 0.05,  0.02,  0.00)
165:     vdw     ( -0.364,   0.499,   0.452)  ( -0.364,   0.499,   0.452)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.858,   0.422,   0.612)  ( -0.858,   0.422,   0.612)  ( 0.00,  0.00,  0.00)
165: 20       ( -0.011,   0.019,  -0.003)  ( -0.022,   0.014,  -0.004)  ( 0.01,  0.01,  0.00)
165:     bond    (  1.065,  -1.923,   0.931)  (  1.066,  -1.921,   0.932)  ( 0.07,  0.13,  0.05)
165:     angle   (  0.816,  -0.719,  -2.417)  (  0.816,  -0.719,  -2.416)  ( 0.01,  0.00,  0.02)
165:     strbnd  ( -0.179,   0.321,  -0.263)  ( -0.179,   0.321,  -0.263)  ( 0.00,  0.00,  0.00)
165:     torsion (  1.157,   0.723,   0.167)  (  1.157,   0.723,   0.167)  ( 0.02,  0.01,  0.00)
165:     oop     (  0.072,   0.045,   0.011)  (  0.060,   0.037,   0.009)  ( 0.09,  0.03,  0.00)
165:     vdw     ( -1.141,   1.967,   4.393)  ( -1.141,   1.967,   4.393)  ( 0.00,  0.00,  0.00)
165:     electro ( -1.800,  -0.394,  -2.826)  ( -1.800,  -0.394,  -2.826)  ( 0.00,  0.00,  0.00)
165: 21       ( -0.002,  -0.005,  -0.023)  ( -0.001,  -0.004,  -0.021)  ( 0.00,  0.00,  0.01)
165:     bond    (  1.444,  -1.170,  -2.502)  (  1.445,  -1.169,  -2.500)  ( 0.05,  0.04,  0.09)
165:     angle   ( -2.245,  -3.938,   0.544)  ( -2.244,  -3.937,   0.544)  ( 0.02,  0.01,  0.01)
165:     strbnd  ( -0.862,   0.401,  -0.476)  ( -0.862,   0.401,  -0.476)  ( 0.00,  0.00,  0.00)
165:     torsion ( -1.116,  -0.117,  -0.590)  ( -1.116,  -0.117,  -0.590)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  2.776,   4.819,   3.001)  (  2.776,   4.819,   3.001)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 22       ( -0.015,   0.012,  -0.030)  ( -0.014,   0.013,  -0.028)  ( 0.00,  0.00,  0.01)
165:     bond    (  0.154,  -0.044,   0.213)  (  0.155,  -0.044,   0.215)  ( 0.02,  0.00,  0.05)
165:     angle   ( -3.150,   0.346,   2.340)  ( -3.150,   0.346,   2.340)  ( 0.01,  0.02,  0.01)
165:     strbnd  ( -1.019,   0.402,  -1.027)  ( -1.019,   0.402,  -1.027)  ( 0.00,  0.00,  0.00)
165:     torsion (  1.025,  -0.593,  -0.859)  (  1.025,  -0.593,  -0.859)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  2.975,  -0.099,  -0.696)  (  2.975,  -0.099,  -0.696)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 23       ( -0.002,  -0.007,  -0.010)  ( -0.000,  -0.006,  -0.007)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.844,   0.674,   1.498)  ( -0.843,   0.674,   1.500)  ( 0.06,  0.03,  0.15)
165:     angle   (  0.780,   0.980,  -0.002)  (  0.780,   0.980,  -0.002)  ( 0.03,  0.05,  0.00)
165:     strbnd  ( -0.246,   0.126,  -0.182)  ( -0.246,   0.126,  -0.182)  ( 0.00,  0.00,  0.00)
165:     torsion ( -1.955,  -0.263,  -0.980)  ( -1.955,  -0.263,  -0.980)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  2.263,  -1.523,  -0.342)  (  2.263,  -1.523,  -0.342)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 24       (  0.008,  -0.004,  -0.001)  (  0.009,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
165:     bond    (  0.400,  -1.579,   0.234)  (  0.400,  -1.576,   0.235)  ( 0.01,  0.20,  0.00)
165:     angle   ( -0.974,   0.080,   2.199)  ( -0.974,   0.080,   2.199)  ( 0.05,  0.00,  0.02)
165:     strbnd  ( -0.565,   0.621,  -0.074)  ( -0.565,   0.621,  -0.074)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.236,  -0.429,  -2.483)  ( -0.236,  -0.429,  -2.483)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.383,   1.303,   0.122)  (  1.383,   1.303,   0.122)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 25       ( -0.003,   0.003,   0.000)  ( -0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.527,   0.046,  -0.630)  ( -0.526,   0.046,  -0.628)  ( 0.07,  0.00,  0.13)
165:     angle   ( -0.726,  -0.901,   0.541)  ( -0.725,  -0.901,   0.541)  ( 0.02,  0.04,  0.01)
165:     strbnd  ( -0.277,  -0.238,   0.153)  ( -0.277,  -0.238,   0.153)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.187,  -0.339,  -0.181)  (  0.187,  -0.338,  -0.181)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.340,   1.434,   0.118)  (  1.340,   1.434,   0.118)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 26       (  0.006,  -0.002,  -0.020)  (  0.007,  -0.001,  -0.018)  ( 0.00,  0.00,  0.01)
165:     bond    ( -0.838,   0.546,   1.494)  ( -0.837,   0.547,   1.496)  ( 0.06,  0.02,  0.16)
165:     angle   ( -0.275,  -2.955,   0.926)  ( -0.274,  -2.954,   0.926)  ( 0.01,  0.02,  0.01)
165:     strbnd  ( -0.022,  -0.439,  -0.536)  ( -0.022,  -0.439,  -0.536)  ( 0.00,  0.00,  0.00)
165:     torsion ( -1.106,   1.318,  -1.100)  ( -1.106,   1.318,  -1.100)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  2.246,   1.528,  -0.804)  (  2.246,   1.528,  -0.804)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: ok 6 # gradients 
165: ok 7 # energy 
165: ----------------------------------------------------------------------------------------
165:                                                                                         
165:   VALIDATE GRADIENTS : fizgok.xyz
165:                                                                                         
165:                                                                                         
165: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
165: ----------------------------------------------------------------------------------------
165:  1       (  0.075,   0.147,  -0.085)  (  0.082,   0.159,  -0.080)  ( 0.05,  0.19,  0.04)
165:     bond    ( -7.838,  -3.903,  -3.643)  ( -7.834,  -3.894,  -3.639)  ( 0.06,  0.21,  0.11)
165:     angle   (  7.377, -14.044,  12.273)  (  7.380, -14.042,  12.275)  ( 0.04,  0.02,  0.02)
165:     strbnd  (  0.657,   1.642,  -0.343)  (  0.656,   1.641,  -0.344)  ( 0.08,  0.06,  0.04)
165:     torsion ( -0.045,   0.673,  -0.372)  ( -0.045,   0.673,  -0.371)  ( 0.00,  0.01,  0.00)
165:     oop     ( -0.007,  -0.027,   0.009)  ( -0.007,  -0.024,   0.008)  ( 0.00,  0.01,  0.00)
165:     vdw     ( -0.525,  -6.965,   3.135)  ( -0.525,  -6.965,   3.135)  ( 0.00,  0.00,  0.00)
165:     electro (  0.455,  22.771, -11.143)  (  0.455,  22.771, -11.143)  ( 0.00,  0.00,  0.00)
165:  2       (  1.636,  -0.294,   0.523)  (  1.645,  -0.288,   0.526)  ( 0.60,  0.19,  0.15)
165:     bond    (-11.204,   8.407,  18.715)  (-11.196,   8.408,  18.718)  ( 0.07,  0.01,  0.02)
165:     angle   (  0.078,   5.582,   5.314)  (  0.080,   5.582,   5.316)  ( 0.01,  0.01,  0.04)
165:     strbnd  ( 14.683, -10.263, -21.918)  ( 14.682, -10.263, -21.919)  ( 0.01,  0.00,  0.00)
165:     torsion (  0.150,   0.067,  -0.035)  (  0.150,   0.067,  -0.035)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.011,  -0.041,   0.013)  ( -0.010,  -0.036,   0.012)  ( 0.00,  0.02,  0.00)
165:     vdw     ( -1.009,  -4.181,  -1.167)  ( -1.009,  -4.181,  -1.167)  ( 0.00,  0.00,  0.00)
165:     electro ( -1.053,   0.135,  -0.399)  ( -1.053,   0.135,  -0.399)  ( 0.00,  0.00,  0.00)
165:  3       ( -1.196,  -0.099,  -1.352)  ( -1.194,  -0.124,  -1.338)  ( 0.11,  0.25,  1.02)
165:     bond    ( -4.431,   5.571,  14.123)  ( -4.424,   5.572,  14.127)  ( 0.17,  0.01,  0.03)
165:     angle   (  2.807,  -2.317,  -5.897)  (  2.808,  -2.317,  -5.895)  ( 0.05,  0.01,  0.04)
165:     strbnd  ( -0.396,  -3.222, -10.930)  ( -0.396,  -3.222, -10.931)  ( 0.03,  0.00,  0.01)
165:     torsion (  0.009,   0.024,  -0.016)  (  0.009,   0.024,  -0.016)  ( 0.00,  0.00,  0.00)
165:     oop     (  0.040,   0.151,  -0.046)  (  0.033,   0.124,  -0.038)  ( 0.03,  0.41,  0.04)
165:     vdw     ( -1.180,  -0.564,  -1.315)  ( -1.180,  -0.564,  -1.315)  ( 0.00,  0.00,  0.00)
165:     electro (  1.956,   0.259,   2.729)  (  1.956,   0.259,   2.729)  ( 0.00,  0.00,  0.00)
165:  4       ( -0.453,   0.371,   0.817)  ( -0.453,   0.347,   0.833)  ( 0.03,  0.90,  1.31)
165:     bond    ( 11.836,  -5.927,  -8.661)  ( 11.841,  -5.926,  -8.655)  ( 0.04,  0.01,  0.08)
165:     angle   ( -4.489,   2.870,   4.414)  ( -4.487,   2.870,   4.415)  ( 0.05,  0.01,  0.03)
165:     strbnd  ( -9.187,   3.979,   4.504)  ( -9.187,   3.979,   4.504)  ( 0.01,  0.00,  0.01)
165:     torsion ( -0.003,   0.015,   0.000)  ( -0.003,   0.016,   0.000)  ( 0.00,  0.00,  0.00)
165:     oop     (  0.040,   0.146,  -0.047)  (  0.033,   0.121,  -0.038)  ( 0.03,  0.38,  0.04)
165:     vdw     ( -1.795,  -0.128,  -0.448)  ( -1.795,  -0.128,  -0.448)  ( 0.00,  0.00,  0.00)
165:     electro (  3.145,  -0.584,   1.055)  (  3.145,  -0.584,   1.055)  ( 0.00,  0.00,  0.00)
165:  5       ( -0.041,   0.004,   0.038)  ( -0.035,   0.010,   0.045)  ( 0.02,  0.00,  0.03)
165:     bond    ( 13.675,  -9.287, -16.484)  ( 13.679,  -9.286, -16.477)  ( 0.03,  0.01,  0.04)
165:     angle   (  6.589,   0.956,  -3.854)  (  6.590,   0.957,  -3.852)  ( 0.03,  0.06,  0.04)
165:     strbnd  (-16.570,  11.056,  19.409)  (-16.571,  11.055,  19.409)  ( 0.01,  0.00,  0.00)
165:     torsion (  0.066,   0.138,   0.084)  (  0.066,   0.138,   0.084)  ( 0.00,  0.01,  0.00)
165:     oop     ( -0.010,  -0.039,   0.012)  ( -0.009,  -0.035,   0.011)  ( 0.00,  0.02,  0.00)
165:     vdw     ( -3.074,  -2.716,   1.743)  ( -3.074,  -2.716,   1.743)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.716,  -0.103,  -0.873)  ( -0.716,  -0.103,  -0.873)  ( 0.00,  0.00,  0.00)
165:  6       (  0.013,  -0.004,  -0.008)  (  0.016,   0.001,  -0.008)  ( 0.00,  0.00,  0.00)
165:     bond    ( 11.948,  -5.575,  -8.525)  ( 11.950,  -5.574,  -8.524)  ( 0.01,  0.01,  0.01)
165:     angle   ( -0.801,  -0.056,  -1.086)  ( -0.801,  -0.057,  -1.085)  ( 0.01,  0.00,  0.03)
165:     strbnd  (-17.035,   8.265,  13.244)  (-17.035,   8.265,  13.244)  ( 0.00,  0.00,  0.00)
166: # Testing MMFF94 Force Field...
166: ok 1 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : 
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
166:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
166:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
166:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
166:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
166:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
166:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
166:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
166:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
166:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
166:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
166:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
166:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
166:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
166:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
166:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
166:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
166:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
166:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
166:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
166:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
166:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
166:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
166:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
166:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
166:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
166:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
166:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
166:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
166:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
166:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
166:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
166:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
166:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
166:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
166:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
166:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
166:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
166:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
166:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
166:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
166:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
166:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
166:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
166:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
166:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
166:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
166:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
166:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
166:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
166:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
166:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
166:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
166:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
166:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
166:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
166:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
166:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
166:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
166:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
166:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
166:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
166: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
166:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
166:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
166:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
166:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
166:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
166: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
166:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
166:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
166:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
166:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
166:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
166:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
166: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
166:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
166:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
166:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
166:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
166:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
166:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
166: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
166:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
166:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
166:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
166:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
166: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
166:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
166:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
166:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
166:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
166: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
166:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
166:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
166:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
166:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
166:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
166:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
166: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
166:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
166:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
166:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
166:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
166:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
166: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
166:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
166:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
166:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
166:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
166:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
166: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
166:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
166:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
166:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
166:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
166:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
166: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
166:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
166:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
166:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
166:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
166:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
166: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
166:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
166:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
166:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
166:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
166:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
166:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
166: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
166:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
166:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
166:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
166:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
166:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
166:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
166: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
166:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
166:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
166:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
166:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
166:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
166: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
166:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
166:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
166:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
166:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
166: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
166:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
166:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
166:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
166:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
166:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
166:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
166:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
166:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
166:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
166:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
166:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
166:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
166:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
166:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
166:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
166:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
166:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
166:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
166:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
166:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
166:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
166:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
166:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
166:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
166:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
166:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
166:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
166:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
166:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
166:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
166:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
166:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
166:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
166:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
166:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
166:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
166: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
166:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
166:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
166:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
166:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
166: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
166:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
166:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
166:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
166: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
166:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
166:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
166:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
166: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
166:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
166:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
166:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
166:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
166:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
166: ok 2 # gradients 
166: ok 3 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
166:  1       (  0.018,  -0.341,  -0.002)  (  0.027,  -0.334,  -0.000)  ( 0.02,  0.23,  0.00)
166:     bond    (  5.237,   0.172,   1.390)  (  5.245,   0.178,   1.391)  ( 0.15,  0.09,  0.04)
166:     angle   ( -3.469,   1.277,  -0.875)  ( -3.468,   1.279,  -0.875)  ( 0.03,  0.14,  0.01)
166:     strbnd  (  1.478,   0.534,   0.407)  (  1.477,   0.533,   0.407)  ( 0.04,  0.03,  0.00)
166:     torsion ( -0.001,  -0.000,   0.002)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.604,  -0.435,  -0.173)  ( -0.604,  -0.435,  -0.173)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.623,  -1.889,  -0.753)  ( -2.623,  -1.889,  -0.753)  ( 0.00,  0.00,  0.00)
166:  2       ( -0.035,   0.614,  -0.000)  ( -0.026,   0.621,   0.002)  ( 0.03,  0.42,  0.00)
166:     bond    ( -4.097,   4.193,  -0.946)  ( -4.089,   4.199,  -0.946)  ( 0.20,  0.13,  0.06)
166:     angle   (  6.070,  -3.235,   1.494)  (  6.071,  -3.233,   1.494)  ( 0.02,  0.06,  0.02)
166:     strbnd  ( -2.009,  -0.344,  -0.542)  ( -2.010,  -0.344,  -0.542)  ( 0.03,  0.02,  0.00)
166:     torsion (  0.001,   0.000,  -0.005)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.000,   0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  3       (  0.063,   0.140,   0.024)  (  0.065,   0.142,   0.025)  ( 0.01,  0.04,  0.00)
166:     bond    (  1.119,   1.704,   0.350)  (  1.120,   1.706,   0.350)  ( 0.10,  0.15,  0.00)
166:     angle   (  1.146,  -0.809,   0.277)  (  1.146,  -0.809,   0.277)  ( 0.03,  0.02,  0.00)
166:     strbnd  ( -0.382,  -0.759,  -0.125)  ( -0.382,  -0.759,  -0.125)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.001,  -0.000,   0.003)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.717,  -0.020,  -0.190)  ( -0.717,  -0.020,  -0.190)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.101,   0.024,  -0.290)  ( -1.101,   0.024,  -0.290)  ( 0.00,  0.00,  0.00)
166:  4       ( -0.062,   0.129,  -0.016)  ( -0.061,   0.132,  -0.016)  ( 0.01,  0.04,  0.00)
166:     bond    (  1.259,  -2.407,   0.256)  (  1.260,  -2.404,   0.256)  ( 0.06,  0.12,  0.00)
166:     angle   (  2.423,   1.342,   0.683)  (  2.423,   1.343,   0.683)  ( 0.02,  0.01,  0.00)
166:     strbnd  ( -0.083,   0.405,  -0.009)  ( -0.083,   0.405,  -0.009)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.868,  -0.122,  -0.761)  ( -2.868,  -0.122,  -0.761)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.793,   0.911,  -0.180)  ( -0.793,   0.911,  -0.180)  ( 0.00,  0.00,  0.00)
166:  5       (  0.040,  -0.110,   0.006)  (  0.041,  -0.107,   0.006)  ( 0.01,  0.03,  0.00)
166:     bond    ( -0.396,   0.799,  -0.079)  ( -0.395,   0.802,  -0.079)  ( 0.03,  0.24,  0.00)
166:     angle   ( -2.535,  -1.318,  -0.711)  ( -2.535,  -1.318,  -0.711)  ( 0.02,  0.01,  0.00)
166:     strbnd  (  0.514,  -0.809,   0.110)  (  0.514,  -0.809,   0.110)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.000,   0.000,  -0.002)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.567,  -0.187,   0.144)  (  0.567,  -0.187,   0.144)  ( 0.00,  0.00,  0.00)
166:     electro (  1.889,   1.405,   0.544)  (  1.889,   1.405,   0.544)  ( 0.00,  0.00,  0.00)
166:  6       (  0.390,  -0.270,   0.111)  (  0.397,  -0.259,   0.113)  ( 0.24,  0.29,  0.02)
166:     bond    ( -3.396,  -4.839,  -1.050)  ( -3.390,  -4.829,  -1.049)  ( 0.15,  0.21,  0.05)
166:     angle   ( -3.250,   2.439,  -0.769)  ( -3.249,   2.440,  -0.768)  ( 0.03,  0.02,  0.06)
166:     strbnd  (  0.484,   0.974,   0.159)  (  0.484,   0.974,   0.159)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.001,  -0.000,   0.004)  ( -0.001,  -0.000,   0.004)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.977,   0.183,   0.792)  (  2.977,   0.183,   0.792)  ( 0.00,  0.00,  0.00)
166:     electro (  3.577,   0.972,   0.975)  (  3.577,   0.972,   0.975)  ( 0.00,  0.00,  0.00)
166:  7       ( -0.447,  -0.202,  -0.130)  ( -0.443,  -0.195,  -0.129)  ( 0.18,  0.16,  0.01)
166:     bond    (  0.245,   0.341,   0.076)  (  0.249,   0.348,   0.077)  ( 0.10,  0.26,  0.00)
166:     angle   ( -0.389,   0.299,  -0.100)  ( -0.389,   0.299,  -0.099)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.646,   0.581,   0.189)  (  0.646,   0.581,   0.189)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.949,  -1.423,  -0.296)  ( -0.949,  -1.423,  -0.296)  ( 0.00,  0.00,  0.00)
166: ok 4 # gradients 
166: ok 5 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
166:  1       ( -0.272,   0.975,  -1.711)  ( -0.266,   0.978,  -1.706)  ( 0.14,  0.26,  0.24)
166:     bond    (  4.786,   0.643,  -1.120)  (  4.790,   0.648,  -1.116)  ( 0.08,  0.30,  0.40)
166:     angle   ( -4.248,  -1.205,   2.065)  ( -4.246,  -1.204,   2.067)  ( 0.04,  0.13,  0.09)
166:     strbnd  (  1.309,   0.175,  -0.296)  (  1.308,   0.175,  -0.297)  ( 0.05,  0.01,  0.02)
166:     torsion ( -0.109,   0.451,  -0.803)  ( -0.109,   0.451,  -0.803)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,   0.019,   0.011)  ( -0.000,   0.016,   0.009)  ( 0.00,  0.01,  0.00)
166:     vdw     ( -0.992,   0.534,  -0.937)  ( -0.992,   0.534,  -0.937)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.018,   0.358,  -0.630)  ( -1.018,   0.358,  -0.630)  ( 0.00,  0.00,  0.00)
166:  2       (  0.141,  -0.327,   0.169)  (  0.149,  -0.299,   0.191)  ( 0.11,  0.92,  0.37)
166:     bond    ( -6.313,   3.829,  -6.633)  ( -6.307,   3.832,  -6.625)  ( 0.09,  0.07,  0.12)
166:     angle   ( 14.795,   1.490,  -2.461)  ( 14.798,   1.491,  -2.460)  ( 0.02,  0.05,  0.06)
166:     strbnd  ( -8.362,  -5.365,   9.214)  ( -8.362,  -5.366,   9.212)  ( 0.01,  0.01,  0.02)
166:     torsion (  0.021,  -0.143,   0.129)  (  0.021,  -0.143,   0.129)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.137,  -0.079)  ( -0.000,  -0.113,  -0.065)  ( 0.00,  0.34,  0.11)
166:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  3       ( -0.084,  -0.016,   0.020)  ( -0.082,  -0.019,   0.022)  ( 0.02,  0.00,  0.01)
166:     bond    ( -1.795,  -1.762,   3.022)  ( -1.793,  -1.760,   3.028)  ( 0.11,  0.11,  0.18)
166:     angle   ( -8.883,   2.272,  -3.938)  ( -8.882,   2.272,  -3.938)  ( 0.01,  0.00,  0.00)
166:     strbnd  (  5.080,   5.487,  -9.440)  (  5.080,   5.487,  -9.440)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.000,  -0.057,  -0.033)  (  0.000,  -0.056,  -0.033)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,   0.025,   0.014)  ( -0.000,   0.020,   0.012)  ( 0.00,  0.01,  0.00)
166:     vdw     (  2.113,   0.148,  -0.250)  (  2.113,   0.148,  -0.250)  ( 0.00,  0.00,  0.00)
166:     electro (  3.400,  -6.130,  10.644)  (  3.400,  -6.130,  10.644)  ( 0.00,  0.00,  0.00)
166:  4       ( -0.054,   0.575,   0.361)  ( -0.045,   0.530,   0.340)  ( 0.05,  2.57,  0.74)
166:     bond    (  1.797,  -0.285,   0.335)  (  1.804,  -0.284,   0.341)  ( 0.39,  0.05,  0.18)
166:     angle   ( -6.314,   1.453,  -2.828)  ( -6.313,   1.453,  -2.827)  ( 0.03,  0.02,  0.04)
166:     strbnd  (  0.607,  -1.012,   1.791)  (  0.607,  -1.012,   1.791)  ( 0.01,  0.01,  0.02)
166:     torsion (  0.002,   0.488,   0.281)  (  0.002,   0.488,   0.281)  ( 0.00,  0.02,  0.00)
166:     oop     ( -0.000,   0.284,   0.162)  ( -0.000,   0.237,   0.135)  ( 0.00,  1.33,  0.44)
166:     vdw     (  3.855,  -0.353,   0.619)  (  3.855,  -0.353,   0.619)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  5       (  0.018,  -0.203,  -0.165)  (  0.019,  -0.184,  -0.152)  ( 0.00,  0.39,  0.22)
166:     bond    ( -2.157,  -2.229,   3.948)  ( -2.156,  -2.228,   3.951)  ( 0.04,  0.04,  0.08)
166:     angle   ( -0.484,   0.182,  -0.161)  ( -0.483,   0.182,  -0.161)  ( 0.03,  0.00,  0.00)
166:     strbnd  (  0.577,   0.505,  -0.902)  (  0.577,   0.505,  -0.902)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.003,  -0.219,  -0.125)  ( -0.003,  -0.219,  -0.125)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.099,  -0.056)  ( -0.000,  -0.081,  -0.046)  ( 0.00,  0.18,  0.06)
166:     vdw     (  1.088,  -0.556,   0.972)  (  1.088,  -0.556,   0.972)  ( 0.00,  0.00,  0.00)
166:     electro (  0.996,   2.213,  -3.840)  (  0.996,   2.213,  -3.840)  ( 0.00,  0.00,  0.00)
166:  6       (  0.023,  -0.205,  -0.126)  (  0.027,  -0.191,  -0.117)  ( 0.01,  0.28,  0.10)
166:     bond    (  3.250,   0.122,  -0.167)  (  3.255,   0.122,  -0.167)  ( 0.15,  0.00,  0.00)
166:     angle   (  0.458,  -3.605,   6.307)  (  0.458,  -3.605,   6.308)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( -0.266,  -0.042,   0.065)  ( -0.266,  -0.042,   0.065)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.001,  -0.154,  -0.090)  (  0.001,  -0.153,  -0.090)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.001,  -0.093,  -0.053)  (  0.001,  -0.079,  -0.045)  ( 0.00,  0.13,  0.04)
166:     vdw     ( -0.044,   0.008,  -0.015)  ( -0.044,   0.008,  -0.015)  ( 0.00,  0.00,  0.00)
166:     electro ( -3.378,   3.559,  -6.174)  ( -3.378,   3.559,  -6.174)  ( 0.00,  0.00,  0.00)
166:  7       (  0.008,  -0.187,   0.604)  (  0.009,  -0.184,   0.605)  ( 0.00,  0.06,  0.03)
166:     bond    (  0.021,   0.069,  -0.002)  (  0.021,   0.073,  -0.002)  ( 0.00,  0.02,  0.00)
166:     angle   (  1.553,  -0.437,   0.860)  (  1.553,  -0.437,   0.860)  ( 0.03,  0.00,  0.04)
166:     strbnd  (  0.368,   0.645,  -0.047)  (  0.368,   0.645,  -0.047)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.043,  -0.004,   0.425)  (  0.043,  -0.004,   0.425)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.977,  -0.460,  -0.633)  ( -1.977,  -0.460,  -0.633)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  8       (  0.007,  -0.431,   0.471)  (  0.008,  -0.429,   0.474)  ( 0.00,  0.05,  0.12)
166:     bond    (  0.017,  -0.029,  -0.055)  (  0.018,  -0.028,  -0.053)  ( 0.00,  0.00,  0.01)
166:     angle   (  1.567,  -0.533,   0.815)  (  1.568,  -0.532,   0.815)  ( 0.03,  0.02,  0.01)
166:     strbnd  (  0.370,  -0.276,  -0.582)  (  0.370,  -0.276,  -0.582)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.044,  -0.368,   0.213)  (  0.044,  -0.368,   0.213)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.992,   0.775,   0.081)  ( -1.992,   0.775,   0.081)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  9       (  0.179,  -0.203,   0.341)  (  0.180,  -0.202,   0.343)  ( 0.02,  0.02,  0.08)
166:     bond    (  0.367,  -0.375,   0.641)  (  0.368,  -0.374,   0.643)  ( 0.02,  0.03,  0.13)
166:     angle   (  1.546,   0.380,  -0.664)  (  1.547,   0.380,  -0.664)  ( 0.03,  0.01,  0.01)
166:     strbnd  (  0.317,  -0.116,   0.199)  (  0.317,  -0.116,   0.199)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,   0.005,   0.003)  ( -0.000,   0.005,   0.003)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.052,  -0.097,   0.162)  ( -2.052,  -0.097,   0.162)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: ok 6 # gradients 
166: ok 7 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
166:  1       (  0.431,   0.382,   0.004)  (  0.436,   0.388,   0.009)  ( 0.22,  0.23,  0.00)
166:     bond    ( -4.893,   2.856,  -3.005)  ( -4.889,   2.861,  -3.000)  ( 0.09,  0.16,  0.15)
166:     angle   (  1.859,  -4.639,   2.751)  (  1.861,  -4.637,   2.752)  ( 0.10,  0.04,  0.06)
166:     strbnd  (  0.352,  -0.450,   0.642)  (  0.351,  -0.450,   0.641)  ( 0.05,  0.03,  0.04)
166:     torsion ( -0.296,  -0.439,   0.009)  ( -0.296,  -0.439,   0.009)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  5.689,   2.322,   0.608)  (  5.689,   2.322,   0.608)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.279,   0.731,  -1.001)  ( -2.279,   0.731,  -1.001)  ( 0.00,  0.00,  0.00)
166:  2       ( -0.776,  -0.622,  -0.218)  ( -0.780,  -0.606,  -0.189)  ( 0.23,  0.97,  0.62)
166:     bond    (  7.306,  -2.470,   3.157)  (  7.312,  -2.468,   3.158)  ( 0.07,  0.08,  0.02)
166:     angle   (  2.892,   8.647,  -4.003)  (  2.893,   8.648,  -4.002)  ( 0.01,  0.02,  0.01)
166:     strbnd  (-10.808,  -7.207,  -0.152)  (-10.809,  -7.207,  -0.152)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.221,   0.486,   0.955)  ( -0.221,   0.486,   0.955)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.054,  -0.078,  -0.175)  (  0.045,  -0.066,  -0.147)  ( 0.04,  0.09,  0.48)
166:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  3       (  0.077,  -0.215,  -0.263)  (  0.077,  -0.212,  -0.263)  ( 0.01,  0.07,  0.02)
166:     bond    (  0.045,   0.977,   0.187)  (  0.045,   0.980,   0.187)  ( 0.00,  0.32,  0.00)
166:     angle   ( -5.704,   0.511,  -1.299)  ( -5.703,   0.511,  -1.299)  ( 0.01,  0.00,  0.04)
166:     strbnd  ( -0.435,   0.449,  -0.226)  ( -0.435,   0.449,  -0.226)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.156,  -0.037,   0.231)  ( -0.156,  -0.037,   0.231)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  6.326,  -2.115,   0.844)  (  6.326,  -2.115,   0.844)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  4       ( -0.154,  -0.035,   0.283)  ( -0.151,  -0.034,   0.284)  ( 0.04,  0.00,  0.03)
166:     bond    ( -0.518,  -0.212,   0.225)  ( -0.515,  -0.211,   0.226)  ( 0.13,  0.01,  0.01)
166:     angle   (  0.309,  -0.045,   0.666)  (  0.310,  -0.044,   0.666)  ( 0.01,  0.00,  0.03)
166:     strbnd  ( -0.108,   0.417,  -0.398)  ( -0.108,   0.418,  -0.398)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.012,  -0.211,  -0.225)  ( -0.012,  -0.211,  -0.225)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.175,   0.014,   0.016)  (  0.175,   0.014,   0.016)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  5       ( -0.220,  -0.180,  -0.107)  ( -0.219,  -0.179,  -0.104)  ( 0.01,  0.01,  0.04)
166:     bond    (  0.005,  -0.076,  -0.456)  (  0.005,  -0.076,  -0.453)  ( 0.00,  0.00,  0.15)
166:     angle   ( -1.188,  -0.996,   0.154)  ( -1.187,  -0.996,   0.154)  ( 0.05,  0.05,  0.00)
166:     strbnd  ( -0.441,   0.249,  -0.473)  ( -0.441,   0.249,  -0.473)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.429,   0.568,  -0.091)  (  0.429,   0.568,  -0.091)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.975,   0.076,   0.758)  (  0.975,   0.076,   0.758)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  6       (  0.815,   1.141,  -0.215)  (  0.856,   1.101,  -0.316)  ( 3.35,  3.49,  2.17)
166:     bond    ( -0.770,  -0.798,   0.110)  ( -0.761,  -0.793,   0.112)  ( 0.74,  0.41,  0.02)
166:     angle   ( -6.533,  -4.058,  -0.587)  ( -6.531,  -4.056,  -0.587)  ( 0.02,  0.05,  0.02)
166:     strbnd  ( 13.048,   4.199,   2.149)  ( 13.046,   4.199,   2.149)  ( 0.02,  0.01,  0.01)
166:     torsion (  0.259,  -0.370,  -0.890)  (  0.259,  -0.370,  -0.889)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.183,   0.268,   0.599)  ( -0.151,   0.221,   0.495)  ( 0.59,  1.25,  6.20)
166:     vdw     ( -5.005,   1.900,  -1.595)  ( -5.005,   1.900,  -1.595)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  7       ( -0.169,  -0.110,  -0.044)  ( -0.176,  -0.088,   0.004)  ( 0.13,  0.25,  0.21)
166:     bond    ( -1.232,   0.565,  -0.626)  ( -1.226,   0.566,  -0.625)  ( 0.52,  0.08,  0.10)
166:     angle   ( -0.414,  -0.699,   0.179)  ( -0.414,  -0.698,   0.179)  ( 0.01,  0.04,  0.00)
166:     strbnd  ( -1.351,   0.487,  -0.628)  ( -1.351,   0.487,  -0.628)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.063,   0.092,   0.208)  ( -0.063,   0.092,   0.208)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.065,  -0.095,  -0.213)  (  0.051,  -0.074,  -0.167)  ( 0.09,  0.19,  0.98)
166:     vdw     ( -0.079,   0.007,  -0.027)  ( -0.079,   0.007,  -0.027)  ( 0.00,  0.00,  0.00)
166:     electro (  2.906,  -0.466,   1.064)  (  2.906,  -0.466,   1.064)  ( 0.00,  0.00,  0.00)
166:  8       ( -0.035,  -0.388,   0.541)  ( -0.043,  -0.371,   0.574)  ( 0.03,  0.66,  1.76)
166:     bond    (  0.028,  -0.862,   0.394)  (  0.028,  -0.860,   0.395)  ( 0.00,  0.24,  0.02)
166:     angle   (  8.772,   1.272,   2.136)  (  8.772,   1.272,   2.136)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( -0.253,   1.856,  -0.912)  ( -0.253,   1.856,  -0.912)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.061,  -0.089,  -0.197)  (  0.061,  -0.089,  -0.197)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.065,  -0.096,  -0.213)  (  0.055,  -0.081,  -0.181)  ( 0.06,  0.14,  0.68)
166:     vdw     ( -8.081,  -2.204,  -0.604)  ( -8.081,  -2.204,  -0.604)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.627,  -0.265,  -0.063)  ( -0.627,  -0.265,  -0.063)  ( 0.00,  0.00,  0.00)
166: ok 8 # gradients 
166: ok 9 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
166:  1       (  6.021,  -8.841,  15.336)  (  6.025,  -8.837,  15.339)  ( 0.07,  0.04,  0.02)
166:     bond    ( 13.697, -19.381,  33.622)  ( 13.700, -19.379,  33.624)  ( 0.02,  0.02,  0.01)
166:     angle   ( -4.188,   5.759,  -9.944)  ( -4.187,   5.761,  -9.942)  ( 0.03,  0.02,  0.02)
166:     strbnd  ( -3.294,   4.646,  -8.104)  ( -3.295,   4.645,  -8.105)  ( 0.02,  0.01,  0.01)
166:     torsion ( -0.194,   0.135,  -0.238)  ( -0.194,   0.135,  -0.238)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  2       ( -9.933,  -2.704,   4.639)  ( -9.929,  -2.699,   4.644)  ( 0.04,  0.19,  0.11)
166:     bond    (-13.151,   0.001,   0.002)  (-13.148,   0.005,   0.006)  ( 0.03,  0.00,  0.00)
166:     angle   ( -5.431,  -2.186,   3.739)  ( -5.429,  -2.184,   3.741)  ( 0.03,  0.08,  0.04)
166:     strbnd  (  4.098,  -2.031,   3.530)  (  4.097,  -2.031,   3.529)  ( 0.04,  0.02,  0.01)
166:     torsion ( -0.000,   0.166,  -0.285)  (  0.000,   0.166,  -0.285)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  3       (  3.813,   8.396,   5.795)  (  3.819,   8.400,   5.800)  ( 0.14,  0.05,  0.09)
166:     bond    (  4.362,  12.392,  -0.017)  (  4.366,  12.395,  -0.013)  ( 0.09,  0.03,  0.01)
166:     angle   (  3.888,   4.351,   3.744)  (  3.890,   4.353,   3.746)  ( 0.05,  0.04,  0.04)
166:     strbnd  (  0.568,  -4.531,   3.529)  (  0.568,  -4.532,   3.529)  ( 0.03,  0.03,  0.01)
166:     torsion (  0.479,  -0.170,   0.882)  (  0.479,  -0.170,   0.882)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  4       (  3.726,  -9.185,  -4.409)  (  3.731,  -9.180,  -4.405)  ( 0.14,  0.05,  0.09)
166:     bond    (  4.377,  -6.197, -10.754)  (  4.381,  -6.194, -10.751)  ( 0.09,  0.06,  0.03)
166:     angle   (  3.836,  -5.397,  -1.958)  (  3.837,  -5.396,  -1.956)  ( 0.05,  0.03,  0.09)
166:     strbnd  (  0.555,  -0.774,   5.727)  (  0.555,  -0.774,   5.725)  ( 0.03,  0.04,  0.02)
166:     torsion (  0.478,  -0.675,   0.585)  (  0.478,  -0.675,   0.585)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  5       ( -2.313,  28.066,   0.105)  ( -2.312,  28.068,   0.106)  ( 0.04,  0.01,  0.01)
166:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
166:     angle   (  1.760,   0.623,  -0.007)  (  1.760,   0.623,  -0.006)  ( 0.03,  0.00,  0.00)
166:     strbnd  ( -1.908,  -0.349,   0.000)  ( -1.908,  -0.349,   0.000)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,   0.152)  (  0.000,   0.000,   0.152)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  6       ( -9.233, -13.275,  23.034)  ( -9.232, -13.274,  23.036)  ( 0.01,  0.01,  0.01)
166:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
166:     angle   (  1.828,  -0.303,   0.571)  (  1.829,  -0.302,   0.572)  ( 0.02,  0.01,  0.01)
166:     strbnd  ( -1.910,   0.171,  -0.295)  ( -1.910,   0.171,  -0.295)  ( 0.00,  0.00,  0.00)
167: # Testing MMFF94 Force Field...
167: ok 1 # energy 
167: ----------------------------------------------------------------------------------------
167:                                                                                         
167:   VALIDATE GRADIENTS : cudpas.xyz
167:                                                                                         
167:                                                                                         
167: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
167: ----------------------------------------------------------------------------------------
167:  1       (  0.007,  -0.034,  -0.015)  (  0.020,  -0.030,  -0.011)  ( 0.01,  0.01,  0.01)
167:     bond    ( -0.627,  15.886,  -4.916)  ( -0.627,  15.888,  -4.911)  ( 0.02,  0.01,  0.10)
167:     angle   (  0.285,  -5.925,   1.613)  (  0.285,  -5.923,   1.613)  ( 0.00,  0.03,  0.02)
167:     strbnd  (  0.281,  -0.139,   0.833)  (  0.281,  -0.139,   0.834)  ( 0.00,  0.00,  0.06)
167:     torsion (  1.474,  -0.034,  -0.301)  (  1.475,  -0.034,  -0.301)  ( 0.05,  0.00,  0.00)
167:     oop     ( -0.070,   0.000,   0.013)  ( -0.058,   0.000,   0.010)  ( 0.08,  0.00,  0.00)
167:     vdw     (  0.215,  -8.567,   1.182)  (  0.215,  -8.567,   1.182)  ( 0.00,  0.00,  0.00)
167:     electro ( -1.551,  -1.255,   1.561)  ( -1.551,  -1.255,   1.561)  ( 0.00,  0.00,  0.00)
167:  2       (  0.000,   0.058,   0.027)  (  0.024,   0.065,   0.030)  ( 0.00,  0.04,  0.01)
167:     bond    ( -2.164,  -2.951,  -9.934)  ( -2.163,  -2.945,  -9.929)  ( 0.01,  0.20,  0.05)
167:     angle   ( -0.734,   3.034,  -3.472)  ( -0.734,   3.036,  -3.470)  ( 0.01,  0.06,  0.05)
167:     strbnd  ( -0.457,   4.090,  -1.781)  ( -0.457,   4.089,  -1.781)  ( 0.00,  0.01,  0.01)
167:     torsion ( -0.364,   0.018,   0.072)  ( -0.363,   0.018,   0.072)  ( 0.04,  0.00,  0.00)
167:     oop     ( -0.132,  -0.000,   0.028)  ( -0.109,  -0.000,   0.023)  ( 0.29,  0.00,  0.01)
167:     vdw     (  2.945,  -6.240,  14.926)  (  2.945,  -6.240,  14.926)  ( 0.00,  0.00,  0.00)
167:     electro (  0.905,   2.108,   0.188)  (  0.905,   2.108,   0.188)  ( 0.00,  0.00,  0.00)
167:  3       ( -0.013,  -0.134,  -0.004)  ( -0.081,  -0.127,   0.017)  ( 0.09,  0.09,  0.01)
167:     bond    ( -2.856,   1.520, -14.141)  ( -2.856,   1.526, -14.136)  ( 0.01,  0.37,  0.04)
167:     angle   (  0.155,   3.466,   1.738)  (  0.155,   3.468,   1.740)  ( 0.00,  0.05,  0.09)
167:     strbnd  ( -0.578,  -2.580,  -2.569)  ( -0.578,  -2.580,  -2.569)  ( 0.00,  0.01,  0.00)
167:     torsion (  5.075,   0.158,  -0.979)  (  5.077,   0.158,  -0.979)  ( 0.02,  0.00,  0.00)
167:     oop     (  0.439,   0.006,  -0.089)  (  0.369,   0.005,  -0.074)  ( 3.06,  0.00,  0.13)
167:     vdw     ( -0.451,   3.238,  15.457)  ( -0.451,   3.238,  15.457)  ( 0.00,  0.01,  0.00)
167:     electro ( -1.798,  -5.942,   0.580)  ( -1.798,  -5.942,   0.580)  ( 0.00,  0.00,  0.00)
167:  4       (  0.002,   0.065,  -0.009)  (  0.146,   0.078,   0.012)  ( 0.03,  0.08,  0.02)
167:     bond    (  0.739,  -9.087,   3.961)  (  0.739,  -9.082,   3.966)  ( 0.03,  0.05,  0.13)
167:     angle   (  9.507,   2.833,   4.739)  (  9.507,   2.835,   4.740)  ( 0.00,  0.07,  0.03)
167:     strbnd  ( -2.902,   7.782,  -9.865)  ( -2.902,   7.782,  -9.865)  ( 0.01,  0.00,  0.00)
167:     torsion ( -1.466,  -0.116,   0.262)  ( -1.465,  -0.116,   0.263)  ( 0.07,  0.00,  0.00)
167:     oop     ( -0.861,  -0.029,   0.012)  ( -0.719,  -0.023,   0.026)  (12.21,  0.02,  0.02)
167:     vdw     ( -5.002,  -2.445,  -0.447)  ( -5.002,  -2.445,  -0.447)  ( 0.00,  0.01,  0.00)
167:     electro ( -0.012,   1.128,   1.328)  ( -0.012,   1.127,   1.328)  ( 0.00,  0.00,  0.00)
167:  5       (  0.005,  -0.046,   0.001)  ( -0.130,  -0.039,   0.034)  ( 0.07,  0.03,  0.00)
167:     bond    (  3.837,  -3.968,  21.878)  (  3.837,  -3.963,  21.884)  ( 0.01,  0.13,  0.03)
167:     angle   (  0.847, -10.923,   3.951)  (  0.847, -10.921,   3.952)  ( 0.01,  0.02,  0.05)
167:     strbnd  ( -1.746,  12.103, -11.050)  ( -1.746,  12.103, -11.050)  ( 0.01,  0.00,  0.01)
167:     torsion ( -3.129,  -0.067,   0.763)  ( -3.128,  -0.067,   0.763)  ( 0.04,  0.00,  0.00)
167:     oop     (  0.796,   0.002,  -0.144)  (  0.659,   0.002,  -0.119)  (10.87,  0.00,  0.36)
167:     vdw     ( -1.003,   0.572, -15.165)  ( -1.003,   0.573, -15.165)  ( 0.00,  0.01,  0.00)
167:     electro (  0.403,   2.234,  -0.231)  (  0.403,   2.234,  -0.231)  ( 0.00,  0.00,  0.00)
167:  6       ( -0.014,   0.019,  -0.059)  ( -0.034,   0.026,  -0.048)  ( 0.03,  0.01,  0.07)
167:     bond    (  2.360,   2.726,  12.251)  (  2.360,   2.732,  12.256)  ( 0.01,  0.21,  0.04)
167:     angle   ( -0.066,   1.649,  -0.869)  ( -0.066,   1.650,  -0.868)  ( 0.00,  0.11,  0.16)
167:     strbnd  (  0.208,   6.438,   1.157)  (  0.208,   6.438,   1.157)  ( 0.00,  0.01,  0.00)
167:     torsion ( -0.540,   0.017,   0.090)  ( -0.539,   0.017,   0.090)  ( 0.06,  0.00,  0.00)
167:     oop     (  0.087,  -0.000,  -0.019)  (  0.064,  -0.000,  -0.014)  ( 0.19,  0.00,  0.01)
167:     vdw     ( -2.723, -10.804, -13.580)  ( -2.723, -10.804, -13.580)  ( 0.00,  0.00,  0.00)
167:     electro (  0.661,  -0.008,   0.910)  (  0.661,  -0.008,   0.910)  ( 0.00,  0.00,  0.00)
167:  7       ( -0.000,  -0.025,   0.003)  (  0.044,  -0.019,  -0.000)  ( 0.00,  0.02,  0.00)
167:     bond    ( -0.276,   9.120,  -8.956)  ( -0.276,   9.125,  -8.952)  ( 0.01,  0.06,  0.04)
167:     angle   ( -2.902,   6.048,  -7.259)  ( -2.902,   6.049,  -7.258)  ( 0.00,  0.01,  0.01)
167:     strbnd  (  4.031,  -4.453,  22.176)  (  4.031,  -4.453,  22.175)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.760,  -0.466,  -0.265)  (  0.760,  -0.466,  -0.265)  ( 0.02,  0.00,  0.00)
167:     oop     ( -0.230,   0.002,   0.039)  ( -0.186,   0.002,   0.031)  ( 1.01,  0.00,  0.03)
167:     vdw     (  1.328,  -4.801,  -4.259)  (  1.328,  -4.800,  -4.259)  ( 0.00,  0.00,  0.00)
167:     electro ( -2.711,  -5.475,  -1.472)  ( -2.711,  -5.475,  -1.472)  ( 0.00,  0.00,  0.00)
167:  8       ( -0.053,   0.027,  -0.033)  ( -0.216,  -0.497,  -0.226)  ( 0.87,  1.39,  0.64)
167:     bond    ( -3.938,   9.942,  -2.316)  ( -3.934,   9.949,  -2.315)  ( 0.12,  0.07,  0.05)
167:     angle   ( -3.540, -17.066,  -4.696)  ( -3.538, -17.064,  -4.695)  ( 0.04,  0.01,  0.02)
167:     strbnd  (  4.437,  -1.012,   2.201)  (  4.437,  -1.013,   2.201)  ( 0.01,  0.09,  0.00)
167:     torsion (  2.311,  -0.228,  -0.758)  (  2.312,  -0.228,  -0.757)  ( 0.01,  0.00,  0.04)
167:     oop     (  1.408,   4.166,   1.238)  (  1.240,   3.633,   1.042)  (11.95, 12.78, 15.83)
167:     vdw     ( -0.128,   4.264,   1.509)  ( -0.128,   4.264,   1.509)  ( 0.00,  0.00,  0.01)
167:     electro ( -0.604,  -0.039,   2.789)  ( -0.604,  -0.039,   2.789)  ( 0.00,  0.00,  0.00)
167:  9       (  0.038,  -0.049,   0.024)  (  0.022,  -0.042,   0.070)  ( 0.06,  0.04,  0.11)
167:     bond    ( -6.811, -11.830,  -2.866)  ( -6.806, -11.826,  -2.865)  ( 0.08,  0.03,  0.04)
167:     angle   ( -5.541,  23.308,  -2.368)  ( -5.540,  23.310,  -2.368)  ( 0.01,  0.01,  0.01)
167:     strbnd  ( -9.346, -15.538,  -3.964)  ( -9.346, -15.538,  -3.964)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.130,   0.142,  -0.104)  ( -0.130,   0.142,  -0.103)  ( 0.00,  0.00,  0.01)
167:     oop     (  0.089,  -0.009,  -0.185)  (  0.068,  -0.007,  -0.140)  ( 0.19,  0.00,  0.82)
167:     vdw     (  4.010,   3.065,   1.034)  (  4.010,   3.065,   1.034)  ( 0.00,  0.00,  0.00)
167:     electro ( 17.767,   0.813,   8.478)  ( 17.767,   0.813,   8.478)  ( 0.00,  0.00,  0.00)
167: 10       ( -0.019,   0.024,  -0.011)  ( -0.016,   0.025,  -0.010)  ( 0.01,  0.00,  0.00)
167:     bond    ( -2.271,   0.707,  -0.996)  ( -2.268,   0.707,  -0.996)  ( 0.12,  0.02,  0.05)
167:     angle   ( -3.799, -14.334,  -1.531)  ( -3.799, -14.334,  -1.531)  ( 0.00,  0.00,  0.00)
167:     strbnd  ( -3.911,   0.756,  -1.713)  ( -3.911,   0.756,  -1.713)  ( 0.00,  0.01,  0.00)
167:     torsion ( -1.084,   0.022,   2.483)  ( -1.084,   0.022,   2.483)  ( 0.00,  0.00,  0.01)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( 12.753,  14.661,   1.096)  ( 12.753,  14.662,   1.096)  ( 0.00,  0.00,  0.00)
167:     electro ( -1.708,  -1.788,   0.651)  ( -1.708,  -1.788,   0.651)  ( 0.00,  0.00,  0.00)
167: 11       (  0.015,  -0.026,   0.001)  (  0.771,   2.628,   0.451)  ( 1.12,  6.89,  0.06)
167:     bond    (  3.189,  -2.270,  -2.910)  (  3.195,  -2.269,  -2.901)  ( 0.19,  0.03,  0.31)
167:     angle   (-10.982,  12.274, -10.144)  (-10.980,  12.275, -10.142)  ( 0.02,  0.01,  0.02)
167:     strbnd  (  9.932,  -4.142,   5.975)  (  9.932,  -4.142,   5.974)  ( 0.01,  0.00,  0.01)
167:     torsion (  1.366,   0.855,  -1.969)  (  1.366,   0.855,  -1.969)  ( 0.00,  0.01,  0.00)
167:     oop     ( -4.523, -15.083,  -2.694)  ( -3.775, -12.431,  -2.255)  (16.55, 17.58, 16.29)
167:     vdw     ( -4.277,   7.452,   2.371)  ( -4.277,   7.452,   2.371)  ( 0.00,  0.00,  0.00)
167:     electro (  5.310,   0.888,   9.373)  (  5.310,   0.888,   9.373)  ( 0.00,  0.00,  0.00)
167: 12       ( -0.011,   0.000,   0.007)  ( -0.290,  -1.084,  -0.175)  ( 0.29,  0.02,  0.14)
167:     bond    ( 10.583,  -1.441,  -7.782)  ( 10.587,  -1.441,  -7.780)  ( 0.04,  0.01,  0.03)
167:     angle   (  6.221,  -3.313,   9.078)  (  6.221,  -3.312,   9.079)  ( 0.01,  0.00,  0.01)
167:     strbnd  (  0.003,  -0.237,   0.497)  (  0.003,  -0.237,   0.497)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.228,  -0.717,  -0.178)  ( -0.228,  -0.717,  -0.178)  ( 0.00,  0.00,  0.00)
167:     oop     (  1.512,   5.503,   1.038)  (  1.228,   4.419,   0.853)  (18.78, 19.70, 17.87)
167:     vdw     ( -3.491,   1.297,  -0.137)  ( -3.491,   1.297,  -0.137)  ( 0.00,  0.00,  0.00)
167:     electro (-14.610,  -1.093,  -2.508)  (-14.609,  -1.093,  -2.508)  ( 0.00,  0.00,  0.00)
167: 13       ( -0.004,   0.006,  -0.028)  ( -0.292,  -1.034,  -0.161)  ( 0.12,  0.58,  0.38)
167:     bond    ( -0.347,  -2.236,  17.411)  ( -0.347,  -2.236,  17.418)  ( 0.00,  0.01,  0.04)
167:     angle   (  8.341,  -2.202,  -0.117)  (  8.342,  -2.202,  -0.117)  ( 0.01,  0.01,  0.00)
167:     strbnd  (  0.537,  -0.164,  -1.098)  (  0.537,  -0.164,  -1.098)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.007,   0.019,   0.003)  (  0.007,   0.019,   0.003)  ( 0.00,  0.00,  0.00)
167:     oop     (  1.643,   5.440,   0.731)  (  1.355,   4.400,   0.592)  (17.57, 19.11, 10.18)
167:     vdw     ( -4.303,   6.079,  -2.483)  ( -4.303,   6.079,  -2.483)  ( 0.00,  0.00,  0.00)
167:     electro ( -5.883,  -6.929, -14.476)  ( -5.883,  -6.929, -14.476)  ( 0.00,  0.00,  0.00)
167: 14       ( -0.006,   0.009,  -0.025)  ( -0.009,   0.010,  -0.021)  ( 0.00,  0.00,  0.01)
167:     bond    ( -0.262,   0.572,  -1.210)  ( -0.262,   0.573,  -1.207)  ( 0.00,  0.04,  0.25)
167:     angle   (  0.025,   0.262,   0.119)  (  0.025,   0.263,   0.119)  ( 0.00,  0.02,  0.00)
167:     strbnd  ( -0.068,  -0.555,  -0.311)  ( -0.068,  -0.555,  -0.311)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.529,  -0.000,   0.115)  ( -0.529,  -0.000,   0.115)  ( 0.01,  0.00,  0.00)
167:     oop     (  0.026,   0.000,  -0.006)  (  0.022,   0.000,  -0.005)  ( 0.01,  0.00,  0.00)
167:     vdw     (  0.090,  -0.573,   0.418)  (  0.090,  -0.573,   0.418)  ( 0.00,  0.00,  0.00)
167:     electro (  0.711,   0.304,   0.851)  (  0.711,   0.304,   0.851)  ( 0.00,  0.00,  0.00)
167: 15       (  0.011,   0.025,   0.020)  (  0.026,   0.027,   0.019)  ( 0.02,  0.00,  0.00)
167:     bond    ( -0.317,  -1.110,  -1.455)  ( -0.317,  -1.109,  -1.453)  ( 0.00,  0.12,  0.16)
167:     angle   (  0.046,  -0.282,   0.205)  (  0.046,  -0.282,   0.205)  ( 0.00,  0.01,  0.00)
167:     strbnd  ( -0.095,   0.271,  -0.498)  ( -0.095,   0.271,  -0.498)  ( 0.00,  0.00,  0.00)
167:     torsion ( -1.381,   0.015,   0.290)  ( -1.380,   0.015,   0.290)  ( 0.02,  0.00,  0.00)
167:     oop     ( -0.079,   0.000,   0.017)  ( -0.065,   0.000,   0.014)  ( 0.11,  0.00,  0.01)
167:     vdw     ( -0.910,  -2.950,   3.814)  ( -0.910,  -2.950,   3.814)  ( 0.00,  0.00,  0.00)
167:     electro (  2.748,   4.081,  -2.353)  (  2.748,   4.081,  -2.353)  ( 0.00,  0.00,  0.00)
167: 16       ( -0.000,  -0.001,   0.020)  (  0.015,   0.001,   0.020)  ( 0.00,  0.00,  0.00)
167:     bond    (  0.218,   1.033,   1.174)  (  0.219,   1.034,   1.176)  ( 0.00,  0.16,  0.18)
167:     angle   ( -0.076,   0.463,  -0.393)  ( -0.076,   0.463,  -0.393)  ( 0.00,  0.02,  0.01)
167:     strbnd  (  0.016,  -0.834,   0.057)  (  0.016,  -0.834,   0.057)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.089,  -0.002,   0.018)  ( -0.089,  -0.002,   0.018)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.109,   0.000,   0.020)  ( -0.094,   0.000,   0.017)  ( 0.17,  0.00,  0.01)
167:     vdw     (  0.013,  -2.157,   0.235)  (  0.013,  -2.157,   0.235)  ( 0.00,  0.00,  0.00)
167:     electro (  0.026,   1.497,  -1.090)  (  0.026,   1.496,  -1.090)  ( 0.00,  0.00,  0.00)
167: 17       ( -0.000,   0.006,  -0.002)  ( -0.000,   0.011,  -0.001)  ( 0.00,  0.00,  0.00)
167:     bond    ( -1.080,  -6.670,   0.744)  ( -1.080,  -6.665,   0.744)  ( 0.02,  0.08,  0.01)
167:     angle   (  2.207,   0.691,   9.393)  (  2.207,   0.691,   9.393)  ( 0.00,  0.00,  0.00)
167:     strbnd  ( -0.344,  -1.784,  -0.047)  ( -0.344,  -1.784,  -0.047)  ( 0.00,  0.00,  0.00)
167:     torsion ( -2.062,   0.385,   0.456)  ( -2.062,   0.385,   0.456)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.933,  -2.094,  -5.972)  (  0.933,  -2.094,  -5.971)  ( 0.00,  0.00,  0.00)
167:     electro (  0.346,   9.478,  -4.577)  (  0.346,   9.478,  -4.577)  ( 0.00,  0.00,  0.00)
167: ok 2 # gradients 
167: ok 3 # energy 
167: ----------------------------------------------------------------------------------------
167:                                                                                         
167:   VALIDATE GRADIENTS : fadvub.xyz
167:                                                                                         
167:                                                                                         
167: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
167: ----------------------------------------------------------------------------------------
167:  1       (  0.032,  -0.022,  -0.017)  (  0.040,  -0.014,  -0.012)  ( 0.03,  0.02,  0.01)
167:     bond    (  4.193,  -0.133,   4.673)  (  4.200,  -0.126,   4.676)  ( 0.15,  0.09,  0.07)
167:     angle   (-17.099,  -3.471,  -8.358)  (-17.096,  -3.469,  -8.356)  ( 0.01,  0.07,  0.03)
167:     strbnd  (  4.695,   5.793,   5.057)  (  4.694,   5.792,   5.057)  ( 0.02,  0.01,  0.01)
167:     torsion ( -0.415,  -0.232,   3.381)  ( -0.415,  -0.232,   3.381)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.119,  -2.488,  -2.762)  ( -0.119,  -2.488,  -2.762)  ( 0.00,  0.00,  0.00)
167:     electro (  8.777,   0.508,  -2.008)  (  8.777,   0.508,  -2.008)  ( 0.00,  0.00,  0.00)
167:  2       ( -0.013,   0.003,   0.000)  ( -0.008,   0.006,   0.001)  ( 0.01,  0.00,  0.00)
167:     bond    (  1.103,  -0.872,   0.032)  (  1.108,  -0.869,   0.032)  ( 0.43,  0.26,  0.00)
167:     angle   (  5.971,   7.760,   4.115)  (  5.971,   7.760,   4.115)  ( 0.00,  0.01,  0.02)
167:     strbnd  ( -1.798,   1.228,  -0.204)  ( -1.798,   1.228,  -0.204)  ( 0.00,  0.01,  0.00)
167:     torsion ( -0.240,  -0.377,  -1.934)  ( -0.240,  -0.377,  -1.934)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -3.447,  -0.778,  -4.529)  ( -3.447,  -0.778,  -4.529)  ( 0.00,  0.00,  0.00)
167:     electro ( -1.601,  -6.958,   2.522)  ( -1.601,  -6.958,   2.522)  ( 0.00,  0.00,  0.00)
167:  3       ( -0.004,   0.032,   0.024)  ( -0.000,   0.037,   0.026)  ( 0.00,  0.02,  0.00)
167:     bond    (  2.117,   3.479,   0.356)  (  2.120,   3.484,   0.357)  ( 0.15,  0.14,  0.04)
167:     angle   (  5.205,   1.489,   6.637)  (  5.206,   1.489,   6.638)  ( 0.02,  0.02,  0.01)
167:     strbnd  (  0.649,  -4.129,  -1.875)  (  0.649,  -4.130,  -1.875)  ( 0.00,  0.01,  0.01)
167:     torsion ( -1.574,   1.955,  -4.025)  ( -1.574,   1.955,  -4.025)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -1.957,  -2.115,  -2.420)  ( -1.957,  -2.115,  -2.420)  ( 0.00,  0.00,  0.00)
167:     electro ( -4.445,  -0.646,   1.351)  ( -4.445,  -0.646,   1.351)  ( 0.00,  0.00,  0.00)
167:  4       (  0.013,   0.008,   0.009)  (  0.018,   0.014,   0.015)  ( 0.01,  0.00,  0.01)
167:     bond    ( -4.350,  -2.902,   1.332)  ( -4.346,  -2.898,   1.336)  ( 0.09,  0.15,  0.33)
167:     angle   (  2.535,   3.636,  -0.898)  (  2.537,   3.638,  -0.897)  ( 0.07,  0.05,  0.15)
167:     strbnd  ( -0.741,  -1.162,   0.765)  ( -0.742,  -1.163,   0.764)  ( 0.06,  0.04,  0.04)
167:     torsion (  0.668,  -0.672,   0.545)  (  0.668,  -0.672,   0.545)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.251,   0.436,  -2.285)  (  0.251,   0.436,  -2.285)  ( 0.00,  0.00,  0.00)
167:     electro (  1.651,   0.673,   0.551)  (  1.651,   0.673,   0.551)  ( 0.00,  0.00,  0.00)
167:  5       ( -0.017,  -0.028,  -0.024)  ( -0.011,  -0.023,  -0.020)  ( 0.01,  0.01,  0.01)
167:     bond    ( -5.276,  10.539,   0.735)  ( -5.272,  10.543,   0.738)  ( 0.08,  0.04,  0.23)
167:     angle   (  5.214, -11.328,   4.079)  (  5.216, -11.326,   4.081)  ( 0.04,  0.02,  0.05)
167:     strbnd  (  0.208,   1.026,  -1.791)  (  0.207,   1.025,  -1.792)  ( 0.01,  0.09,  0.06)
167:     torsion (  1.012,   1.023,  -1.293)  (  1.012,   1.023,  -1.293)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -3.996,  -2.526,  -2.331)  ( -3.996,  -2.526,  -2.331)  ( 0.00,  0.00,  0.00)
167:     electro (  2.822,   1.238,   0.577)  (  2.822,   1.238,   0.577)  ( 0.00,  0.00,  0.00)
167:  6       (  0.047,   0.015,  -0.035)  (  0.053,   0.020,  -0.030)  ( 0.03,  0.01,  0.02)
167:     bond    (  3.643,  -8.573,  -2.156)  (  3.647,  -8.569,  -2.152)  ( 0.12,  0.05,  0.18)
167:     angle   ( -3.553,  12.963,  -7.820)  ( -3.551,  12.965,  -7.818)  ( 0.05,  0.02,  0.03)
167:     strbnd  (  3.941,  -0.711,   4.570)  (  3.941,  -0.712,   4.569)  ( 0.01,  0.05,  0.02)
167:     torsion ( -0.466,  -2.160,   2.319)  ( -0.466,  -2.160,   2.319)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -3.518,  -1.505,   3.052)  ( -3.518,  -1.505,   3.052)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:  7       (  0.020,   0.062,  -0.058)  ( -0.071,   0.288,  -0.172)  ( 0.18,  1.40,  0.66)
167:     bond    ( 11.219,  18.634,   3.192)  ( 11.222,  18.638,   3.196)  ( 0.03,  0.02,  0.12)
167:     angle   ( -2.190, -11.744,   1.811)  ( -2.188, -11.742,   1.813)  ( 0.09,  0.02,  0.12)
167:     strbnd  ( -6.827,  -7.330,  -8.396)  ( -6.828,  -7.331,  -8.397)  ( 0.01,  0.01,  0.01)
167:     torsion ( -2.070,   0.870,   0.194)  ( -2.070,   0.870,   0.194)  ( 0.00,  0.00,  0.00)
167:     oop     (  1.043,  -2.385,   1.346)  (  0.948,  -2.164,   1.226)  ( 9.15,  9.24,  8.89)
167:     vdw     ( -0.143,   1.896,   2.023)  ( -0.143,   1.896,   2.023)  ( 0.00,  0.00,  0.00)
167:     electro ( -1.011,   0.120,  -0.229)  ( -1.011,   0.120,  -0.229)  ( 0.00,  0.00,  0.00)
167:  8       ( -0.037,  -0.036,   0.030)  ( -0.030,  -0.029,   0.037)  ( 0.03,  0.02,  0.02)
167:     bond    ( 31.436,  -5.462,  -8.582)  ( 31.441,  -5.456,  -8.577)  ( 0.02,  0.09,  0.06)
167:     angle   ( 24.318,   2.673, -13.460)  ( 24.320,   2.675, -13.458)  ( 0.01,  0.08,  0.02)
167:     strbnd  ( -3.349,   3.958,   4.185)  ( -3.349,   3.958,   4.185)  ( 0.01,  0.01,  0.01)
167:     torsion (  0.865,   0.668,  -0.128)  (  0.865,   0.668,  -0.128)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (-15.296,  -0.490,   6.181)  (-15.295,  -0.490,   6.182)  ( 0.00,  0.00,  0.00)
167:     electro (-38.012,  -1.383,  11.833)  (-38.012,  -1.383,  11.833)  ( 0.00,  0.01,  0.00)
167:  9       ( -0.084,   0.011,   0.103)  (  0.977,  -2.037,   1.266)  ( 8.96,  2.15, 12.00)
167:     bond    (-24.944,   7.709,  33.079)  (-24.940,   7.712,  33.088)  ( 0.01,  0.04,  0.03)
167:     angle   (-17.079,   0.187,  13.198)  (-17.077,   0.188,  13.199)  ( 0.01,  0.02,  0.01)
167:     strbnd  ( 11.466,  -5.334, -19.281)  ( 11.465,  -5.335, -19.282)  ( 0.01,  0.01,  0.01)
167:     torsion (  0.142,  -0.694,  -0.397)  (  0.142,  -0.694,  -0.396)  ( 0.00,  0.00,  0.00)
167:     oop     ( -4.647,   9.685,  -5.474)  ( -3.590,   7.635,  -4.320)  (22.74, 21.18, 21.08)
167:     vdw     (  6.485,  -1.479,  -2.117)  (  6.485,  -1.479,  -2.117)  ( 0.00,  0.00,  0.00)
167:     electro ( 28.493, -10.064, -18.905)  ( 28.493, -10.064, -18.904)  ( 0.00,  0.00,  0.00)
167: 10       (  0.052,  -0.027,  -0.107)  ( -0.475,   0.999,  -0.671)  ( 2.75,  2.73,  6.04)
167:     bond    (  7.223,  -4.901, -15.530)  (  7.224,  -4.900, -15.524)  ( 0.02,  0.01,  0.04)
167:     angle   ( -0.823,   0.087,  -0.410)  ( -0.822,   0.087,  -0.410)  ( 0.06,  0.00,  0.00)
167:     strbnd  ( -5.921,   2.262,   9.306)  ( -5.920,   2.262,   9.306)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.293,   0.686,  -0.353)  ( -0.293,   0.686,  -0.353)  ( 0.00,  0.00,  0.00)
167:     oop     (  1.878,  -3.841,   2.086)  (  1.349,  -2.816,   1.517)  (28.20, 26.69, 27.32)
167:     vdw     ( 10.301,   3.828,   1.517)  ( 10.301,   3.828,   1.517)  ( 0.00,  0.00,  0.00)
167:     electro (-12.313,   1.852,   3.276)  (-12.313,   1.852,   3.276)  ( 0.00,  0.00,  0.00)
167: 11       (  0.001,  -0.001,  -0.007)  ( -0.428,   0.808,  -0.467)  ( 0.06,  0.12,  0.34)
167:     bond    ( -5.364, -10.247, -12.843)  ( -5.364, -10.244, -12.839)  ( 0.01,  0.02,  0.03)
167:     angle   ( 17.615,   2.690,  -9.506)  ( 17.616,   2.690,  -9.506)  ( 0.00,  0.00,  0.00)
167:     strbnd  ( -0.975,   4.889,   8.707)  ( -0.975,   4.889,   8.707)  ( 0.01,  0.00,  0.00)
167:     torsion (  0.208,  -0.464,   0.284)  (  0.208,  -0.464,   0.284)  ( 0.00,  0.00,  0.00)
167:     oop     (  1.725,  -3.462,   2.041)  (  1.294,  -2.654,   1.578)  (24.99, 23.32, 22.72)
167:     vdw     ( 20.549,   2.004,  -4.094)  ( 20.550,   2.004,  -4.094)  ( 0.00,  0.00,  0.00)
167:     electro (-33.756,   4.588,  15.404)  (-33.756,   4.588,  15.404)  ( 0.00,  0.00,  0.00)
167: 12       ( -0.014,  -0.020,  -0.003)  ( -0.011,  -0.018,  -0.003)  ( 0.00,  0.00,  0.00)
167:     bond    ( -2.108,  -1.364,   0.667)  ( -2.104,  -1.362,   0.667)  ( 0.15,  0.09,  0.02)
167:     angle   (  1.431,  -3.486,  -2.605)  (  1.431,  -3.486,  -2.605)  ( 0.00,  0.01,  0.01)
167:     strbnd  ( -0.286,  -0.078,   0.143)  ( -0.286,  -0.077,   0.143)  ( 0.00,  0.00,  0.00)
167:     torsion (  1.600,  -1.233,   2.529)  (  1.600,  -1.233,   2.529)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.031,  -0.022,  -0.112)  ( -0.031,  -0.022,  -0.112)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.620,   6.163,  -0.625)  ( -0.620,   6.163,  -0.625)  ( 0.00,  0.00,  0.00)
167: 13       ( -0.027,   0.011,  -0.004)  ( -0.024,   0.012,  -0.004)  ( 0.01,  0.00,  0.00)
167:     bond    (  0.777,  -0.529,   0.119)  (  0.779,  -0.528,   0.119)  ( 0.18,  0.06,  0.00)
167:     angle   ( -0.885,  -1.096,   0.925)  ( -0.884,  -1.096,   0.926)  ( 0.01,  0.03,  0.04)
167:     strbnd  ( -1.504,   0.684,  -0.090)  ( -1.504,   0.684,  -0.090)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.038,  -0.109,  -0.234)  ( -0.038,  -0.109,  -0.234)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.623,   1.061,  -0.724)  (  1.623,   1.061,  -0.724)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 14       ( -0.007,  -0.027,  -0.010)  ( -0.006,  -0.024,  -0.009)  ( 0.00,  0.01,  0.00)
167:     bond    (  0.115,   1.126,   0.629)  (  0.115,   1.129,   0.630)  ( 0.00,  0.23,  0.05)
167:     angle   ( -0.934,  -0.881,   1.748)  ( -0.934,  -0.881,   1.748)  ( 0.05,  0.01,  0.02)
167:     strbnd  ( -0.363,  -1.245,  -0.504)  ( -0.363,  -1.245,  -0.504)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.233,   0.175,  -0.272)  ( -0.233,   0.175,  -0.272)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.409,   0.798,  -1.611)  (  1.409,   0.798,  -1.611)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 15       ( -0.001,  -0.003,  -0.008)  ( -0.000,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.078,   0.087,  -0.487)  ( -0.077,   0.087,  -0.484)  ( 0.00,  0.00,  0.16)
167:     angle   ( -0.356,  -1.049,  -0.131)  ( -0.355,  -1.048,  -0.131)  ( 0.02,  0.04,  0.00)
167:     strbnd  ( -0.107,  -0.325,   1.008)  ( -0.107,  -0.325,   1.008)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.227,   0.446,   0.116)  ( -0.227,   0.446,   0.116)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.767,   0.838,  -0.514)  (  0.767,   0.839,  -0.514)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 16       ( -0.007,   0.000,   0.002)  ( -0.004,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
167:     bond    (  0.169,  -0.061,   0.004)  (  0.172,  -0.060,   0.004)  ( 0.05,  0.00,  0.00)
167:     angle   (  1.751,   5.151,   2.051)  (  1.751,   5.151,   2.052)  ( 0.00,  0.01,  0.03)
167:     strbnd  ( -0.007,   0.573,  -0.048)  ( -0.007,   0.573,  -0.048)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.110,  -0.369,  -0.744)  ( -0.110,  -0.369,  -0.744)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -1.811,  -5.293,  -1.262)  ( -1.811,  -5.293,  -1.262)  ( 0.00,  0.00,  0.01)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 17       ( -0.003,  -0.013,   0.004)  ( -0.001,  -0.011,   0.005)  ( 0.00,  0.00,  0.00)
167:     bond    (  1.206,   1.529,  -0.696)  (  1.207,   1.530,  -0.695)  ( 0.10,  0.12,  0.03)
167:     angle   ( -0.729,  -0.235,  -1.783)  ( -0.729,  -0.235,  -1.782)  ( 0.02,  0.01,  0.03)
167:     strbnd  ( -0.850,  -0.116,   0.251)  ( -0.850,  -0.116,   0.251)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.296,   0.197,   0.948)  (  0.296,   0.197,   0.948)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.074,  -1.387,   1.283)  (  0.074,  -1.387,   1.284)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 18       ( -0.002,  -0.011,   0.015)  ( -0.001,  -0.009,   0.017)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.434,  -2.155,   1.394)  ( -0.434,  -2.153,   1.395)  ( 0.00,  0.11,  0.07)
167:     angle   (  1.665,  -1.741,  -2.169)  (  1.666,  -1.741,  -2.169)  ( 0.03,  0.01,  0.02)
167:     strbnd  (  0.479,   0.577,  -0.839)  (  0.479,   0.577,  -0.839)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.578,  -0.321,  -0.316)  (  0.578,  -0.321,  -0.316)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -2.290,   3.630,   1.944)  ( -2.290,   3.630,   1.945)  ( 0.00,  0.00,  0.01)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 19       ( -0.048,  -0.003,   0.010)  ( -0.045,  -0.002,   0.010)  ( 0.02,  0.00,  0.00)
167:     bond    (  3.011,  -0.074,  -0.795)  (  3.014,  -0.074,  -0.795)  ( 0.10,  0.00,  0.02)
167:     angle   (  0.861,   0.161,   3.246)  (  0.861,   0.162,   3.247)  ( 0.00,  0.01,  0.02)
167:     strbnd  ( -1.180,  -0.479,   0.265)  ( -1.180,  -0.479,   0.265)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.346,   0.357,  -1.346)  ( -0.346,   0.357,  -1.346)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -2.394,   0.033,  -1.359)  ( -2.394,   0.033,  -1.359)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 20       ( -0.003,  -0.042,   0.032)  ( -0.002,  -0.039,   0.034)  ( 0.00,  0.01,  0.00)
167:     bond    ( -0.042,   1.240,  -0.654)  ( -0.042,   1.243,  -0.653)  ( 0.00,  0.21,  0.05)
167:     angle   ( -0.781,  -1.615,  -3.020)  ( -0.780,  -1.614,  -3.020)  ( 0.04,  0.01,  0.02)
167:     strbnd  ( -0.130,   0.941,   1.010)  ( -0.130,   0.941,   1.010)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.609,   0.345,   0.616)  (  0.609,   0.345,   0.616)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.342,  -0.953,   2.080)  (  0.342,  -0.953,   2.080)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 21       (  0.012,   0.012,  -0.003)  (  0.014,   0.013,  -0.002)  ( 0.00,  0.00,  0.00)
167:     bond    (-16.919,  -7.195,  -8.595)  (-16.917,  -7.195,  -8.594)  ( 0.02,  0.01,  0.01)
167:     angle   ( -8.625,   3.959,  13.661)  ( -8.625,   3.959,  13.662)  ( 0.00,  0.01,  0.00)
167:     strbnd  (  0.614,  -0.231,  -0.297)  (  0.614,  -0.231,  -0.297)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.035,  -0.717,   0.668)  ( -0.035,  -0.717,   0.668)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -6.207,   2.647,   6.206)  ( -6.207,   2.647,   6.206)  ( 0.00,  0.00,  0.00)
167:     electro ( 31.183,   1.549, -11.648)  ( 31.183,   1.549, -11.648)  ( 0.00,  0.01,  0.00)
167: 22       (  0.006,   0.001,  -0.013)  (  0.008,   0.003,  -0.011)  ( 0.00,  0.00,  0.00)
167:     bond    ( -4.934,  -3.520,   6.017)  ( -4.932,  -3.519,   6.019)  ( 0.03,  0.02,  0.04)
167:     angle   ( -3.213,   0.593,  -2.286)  ( -3.213,   0.593,  -2.286)  ( 0.01,  0.03,  0.01)
167:     strbnd  (  1.267,  -0.292,  -1.268)  (  1.267,  -0.292,  -1.268)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.847,   0.124,  -0.622)  ( -0.847,   0.124,  -0.622)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.353,   0.460,   0.417)  ( -0.353,   0.460,   0.417)  ( 0.00,  0.00,  0.00)
167:     electro (  8.086,   2.636,  -2.271)  (  8.086,   2.636,  -2.271)  ( 0.00,  0.00,  0.00)
167: 23       (  0.007,   0.003,  -0.009)  (  0.008,   0.006,  -0.008)  ( 0.00,  0.00,  0.00)
167:     bond    ( -1.822,   3.586,  -1.944)  ( -1.821,   3.589,  -1.943)  ( 0.04,  0.08,  0.04)
167:     angle   (-10.320,  -4.719,   0.955)  (-10.319,  -4.719,   0.956)  ( 0.01,  0.00,  0.04)
167:     strbnd  (  0.722,  -0.493,  -0.668)  (  0.722,  -0.493,  -0.668)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.917,   0.500,   0.064)  (  0.917,   0.500,   0.064)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.240,   1.405,   1.413)  ( -0.240,   1.405,   1.413)  ( 0.00,  0.00,  0.00)
167:     electro ( 10.749,  -0.275,   0.171)  ( 10.749,  -0.275,   0.171)  ( 0.00,  0.00,  0.00)
167: ok 4 # gradients 
167: ok 5 # energy 
167: ----------------------------------------------------------------------------------------
167:                                                                                         
167:   VALIDATE GRADIENTS : fiybiy.xyz
167:                                                                                         
167:                                                                                         
167: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
167: ----------------------------------------------------------------------------------------
167:  1       ( -0.037,   0.000,  -0.051)  ( -0.039,   0.006,  -0.047)  ( 0.01,  0.00,  0.02)
167:     bond    (  7.810,  -1.840,   7.980)  (  7.815,  -1.832,   7.984)  ( 0.05,  0.48,  0.05)
167:     angle   ( -4.687,  -2.600,  -7.659)  ( -4.685,  -2.598,  -7.656)  ( 0.05,  0.09,  0.03)
167:     strbnd  (  1.520,  -7.648,  19.637)  (  1.519,  -7.649,  19.636)  ( 0.05,  0.01,  0.00)
167:     torsion (  0.281,  -0.182,  -0.226)  (  0.281,  -0.182,  -0.226)  ( 0.00,  0.00,  0.00)
167:     oop     (  0.047,   0.028,   0.008)  (  0.040,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
167:     vdw     ( -0.861,  -7.381,   0.991)  ( -0.861,  -7.381,   0.991)  ( 0.00,  0.00,  0.01)
167:     electro ( -4.147,  19.624, -20.782)  ( -4.147,  19.624, -20.782)  ( 0.00,  0.00,  0.00)
167:  2       (  0.015,  -0.021,  -0.013)  (  0.016,  -0.015,  -0.011)  ( 0.00,  0.01,  0.00)
167:     bond    (  0.188,  -1.235,  -0.576)  (  0.188,  -1.229,  -0.574)  ( 0.00,  0.51,  0.08)
167:     angle   (  2.833,  -2.246,   5.734)  (  2.833,  -2.246,   5.734)  ( 0.02,  0.01,  0.01)
167:     strbnd  (  0.058,  -0.206,   0.531)  (  0.058,  -0.206,   0.531)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.582,  -0.145,   0.120)  ( -0.582,  -0.145,   0.120)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -2.490,  -0.763,  -6.600)  ( -2.490,  -0.763,  -6.600)  ( 0.00,  0.00,  0.00)
167:     electro (  0.009,   4.575,   0.778)  (  0.009,   4.575,   0.778)  ( 0.00,  0.00,  0.00)
167:  3       ( -0.083,   0.019,  -0.119)  ( -0.123,   0.094,  -0.069)  ( 0.34,  0.14,  0.60)
167:     bond    ( -1.055,   0.134,  -1.295)  ( -1.051,   0.134,  -1.289)  ( 0.35,  0.00,  0.43)
167:     angle   ( -0.395,  -0.549,   0.265)  ( -0.395,  -0.548,   0.265)  ( 0.02,  0.03,  0.01)
167:     strbnd  ( -4.612,   1.446,  -7.083)  ( -4.612,   1.446,  -7.083)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.187,   0.312,   0.185)  ( -0.187,   0.312,   0.185)  ( 0.00,  0.00,  0.00)
167:     oop     (  0.225,  -0.371,  -0.222)  (  0.180,  -0.296,  -0.178)  ( 1.01,  2.75,  0.99)
167:     vdw     ( -0.123,   0.138,  -0.190)  ( -0.123,   0.138,  -0.190)  ( 0.00,  0.00,  0.00)
167:     electro (  6.064,  -1.092,   8.221)  (  6.064,  -1.092,   8.221)  ( 0.00,  0.00,  0.00)
167:  4       ( -0.072,  -0.017,  -0.030)  ( -0.094,   0.028,  -0.000)  ( 0.16,  0.08,  0.09)
167:     bond    ( -0.836,  -8.517,  13.382)  ( -0.832,  -8.516,  13.384)  ( 0.33,  0.01,  0.02)
167:     angle   (  7.130,   8.296, -11.537)  (  7.131,   8.297, -11.535)  ( 0.00,  0.01,  0.01)
167:     strbnd  ( -2.982,  -0.215,  -2.921)  ( -2.982,  -0.215,  -2.921)  ( 0.00,  0.00,  0.01)
167:     torsion (  0.423,   0.846,  -0.211)  (  0.423,   0.846,  -0.211)  ( 0.00,  0.01,  0.00)
167:     oop     (  0.186,  -0.302,  -0.180)  (  0.159,  -0.259,  -0.154)  ( 0.49,  1.29,  0.46)
167:     vdw     ( -2.535,   5.528,  -3.997)  ( -2.535,   5.528,  -3.997)  ( 0.00,  0.00,  0.00)
167:     electro ( -1.458,  -5.655,   5.433)  ( -1.458,  -5.655,   5.433)  ( 0.00,  0.00,  0.00)
167:  5       (  0.010,   0.036,  -0.046)  ( -0.018,   0.093,  -0.011)  ( 0.03,  0.20,  0.16)
167:     bond    ( -5.684,   0.935,   3.018)  ( -5.681,   0.938,   3.021)  ( 0.04,  0.31,  0.10)
167:     angle   ( 19.037,   0.921,   3.045)  ( 19.039,   0.921,   3.046)  ( 0.01,  0.05,  0.03)
167:     strbnd  ( -4.528,   0.738,   3.763)  ( -4.528,   0.738,   3.763)  ( 0.01,  0.01,  0.00)
167:     torsion (  0.060,   0.659,   0.624)  (  0.060,   0.659,   0.624)  ( 0.00,  0.00,  0.00)
167:     oop     (  0.189,  -0.311,  -0.184)  (  0.157,  -0.258,  -0.153)  ( 0.60,  1.64,  0.57)
167:     vdw     (-16.349, -10.170, -11.577)  (-16.349, -10.170, -11.576)  ( 0.00,  0.00,  0.00)
167:     electro (  7.284,   7.264,   1.264)  (  7.284,   7.264,   1.264)  ( 0.00,  0.00,  0.00)
167:  6       ( -0.067,   0.088,   0.083)  ( -0.052,   0.101,   0.090)  ( 0.10,  0.11,  0.06)
167:     bond    ( -0.701,  -2.222,  11.603)  ( -0.699,  -2.218,  11.607)  ( 0.11,  0.18,  0.03)
167:     angle   ( -0.364,  -2.925,  13.817)  ( -0.363,  -2.923,  13.819)  ( 0.02,  0.05,  0.01)
167:     strbnd  (  0.639,   2.955, -12.934)  (  0.639,   2.955, -12.935)  ( 0.00,  0.00,  0.00)
167:     torsion (  2.329,   1.562,   0.380)  (  2.330,   1.562,   0.380)  ( 0.03,  0.02,  0.00)
167:     oop     ( -0.074,  -0.043,  -0.014)  ( -0.062,  -0.036,  -0.012)  ( 0.09,  0.03,  0.00)
167:     vdw     ( -1.895,   0.720, -12.746)  ( -1.895,   0.720, -12.746)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.002,   0.041,  -0.023)  ( -0.002,   0.041,  -0.023)  ( 0.00,  0.00,  0.00)
167:  7       (  0.013,  -0.054,   0.044)  (  0.021,  -0.046,   0.052)  ( 0.01,  0.04,  0.03)
167:     bond    ( -7.170,  10.526,   6.570)  ( -7.169,  10.530,   6.576)  ( 0.02,  0.04,  0.08)
167:     angle   (  2.588,  -3.055,  -4.852)  (  2.588,  -3.053,  -4.850)  ( 0.02,  0.04,  0.03)
167:     strbnd  ( -1.496,   3.392,  -2.547)  ( -1.496,   3.392,  -2.547)  ( 0.00,  0.00,  0.01)
167:     torsion ( -1.418,  -0.816,  -0.200)  ( -1.417,  -0.816,  -0.200)  ( 0.07,  0.03,  0.00)
167:     oop     ( -0.027,  -0.014,  -0.002)  ( -0.022,  -0.012,  -0.002)  ( 0.01,  0.00,  0.00)
167:     vdw     (  6.692,  -9.975,  -2.511)  (  6.692,  -9.975,  -2.511)  ( 0.00,  0.00,  0.01)
167:     electro (  0.844,  -0.112,   3.586)  (  0.844,  -0.112,   3.586)  ( 0.00,  0.00,  0.00)
167:  8       ( -0.029,   0.068,  -0.054)  ( -0.019,   0.078,  -0.046)  ( 0.03,  0.07,  0.04)
167:     bond    ( -5.733,  10.916,  -5.111)  ( -5.731,  10.920,  -5.106)  ( 0.03,  0.04,  0.10)
167:     angle   ( -0.069,   0.148,  -0.147)  ( -0.069,   0.149,  -0.145)  ( 0.00,  0.02,  0.02)
167:     strbnd  (  0.254,  -0.317,  -0.321)  (  0.254,  -0.317,  -0.321)  ( 0.00,  0.00,  0.01)
167:     torsion ( -0.506,  -0.295,  -0.082)  ( -0.505,  -0.294,  -0.082)  ( 0.05,  0.01,  0.00)
167:     oop     ( -0.039,  -0.023,  -0.006)  ( -0.033,  -0.019,  -0.005)  ( 0.03,  0.01,  0.00)
167:     vdw     (  5.846, -11.080,   5.290)  (  5.846, -11.080,   5.290)  ( 0.00,  0.00,  0.00)
167:     electro (  0.218,   0.720,   0.323)  (  0.218,   0.720,   0.323)  ( 0.00,  0.00,  0.00)
167:  9       ( -0.014,   0.016,  -0.063)  (  0.004,   0.030,  -0.053)  ( 0.02,  0.02,  0.06)
167:     bond    (  0.583,   2.170, -13.287)  (  0.585,   2.174, -13.282)  ( 0.09,  0.18,  0.04)
167:     angle   (  0.007,  -0.113,   0.340)  (  0.007,  -0.112,   0.341)  ( 0.00,  0.01,  0.06)
167:     strbnd  (  0.032,  -0.099,   0.170)  (  0.032,  -0.099,   0.170)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.193,  -0.115,  -0.023)  ( -0.192,  -0.114,  -0.023)  ( 0.02,  0.00,  0.00)
167:     oop     ( -0.086,  -0.051,  -0.013)  ( -0.072,  -0.043,  -0.011)  ( 0.13,  0.04,  0.00)
167:     vdw     ( -0.816,  -2.222,  14.046)  ( -0.816,  -2.222,  14.046)  ( 0.00,  0.00,  0.00)
167:     electro (  0.459,   0.446,  -1.294)  (  0.459,   0.446,  -1.294)  ( 0.00,  0.00,  0.00)
167: 10       (  0.012,  -0.026,   0.043)  (  0.023,  -0.017,   0.051)  ( 0.01,  0.03,  0.03)
167:     bond    (  6.512,  -8.973,  -7.628)  (  6.514,  -8.969,  -7.623)  ( 0.03,  0.05,  0.07)
167:     angle   (  0.058,  -0.079,  -0.055)  (  0.058,  -0.078,  -0.054)  ( 0.00,  0.01,  0.01)
167:     strbnd  ( -0.185,   0.392,  -0.179)  ( -0.185,   0.392,  -0.179)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.572,  -0.345,  -0.095)  ( -0.571,  -0.345,  -0.095)  ( 0.05,  0.01,  0.00)
167:     oop     ( -0.040,  -0.024,  -0.007)  ( -0.032,  -0.020,  -0.005)  ( 0.03,  0.01,  0.00)
167:     vdw     ( -6.571,   9.136,   7.766)  ( -6.571,   9.136,   7.766)  ( 0.00,  0.00,  0.00)
167:     electro (  0.809,  -0.133,   0.241)  (  0.809,  -0.133,   0.241)  ( 0.00,  0.00,  0.00)
167: 11       (  0.067,  -0.113,  -0.076)  (  0.083,  -0.099,  -0.068)  ( 0.11,  0.16,  0.06)
167:     bond    (  6.849, -12.437,   4.398)  (  6.851, -12.433,   4.404)  ( 0.02,  0.03,  0.12)
167:     angle   ( -2.678,   5.816,  -4.951)  ( -2.677,   5.818,  -4.949)  ( 0.02,  0.02,  0.03)
167:     strbnd  (  2.697,  -3.157,  -4.284)  (  2.697,  -3.158,  -4.284)  ( 0.00,  0.00,  0.00)
167:     torsion ( -1.703,  -1.064,  -0.247)  ( -1.702,  -1.063,  -0.247)  ( 0.06,  0.03,  0.00)
167:     oop     ( -0.078,  -0.050,  -0.010)  ( -0.065,  -0.042,  -0.009)  ( 0.10,  0.04,  0.00)
167:     vdw     ( -5.728,  10.270,   1.476)  ( -5.728,  10.270,   1.476)  ( 0.00,  0.00,  0.01)
167:     electro (  0.708,   0.510,   3.541)  (  0.708,   0.510,   3.542)  ( 0.00,  0.00,  0.00)
167: 12       (  0.104,  -0.040,   0.163)  (  0.215,  -0.206,   0.071)  ( 1.16,  0.66,  1.49)
167:     bond    ( 13.123,   9.974,  -3.258)  ( 13.130,   9.977,  -3.250)  ( 0.05,  0.02,  0.25)
167:     angle   (-14.649,   0.422,   3.858)  (-14.647,   0.423,   3.860)  ( 0.02,  0.06,  0.05)
167:     strbnd  (  6.144,   3.136,   1.986)  (  6.144,   3.135,   1.985)  ( 0.01,  0.02,  0.05)
167:     torsion (  0.114,  -1.966,  -1.386)  (  0.114,  -1.966,  -1.386)  ( 0.00,  0.01,  0.00)
167:     oop     ( -0.600,   0.982,   0.585)  ( -0.496,   0.813,   0.485)  ( 6.21, 16.58,  5.91)
167:     vdw     ( -6.672,   1.688,  -4.514)  ( -6.672,   1.688,  -4.514)  ( 0.00,  0.00,  0.00)
167:     electro (  2.643, -14.275,   2.893)  (  2.643, -14.275,   2.893)  ( 0.00,  0.00,  0.00)
167: 13       (  0.040,  -0.004,   0.029)  (  0.046,   0.002,   0.035)  ( 0.02,  0.00,  0.02)
167:     bond    ( -2.991,   1.047, -11.722)  ( -2.987,   1.051, -11.718)  ( 0.13,  0.39,  0.04)
167:     angle   ( -2.018,   2.285,   8.597)  ( -2.016,   2.287,   8.599)  ( 0.11,  0.09,  0.02)
167:     strbnd  (  2.619,  -2.990,   4.758)  (  2.618,  -2.991,   4.758)  ( 0.04,  0.03,  0.02)
167:     torsion ( -0.041,  -0.092,   0.175)  ( -0.041,  -0.092,   0.175)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( 14.014,   8.530,   0.129)  ( 14.014,   8.530,   0.129)  ( 0.00,  0.00,  0.00)
167:     electro (-11.542,  -8.783,  -1.908)  (-11.542,  -8.783,  -1.908)  ( 0.00,  0.00,  0.00)
167: 14       (  0.024,  -0.010,   0.034)  (  0.029,  -0.005,   0.040)  ( 0.01,  0.00,  0.02)
167:     bond    ( -4.655,   3.822,  -2.177)  ( -4.651,   3.826,  -2.172)  ( 0.08,  0.10,  0.21)
167:     angle   ( -4.059,  -1.702,  -4.245)  ( -4.057,  -1.700,  -4.243)  ( 0.05,  0.12,  0.05)
167:     strbnd  (  2.089,   1.563,   0.776)  (  2.088,   1.562,   0.776)  ( 0.05,  0.07,  0.03)
167:     torsion (  0.938,   1.048,   1.864)  (  0.938,   1.048,   1.864)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  3.794,  -3.935,   2.717)  (  3.794,  -3.935,   2.717)  ( 0.00,  0.00,  0.00)
167:     electro (  1.918,  -0.806,   1.098)  (  1.918,  -0.806,   1.098)  ( 0.00,  0.00,  0.00)
167: 15       ( -0.042,  -0.017,   0.014)  ( -0.037,  -0.011,   0.020)  ( 0.02,  0.01,  0.01)
167:     bond    ( -6.167,  -3.752,   0.389)  ( -6.163,  -3.748,   0.393)  ( 0.07,  0.11,  0.18)
167:     angle   (  3.378,   1.344,  -4.652)  (  3.380,   1.345,  -4.650)  ( 0.06,  0.14,  0.04)
167:     strbnd  (  0.915,   0.369,  -0.380)  (  0.914,   0.369,  -0.380)  ( 0.08,  0.02,  0.02)
167:     torsion (  1.467,  -0.659,   4.905)  (  1.467,  -0.659,   4.905)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.366,   2.682,  -0.248)  (  0.366,   2.682,  -0.248)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 16       (  0.001,  -0.001,  -0.009)  ( -0.007,  -0.004,  -0.008)  ( 0.00,  0.00,  0.00)
167:     bond    ( -1.392,   1.999,   1.715)  ( -1.392,   2.000,   1.716)  ( 0.06,  0.08,  0.07)
167:     angle   ( -0.390,   1.079,  -1.575)  ( -0.390,   1.079,  -1.575)  ( 0.00,  0.02,  0.03)
167:     strbnd  (  0.199,  -0.272,  -0.384)  (  0.199,  -0.272,  -0.384)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.947,   0.545,   0.133)  (  0.948,   0.545,   0.133)  ( 0.02,  0.00,  0.00)
167:     oop     (  0.050,   0.029,   0.007)  (  0.041,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
167:     vdw     (  1.566,  -2.362,   2.661)  (  1.566,  -2.362,   2.662)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.979,  -1.018,  -2.566)  ( -0.979,  -1.018,  -2.566)  ( 0.00,  0.00,  0.00)
167: 17       (  0.013,  -0.037,   0.011)  (  0.006,  -0.039,   0.010)  ( 0.01,  0.01,  0.00)
167:     bond    ( -1.079,   2.138,  -1.059)  ( -1.078,   2.140,  -1.059)  ( 0.06,  0.12,  0.06)
167:     angle   (  0.033,  -0.019,  -0.072)  (  0.033,  -0.019,  -0.072)  ( 0.00,  0.00,  0.00)
167:     strbnd  (  0.329,  -0.679,   0.351)  (  0.329,  -0.679,   0.351)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.254,   0.148,   0.041)  (  0.254,   0.148,   0.041)  ( 0.01,  0.00,  0.00)
167:     oop     (  0.051,   0.029,   0.008)  (  0.042,   0.025,   0.007)  ( 0.04,  0.01,  0.00)
167:     vdw     (  0.321,  -0.617,   0.307)  (  0.321,  -0.617,   0.307)  ( 0.00,  0.00,  0.00)
167:     electro (  0.104,  -1.037,   0.435)  (  0.104,  -1.037,   0.435)  ( 0.00,  0.00,  0.00)
167: 18       ( -0.002,  -0.001,   0.010)  ( -0.012,  -0.006,   0.011)  ( 0.00,  0.00,  0.00)
167:     bond    (  0.172,   0.436,  -2.694)  (  0.172,   0.436,  -2.691)  ( 0.00,  0.00,  0.13)
167:     angle   (  0.012,   0.006,   0.002)  (  0.012,   0.006,   0.002)  ( 0.00,  0.00,  0.00)
167:     strbnd  ( -0.076,  -0.152,   0.941)  ( -0.076,  -0.152,   0.941)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.138,   0.082,   0.022)  (  0.138,   0.082,   0.022)  ( 0.00,  0.00,  0.00)
167:     oop     (  0.066,   0.040,   0.011)  (  0.055,   0.033,   0.009)  ( 0.07,  0.03,  0.00)
167:     vdw     ( -0.039,  -0.117,   0.755)  ( -0.039,  -0.117,   0.755)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.275,  -0.295,   0.974)  ( -0.275,  -0.295,   0.974)  ( 0.00,  0.00,  0.00)
167: 19       ( -0.010,   0.002,   0.007)  ( -0.018,  -0.002,   0.007)  ( 0.01,  0.00,  0.00)
167:     bond    (  1.319,  -1.740,  -1.572)  (  1.320,  -1.739,  -1.570)  ( 0.07,  0.09,  0.08)
167:     angle   ( -0.010,   0.055,  -0.071)  ( -0.010,   0.056,  -0.070)  ( 0.00,  0.00,  0.00)
167:     strbnd  ( -0.440,   0.556,   0.528)  ( -0.440,   0.556,   0.528)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.286,   0.174,   0.048)  (  0.286,   0.174,   0.048)  ( 0.01,  0.00,  0.00)
167:     oop     (  0.057,   0.035,   0.009)  (  0.048,   0.029,   0.008)  ( 0.05,  0.02,  0.00)
167:     vdw     ( -0.364,   0.499,   0.452)  ( -0.364,   0.499,   0.452)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.858,   0.422,   0.612)  ( -0.858,   0.422,   0.612)  ( 0.00,  0.00,  0.00)
167: 20       ( -0.011,   0.019,  -0.003)  ( -0.022,   0.014,  -0.004)  ( 0.01,  0.01,  0.00)
167:     bond    (  1.065,  -1.923,   0.931)  (  1.066,  -1.921,   0.932)  ( 0.07,  0.13,  0.05)
167:     angle   (  0.816,  -0.719,  -2.417)  (  0.816,  -0.719,  -2.416)  ( 0.01,  0.00,  0.02)
167:     strbnd  ( -0.179,   0.321,  -0.263)  ( -0.179,   0.321,  -0.263)  ( 0.00,  0.00,  0.00)
167:     torsion (  1.157,   0.723,   0.167)  (  1.157,   0.723,   0.167)  ( 0.02,  0.01,  0.00)
167:     oop     (  0.072,   0.045,   0.011)  (  0.060,   0.037,   0.009)  ( 0.09,  0.03,  0.00)
167:     vdw     ( -1.141,   1.967,   4.393)  ( -1.141,   1.967,   4.393)  ( 0.00,  0.00,  0.00)
167:     electro ( -1.800,  -0.394,  -2.826)  ( -1.800,  -0.394,  -2.826)  ( 0.00,  0.00,  0.00)
167: 21       ( -0.002,  -0.005,  -0.023)  ( -0.001,  -0.004,  -0.021)  ( 0.00,  0.00,  0.01)
167:     bond    (  1.444,  -1.170,  -2.502)  (  1.445,  -1.169,  -2.500)  ( 0.05,  0.04,  0.09)
167:     angle   ( -2.245,  -3.938,   0.544)  ( -2.244,  -3.937,   0.544)  ( 0.02,  0.01,  0.01)
167:     strbnd  ( -0.862,   0.401,  -0.476)  ( -0.862,   0.401,  -0.476)  ( 0.00,  0.00,  0.00)
167:     torsion ( -1.116,  -0.117,  -0.590)  ( -1.116,  -0.117,  -0.590)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  2.776,   4.819,   3.001)  (  2.776,   4.819,   3.001)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 22       ( -0.015,   0.012,  -0.030)  ( -0.014,   0.013,  -0.028)  ( 0.00,  0.00,  0.01)
167:     bond    (  0.154,  -0.044,   0.213)  (  0.155,  -0.044,   0.215)  ( 0.02,  0.00,  0.05)
167:     angle   ( -3.150,   0.346,   2.340)  ( -3.150,   0.346,   2.340)  ( 0.01,  0.02,  0.01)
167:     strbnd  ( -1.019,   0.402,  -1.027)  ( -1.019,   0.402,  -1.027)  ( 0.00,  0.00,  0.00)
167:     torsion (  1.025,  -0.593,  -0.859)  (  1.025,  -0.593,  -0.859)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  2.975,  -0.099,  -0.696)  (  2.975,  -0.099,  -0.696)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 23       ( -0.002,  -0.007,  -0.010)  ( -0.000,  -0.006,  -0.007)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.844,   0.674,   1.498)  ( -0.843,   0.674,   1.500)  ( 0.06,  0.03,  0.15)
167:     angle   (  0.780,   0.980,  -0.002)  (  0.780,   0.980,  -0.002)  ( 0.03,  0.05,  0.00)
167:     strbnd  ( -0.246,   0.126,  -0.182)  ( -0.246,   0.126,  -0.182)  ( 0.00,  0.00,  0.00)
167:     torsion ( -1.955,  -0.263,  -0.980)  ( -1.955,  -0.263,  -0.980)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  2.263,  -1.523,  -0.342)  (  2.263,  -1.523,  -0.342)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 24       (  0.008,  -0.004,  -0.001)  (  0.009,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
167:     bond    (  0.400,  -1.579,   0.234)  (  0.400,  -1.576,   0.235)  ( 0.01,  0.20,  0.00)
167:     angle   ( -0.974,   0.080,   2.199)  ( -0.974,   0.080,   2.199)  ( 0.05,  0.00,  0.02)
167:     strbnd  ( -0.565,   0.621,  -0.074)  ( -0.565,   0.621,  -0.074)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.236,  -0.429,  -2.483)  ( -0.236,  -0.429,  -2.483)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.383,   1.303,   0.122)  (  1.383,   1.303,   0.122)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 25       ( -0.003,   0.003,   0.000)  ( -0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.527,   0.046,  -0.630)  ( -0.526,   0.046,  -0.628)  ( 0.07,  0.00,  0.13)
167:     angle   ( -0.726,  -0.901,   0.541)  ( -0.725,  -0.901,   0.541)  ( 0.02,  0.04,  0.01)
167:     strbnd  ( -0.277,  -0.238,   0.153)  ( -0.277,  -0.238,   0.153)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.187,  -0.339,  -0.181)  (  0.187,  -0.338,  -0.181)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.340,   1.434,   0.118)  (  1.340,   1.434,   0.118)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 26       (  0.006,  -0.002,  -0.020)  (  0.007,  -0.001,  -0.018)  ( 0.00,  0.00,  0.01)
167:     bond    ( -0.838,   0.546,   1.494)  ( -0.837,   0.547,   1.496)  ( 0.06,  0.02,  0.16)
167:     angle   ( -0.275,  -2.955,   0.926)  ( -0.274,  -2.954,   0.926)  ( 0.01,  0.02,  0.01)
167:     strbnd  ( -0.022,  -0.439,  -0.536)  ( -0.022,  -0.439,  -0.536)  ( 0.00,  0.00,  0.00)
167:     torsion ( -1.106,   1.318,  -1.100)  ( -1.106,   1.318,  -1.100)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  2.246,   1.528,  -0.804)  (  2.246,   1.528,  -0.804)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: ok 6 # gradients 
167: ok 7 # energy 
167: ----------------------------------------------------------------------------------------
167:                                                                                         
167:   VALIDATE GRADIENTS : fizgok.xyz
167:                                                                                         
167:                                                                                         
167: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
167: ----------------------------------------------------------------------------------------
167:  1       (  0.075,   0.147,  -0.085)  (  0.082,   0.159,  -0.080)  ( 0.05,  0.19,  0.04)
167:     bond    ( -7.838,  -3.903,  -3.643)  ( -7.834,  -3.894,  -3.639)  ( 0.06,  0.21,  0.11)
167:     angle   (  7.377, -14.044,  12.273)  (  7.380, -14.042,  12.275)  ( 0.04,  0.02,  0.02)
167:     strbnd  (  0.657,   1.642,  -0.343)  (  0.656,   1.641,  -0.344)  ( 0.08,  0.06,  0.04)
167:     torsion ( -0.045,   0.673,  -0.372)  ( -0.045,   0.673,  -0.371)  ( 0.00,  0.01,  0.00)
167:     oop     ( -0.007,  -0.027,   0.009)  ( -0.007,  -0.024,   0.008)  ( 0.00,  0.01,  0.00)
167:     vdw     ( -0.525,  -6.965,   3.135)  ( -0.525,  -6.965,   3.135)  ( 0.00,  0.00,  0.00)
167:     electro (  0.455,  22.771, -11.143)  (  0.455,  22.771, -11.143)  ( 0.00,  0.00,  0.00)
167:  2       (  1.636,  -0.294,   0.523)  (  1.645,  -0.288,   0.526)  ( 0.60,  0.19,  0.15)
167:     bond    (-11.204,   8.407,  18.715)  (-11.196,   8.408,  18.718)  ( 0.07,  0.01,  0.02)
167:     angle   (  0.078,   5.582,   5.314)  (  0.080,   5.582,   5.316)  ( 0.01,  0.01,  0.04)
167:     strbnd  ( 14.683, -10.263, -21.918)  ( 14.682, -10.263, -21.919)  ( 0.01,  0.00,  0.00)
167:     torsion (  0.150,   0.067,  -0.035)  (  0.150,   0.067,  -0.035)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.011,  -0.041,   0.013)  ( -0.010,  -0.036,   0.012)  ( 0.00,  0.02,  0.00)
167:     vdw     ( -1.009,  -4.181,  -1.167)  ( -1.009,  -4.181,  -1.167)  ( 0.00,  0.00,  0.00)
167:     electro ( -1.053,   0.135,  -0.399)  ( -1.053,   0.135,  -0.399)  ( 0.00,  0.00,  0.00)
167:  3       ( -1.196,  -0.099,  -1.352)  ( -1.194,  -0.124,  -1.338)  ( 0.11,  0.25,  1.02)
167:     bond    ( -4.431,   5.571,  14.123)  ( -4.424,   5.572,  14.127)  ( 0.17,  0.01,  0.03)
167:     angle   (  2.807,  -2.317,  -5.897)  (  2.808,  -2.317,  -5.895)  ( 0.05,  0.01,  0.04)
167:     strbnd  ( -0.396,  -3.222, -10.930)  ( -0.396,  -3.222, -10.931)  ( 0.03,  0.00,  0.01)
167:     torsion (  0.009,   0.024,  -0.016)  (  0.009,   0.024,  -0.016)  ( 0.00,  0.00,  0.00)
167:     oop     (  0.040,   0.151,  -0.046)  (  0.033,   0.124,  -0.038)  ( 0.03,  0.41,  0.04)
167:     vdw     ( -1.180,  -0.564,  -1.315)  ( -1.180,  -0.564,  -1.315)  ( 0.00,  0.00,  0.00)
167:     electro (  1.956,   0.259,   2.729)  (  1.956,   0.259,   2.729)  ( 0.00,  0.00,  0.00)
167:  4       ( -0.453,   0.371,   0.817)  ( -0.453,   0.347,   0.833)  ( 0.03,  0.90,  1.31)
167:     bond    ( 11.836,  -5.927,  -8.661)  ( 11.841,  -5.926,  -8.655)  ( 0.04,  0.01,  0.08)
167:     angle   ( -4.489,   2.870,   4.414)  ( -4.487,   2.870,   4.415)  ( 0.05,  0.01,  0.03)
167:     strbnd  ( -9.187,   3.979,   4.504)  ( -9.187,   3.979,   4.504)  ( 0.01,  0.00,  0.01)
167:     torsion ( -0.003,   0.015,   0.000)  ( -0.003,   0.016,   0.000)  ( 0.00,  0.00,  0.00)
167:     oop     (  0.040,   0.146,  -0.047)  (  0.033,   0.121,  -0.038)  ( 0.03,  0.38,  0.04)
167:     vdw     ( -1.795,  -0.128,  -0.448)  ( -1.795,  -0.128,  -0.448)  ( 0.00,  0.00,  0.00)
167:     electro (  3.145,  -0.584,   1.055)  (  3.145,  -0.584,   1.055)  ( 0.00,  0.00,  0.00)
167:  5       ( -0.041,   0.004,   0.038)  ( -0.035,   0.010,   0.045)  ( 0.02,  0.00,  0.03)
167:     bond    ( 13.675,  -9.287, -16.484)  ( 13.679,  -9.286, -16.477)  ( 0.03,  0.01,  0.04)
167:     angle   (  6.589,   0.956,  -3.854)  (  6.590,   0.957,  -3.852)  ( 0.03,  0.06,  0.04)
167:     strbnd  (-16.570,  11.056,  19.409)  (-16.571,  11.055,  19.409)  ( 0.01,  0.00,  0.00)
167:     torsion (  0.066,   0.138,   0.084)  (  0.066,   0.138,   0.084)  ( 0.00,  0.01,  0.00)
167:     oop     ( -0.010,  -0.039,   0.012)  ( -0.009,  -0.035,   0.011)  ( 0.00,  0.02,  0.00)
167:     vdw     ( -3.074,  -2.716,   1.743)  ( -3.074,  -2.716,   1.743)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.716,  -0.103,  -0.873)  ( -0.716,  -0.103,  -0.873)  ( 0.00,  0.00,  0.00)
167:  6       (  0.013,  -0.004,  -0.008)  (  0.016,   0.001,  -0.008)  ( 0.00,  0.00,  0.00)
167:     bond    ( 11.948,  -5.575,  -8.525)  ( 11.950,  -5.574,  -8.524)  ( 0.01,  0.01,  0.01)
167:     angle   ( -0.801,  -0.056,  -1.086)  ( -0.801,  -0.057,  -1.085)  ( 0.01,  0.00,  0.03)
167:     strbnd  (-17.035,   8.265,  13.244)  (-17.035,   8.265,  13.244)  ( 0.00,  0.00,  0.00)
168: # Testing MMFF94 Force Field...
168: ok 1 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : 
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       ( -2.053,   0.415,  -0.337)  ( -2.105,   0.368,  -0.075)  ( 2.53,  1.96,  8.81)
168:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
168:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
168:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
168:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
168:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
168:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
168:     electro (  0.486,   0.087,   0.038)  (  0.486,   0.087,   0.038)  ( 0.00,  0.00,  0.00)
168:  2       (  0.088,   0.178,   0.659)  (  0.225,   0.295,   0.137)  ( 1.20,  2.08, 34.38)
168:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
168:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
168:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
168:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
168:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
168:     electro (  0.052,  -0.254,  -0.057)  (  0.052,  -0.254,  -0.057)  ( 0.00,  0.00,  0.00)
168:  3       (  0.944,   1.074,   0.464)  (  0.859,   1.006,   0.824)  ( 8.03,  6.34, 16.68)
168:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
168:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
168:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
168:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
168:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
168:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.569,   0.038,  -0.166)  ( -0.569,   0.038,  -0.166)  ( 0.00,  0.00,  0.00)
168:  4       (  0.427,  -1.622,  -0.238)  (  0.436,  -1.613,  -0.247)  ( 0.36,  0.57,  0.21)
168:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
168:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
168:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
168:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
168:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
168:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
168:     electro (  0.349,   0.071,  -0.029)  (  0.349,   0.071,  -0.029)  ( 0.00,  0.00,  0.00)
168:  5       ( -6.203,   2.397,   1.174)  ( -6.193,   2.403,   1.165)  ( 0.15,  0.28,  0.83)
168:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
168:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
168:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
168:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
168:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.343,   0.567,  -0.136)  ( -0.343,   0.567,  -0.136)  ( 0.00,  0.00,  0.00)
168:  6       (  1.625,  -1.131,  -0.206)  (  1.645,  -1.109,  -0.266)  ( 1.28,  1.91,  1.23)
168:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
168:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
168:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
168:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
168:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
168:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.144,   0.140,   0.062)  ( -0.144,   0.140,   0.062)  ( 0.00,  0.00,  0.00)
168:  7       ( -1.018,  -0.292,  -0.300)  ( -1.008,  -0.282,  -0.315)  ( 0.96,  0.31,  0.44)
168:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
168:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
168:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
168:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
168:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
168:     electro (  0.448,  -0.945,  -0.018)  (  0.448,  -0.945,  -0.018)  ( 0.00,  0.00,  0.00)
168:  8       ( -1.004,   2.236,   0.069)  ( -1.034,   2.210,   0.203)  ( 3.05,  1.13,  0.92)
168:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
168:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
168:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
168:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
168:     electro (  0.013,  -0.285,   0.000)  (  0.013,  -0.285,   0.000)  ( 0.00,  0.00,  0.00)
168:  9       (  0.351,  -0.939,   0.203)  (  0.357,  -0.933,   0.209)  ( 0.20,  0.53,  0.11)
168:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
168:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
168:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
168:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
168:     electro (  0.040,  -0.039,  -0.079)  (  0.040,  -0.039,  -0.079)  ( 0.00,  0.00,  0.00)
168: 10       (  0.625,  -1.053,  -0.035)  (  0.652,  -1.028,  -0.117)  ( 1.68,  2.30,  0.29)
168:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
168:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
168:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
168:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
168:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.080,  -0.003,  -0.041)  ( -0.080,  -0.003,  -0.041)  ( 0.00,  0.00,  0.00)
168: 11       ( -0.026,  -0.445,  -0.490)  ( -0.012,  -0.431,  -0.525)  ( 0.04,  0.66,  1.67)
168:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
168:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
168:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
168:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
168:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
168:     electro (  0.189,   0.026,   0.145)  (  0.189,   0.026,   0.145)  ( 0.00,  0.00,  0.00)
168: 12       (  0.717,  -9.657,   1.652)  (  0.730,  -9.654,   1.624)  ( 0.90,  0.03,  1.69)
168:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
168:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
168:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
168:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
168:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
168:     electro (  0.012,  -0.260,   0.065)  (  0.012,  -0.260,   0.065)  ( 0.00,  0.00,  0.00)
168: 13       (  2.460,  -6.087,   1.095)  (  2.467,  -6.080,   1.098)  ( 0.27,  0.12,  0.31)
168:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
168:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
168:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
168:     electro (  0.099,   0.153,  -0.002)  (  0.099,   0.153,  -0.002)  ( 0.00,  0.00,  0.00)
168: 14       ( -0.730,  -2.358,   0.160)  ( -0.723,  -2.352,   0.165)  ( 0.49,  0.28,  0.07)
168:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
168:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
168:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
168:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.202,   0.073,  -0.025)  ( -0.202,   0.073,  -0.025)  ( 0.00,  0.00,  0.00)
168: 15       (  2.261,  -0.162,   0.226)  (  2.268,  -0.156,   0.225)  ( 0.30,  0.10,  0.02)
168:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
168:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
168:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
168:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
168:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
168:     electro (  0.256,  -0.023,   0.038)  (  0.256,  -0.023,   0.038)  ( 0.00,  0.00,  0.00)
168: 16       ( 12.486,   1.008,   1.043)  ( 12.490,   1.019,   1.066)  ( 0.04,  1.05,  2.16)
168:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
168:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
168:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
168:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
168:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.038,   0.307,  -0.033)  ( -0.038,   0.307,  -0.033)  ( 0.00,  0.00,  0.00)
168: 17       (-13.149,  41.872,  -7.596)  (-13.137,  41.873,  -7.641)  ( 0.08,  0.00,  0.59)
168:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
168:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
168:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
168:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
168:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.100,  -0.286,  -0.023)  ( -0.100,  -0.286,  -0.023)  ( 0.00,  0.00,  0.00)
168: 18       ( 44.495,  -1.551,   2.301)  ( 44.490,  -1.525,   2.423)  ( 0.01,  1.69,  5.31)
168:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
168:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
168:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
168:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
168:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.078,   0.101,  -0.023)  ( -0.078,   0.101,  -0.023)  ( 0.00,  0.00,  0.00)
168: 19       ( 69.047,  18.195,  -0.422)  ( 69.073,  18.159,  -0.719)  ( 0.04,  0.20, 12.52)
168:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
168:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
168:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
168:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
168:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
168:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.186,  -0.044,   0.051)  ( -0.186,  -0.044,   0.051)  ( 0.00,  0.00,  0.00)
168: 20       (-66.666,   1.027,  -3.814)  (-66.673,   1.059,  -3.645)  ( 0.01,  3.11,  4.42)
168:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
168:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
168:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
168:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
168:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
168:     electro (  0.371,  -0.228,   0.325)  (  0.371,  -0.228,   0.325)  ( 0.00,  0.00,  0.00)
168: 21       (-41.992, -33.111,   1.581)  (-41.994, -33.087,   1.701)  ( 0.00,  0.07,  7.60)
168:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
168:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
168:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
168:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
168:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
168:     electro ( -1.339,  -0.127,   0.128)  ( -1.339,  -0.127,   0.128)  ( 0.00,  0.00,  0.00)
168: 22       (-10.516,   3.652,  -0.202)  (-10.513,   3.656,  -0.202)  ( 0.02,  0.11,  0.01)
168:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
168:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
168:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
168:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
168:     electro (  2.494,  -0.076,  -0.023)  (  2.494,  -0.076,  -0.023)  ( 0.00,  0.00,  0.00)
168: 23       (  1.691,   0.137,   0.101)  (  1.691,   0.137,   0.111)  ( 0.01,  0.00,  0.10)
168:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
168:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
168:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
168:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.200,  -0.165,  -0.054)  ( -0.200,  -0.165,  -0.054)  ( 0.00,  0.00,  0.00)
168: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
168:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
168:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
168:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
168:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
168:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
168:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
168:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
168:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
168:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
168:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
168:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
168:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
168:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
168:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
168:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
168:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
168:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
168:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
168:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
168:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
168:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
168:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
168:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
168:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
168:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
168:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
168:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
168:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
168:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
168:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
168:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
168:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 35       (  1.245,  -1.321,   0.243)  (  1.246,  -1.318,   0.245)  ( 0.14,  0.22,  0.04)
168:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
168:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
168:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
168:     electro (  0.168,   0.031,   0.005)  (  0.168,   0.031,   0.005)  ( 0.00,  0.00,  0.00)
168: 36       ( -2.391,   0.421,  -0.415)  ( -2.388,   0.421,  -0.415)  ( 0.15,  0.03,  0.01)
168:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
168:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
168:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
168:     electro (  0.194,  -0.038,   0.022)  (  0.194,  -0.038,   0.022)  ( 0.00,  0.00,  0.00)
168: 37       ( -1.434,   2.065,  -0.475)  ( -1.433,   2.068,  -0.473)  ( 0.07,  0.16,  0.09)
168:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
168:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
168:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.004,  -0.149,   0.017)  ( -0.004,  -0.149,   0.017)  ( 0.00,  0.00,  0.00)
168: 38       (  1.261,  -0.145,   0.322)  (  1.263,  -0.142,   0.326)  ( 0.13,  0.04,  0.10)
168:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
168:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
168:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.324,   0.454,  -0.114)  ( -0.324,   0.454,  -0.114)  ( 0.00,  0.00,  0.00)
168: 39       (  8.893, -15.193,   1.966)  (  8.900, -15.196,   1.907)  ( 0.09,  0.02,  2.99)
168:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
168:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
168:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
168:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.565,   0.871,  -0.073)  ( -1.565,   0.871,  -0.073)  ( 0.00,  0.00,  0.00)
168: ok 2 # gradients 
168: ok 3 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       (  1.985,   1.075,   0.562)  (  1.994,   1.082,   0.564)  ( 0.43,  0.62,  0.10)
168:     bond    (  5.237,   0.172,   1.390)  (  5.245,   0.178,   1.391)  ( 0.15,  0.09,  0.04)
168:     angle   ( -3.469,   1.277,  -0.875)  ( -3.468,   1.279,  -0.875)  ( 0.03,  0.14,  0.01)
168:     strbnd  (  1.478,   0.534,   0.407)  (  1.477,   0.533,   0.407)  ( 0.04,  0.03,  0.00)
168:     torsion ( -0.001,  -0.000,   0.002)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.604,  -0.435,  -0.173)  ( -0.604,  -0.435,  -0.173)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.656,  -0.472,  -0.188)  ( -0.656,  -0.472,  -0.188)  ( 0.00,  0.00,  0.00)
168:  2       ( -0.035,   0.614,  -0.000)  ( -0.026,   0.621,   0.002)  ( 0.03,  0.42,  0.00)
168:     bond    ( -4.097,   4.193,  -0.946)  ( -4.089,   4.199,  -0.946)  ( 0.20,  0.13,  0.06)
168:     angle   (  6.070,  -3.235,   1.494)  (  6.071,  -3.233,   1.494)  ( 0.02,  0.06,  0.02)
168:     strbnd  ( -2.009,  -0.344,  -0.542)  ( -2.010,  -0.344,  -0.542)  ( 0.03,  0.02,  0.00)
168:     torsion (  0.001,   0.000,  -0.005)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  3       (  0.889,   0.122,   0.242)  (  0.890,   0.124,   0.242)  ( 0.13,  0.03,  0.01)
168:     bond    (  1.119,   1.704,   0.350)  (  1.120,   1.706,   0.350)  ( 0.10,  0.15,  0.00)
168:     angle   (  1.146,  -0.809,   0.277)  (  1.146,  -0.809,   0.277)  ( 0.03,  0.02,  0.00)
168:     strbnd  ( -0.382,  -0.759,  -0.125)  ( -0.382,  -0.759,  -0.125)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.001,  -0.000,   0.003)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.717,  -0.020,  -0.190)  ( -0.717,  -0.020,  -0.190)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.275,   0.006,  -0.072)  ( -0.275,   0.006,  -0.072)  ( 0.00,  0.00,  0.00)
168:  4       (  0.533,  -0.554,   0.119)  (  0.534,  -0.551,   0.119)  ( 0.07,  0.16,  0.00)
168:     bond    (  1.259,  -2.407,   0.256)  (  1.260,  -2.404,   0.256)  ( 0.06,  0.12,  0.00)
168:     angle   (  2.423,   1.342,   0.683)  (  2.423,   1.343,   0.683)  ( 0.02,  0.01,  0.00)
168:     strbnd  ( -0.083,   0.405,  -0.009)  ( -0.083,   0.405,  -0.009)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.868,  -0.122,  -0.761)  ( -2.868,  -0.122,  -0.761)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.198,   0.228,  -0.045)  ( -0.198,   0.228,  -0.045)  ( 0.00,  0.00,  0.00)
168:  5       ( -1.377,  -1.164,  -0.402)  ( -1.376,  -1.161,  -0.402)  ( 0.09,  0.26,  0.01)
168:     bond    ( -0.396,   0.799,  -0.079)  ( -0.395,   0.802,  -0.079)  ( 0.03,  0.24,  0.00)
168:     angle   ( -2.535,  -1.318,  -0.711)  ( -2.535,  -1.318,  -0.711)  ( 0.02,  0.01,  0.00)
168:     strbnd  (  0.514,  -0.809,   0.110)  (  0.514,  -0.809,   0.110)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.000,   0.000,  -0.002)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.567,  -0.187,   0.144)  (  0.567,  -0.187,   0.144)  ( 0.00,  0.00,  0.00)
168:     electro (  0.472,   0.351,   0.136)  (  0.472,   0.351,   0.136)  ( 0.00,  0.00,  0.00)
168:  6       ( -2.292,  -0.999,  -0.620)  ( -2.286,  -0.988,  -0.619)  ( 0.27,  1.07,  0.09)
168:     bond    ( -3.396,  -4.839,  -1.050)  ( -3.390,  -4.829,  -1.049)  ( 0.15,  0.21,  0.05)
168:     angle   ( -3.250,   2.439,  -0.769)  ( -3.249,   2.440,  -0.768)  ( 0.03,  0.02,  0.06)
168:     strbnd  (  0.484,   0.974,   0.159)  (  0.484,   0.974,   0.159)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.001,  -0.000,   0.004)  ( -0.001,  -0.000,   0.004)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.977,   0.183,   0.792)  (  2.977,   0.183,   0.792)  ( 0.00,  0.00,  0.00)
168:     electro (  0.894,   0.243,   0.244)  (  0.894,   0.243,   0.244)  ( 0.00,  0.00,  0.00)
168:  7       (  0.265,   0.865,   0.092)  (  0.269,   0.873,   0.093)  ( 0.11,  0.67,  0.01)
168:     bond    (  0.245,   0.341,   0.076)  (  0.249,   0.348,   0.077)  ( 0.10,  0.26,  0.00)
168:     angle   ( -0.389,   0.299,  -0.100)  ( -0.389,   0.299,  -0.099)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.646,   0.581,   0.189)  (  0.646,   0.581,   0.189)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.237,  -0.356,  -0.074)  ( -0.237,  -0.356,  -0.074)  ( 0.00,  0.00,  0.00)
168: ok 4 # gradients 
168: ok 5 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       (  0.639,   0.075,  -0.164)  (  0.645,   0.078,  -0.160)  ( 0.33,  0.02,  0.07)
168:     bond    (  4.786,   0.643,  -1.120)  (  4.790,   0.648,  -1.116)  ( 0.08,  0.30,  0.40)
168:     angle   ( -4.248,  -1.205,   2.065)  ( -4.246,  -1.204,   2.067)  ( 0.04,  0.13,  0.09)
168:     strbnd  (  1.309,   0.175,  -0.296)  (  1.308,   0.175,  -0.297)  ( 0.05,  0.01,  0.02)
168:     torsion (  0.038,  -0.180,   0.270)  (  0.038,  -0.180,   0.270)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,   0.019,   0.011)  ( -0.000,   0.016,   0.009)  ( 0.00,  0.01,  0.00)
168:     vdw     ( -0.992,   0.534,  -0.937)  ( -0.992,   0.534,  -0.937)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.255,   0.090,  -0.157)  ( -0.255,   0.090,  -0.157)  ( 0.00,  0.00,  0.00)
168:  2       (  0.112,  -0.042,   0.049)  (  0.120,  -0.042,   0.054)  ( 0.08,  0.00,  0.03)
168:     bond    ( -6.313,   3.829,  -6.633)  ( -6.307,   3.832,  -6.625)  ( 0.09,  0.07,  0.12)
168:     angle   ( 14.795,   1.490,  -2.461)  ( 14.798,   1.491,  -2.460)  ( 0.02,  0.05,  0.06)
168:     strbnd  ( -8.362,  -5.365,   9.214)  ( -8.362,  -5.366,   9.212)  ( 0.01,  0.01,  0.02)
168:     torsion ( -0.008,  -0.021,  -0.086)  ( -0.008,  -0.021,  -0.086)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.026,   0.015)  (  0.000,   0.022,   0.012)  ( 0.00,  0.01,  0.00)
168:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  3       ( -2.634,   4.586,  -7.960)  ( -2.632,   4.583,  -7.958)  ( 0.10,  0.07,  0.03)
168:     bond    ( -1.795,  -1.762,   3.022)  ( -1.793,  -1.760,   3.028)  ( 0.11,  0.11,  0.18)
168:     angle   ( -8.883,   2.272,  -3.938)  ( -8.882,   2.272,  -3.938)  ( 0.01,  0.00,  0.00)
168:     strbnd  (  5.080,   5.487,  -9.440)  (  5.080,   5.487,  -9.440)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.000,  -0.052,  -0.030)  (  0.000,  -0.052,  -0.030)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,   0.025,   0.014)  ( -0.000,   0.020,   0.012)  ( 0.00,  0.01,  0.00)
168:     vdw     (  2.113,   0.148,  -0.250)  (  2.113,   0.148,  -0.250)  ( 0.00,  0.00,  0.00)
168:     electro (  0.850,  -1.532,   2.661)  (  0.850,  -1.532,   2.661)  ( 0.00,  0.00,  0.00)
168:  4       ( -0.053,  -0.027,   0.018)  ( -0.044,   0.028,   0.054)  ( 0.05,  0.15,  0.06)
168:     bond    (  1.797,  -0.285,   0.335)  (  1.804,  -0.284,   0.341)  ( 0.39,  0.05,  0.18)
168:     angle   ( -6.314,   1.453,  -2.828)  ( -6.313,   1.453,  -2.827)  ( 0.03,  0.02,  0.04)
168:     strbnd  (  0.607,  -1.012,   1.791)  (  0.607,  -1.012,   1.791)  ( 0.01,  0.01,  0.02)
168:     torsion (  0.002,   0.484,   0.279)  (  0.002,   0.484,   0.279)  ( 0.00,  0.02,  0.00)
168:     oop     (  0.001,  -0.313,  -0.179)  (  0.001,  -0.260,  -0.148)  ( 0.00,  1.66,  0.54)
168:     vdw     (  3.855,  -0.353,   0.619)  (  3.855,  -0.353,   0.619)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  5       ( -0.729,  -1.632,   2.845)  ( -0.727,  -1.654,   2.835)  ( 0.10,  1.35,  0.35)
168:     bond    ( -2.157,  -2.229,   3.948)  ( -2.156,  -2.228,   3.951)  ( 0.04,  0.04,  0.08)
168:     angle   ( -0.484,   0.182,  -0.161)  ( -0.483,   0.182,  -0.161)  ( 0.03,  0.00,  0.00)
168:     strbnd  (  0.577,   0.505,  -0.902)  (  0.577,   0.505,  -0.902)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.003,  -0.213,  -0.121)  ( -0.003,  -0.213,  -0.121)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.125,   0.071)  (  0.000,   0.102,   0.058)  ( 0.00,  0.29,  0.09)
168:     vdw     (  1.088,  -0.556,   0.972)  (  1.088,  -0.556,   0.972)  ( 0.00,  0.00,  0.00)
168:     electro (  0.249,   0.553,  -0.960)  (  0.249,   0.553,  -0.960)  ( 0.00,  0.00,  0.00)
168:  6       (  2.555,  -2.666,   4.624)  (  2.560,  -2.683,   4.614)  ( 0.20,  0.63,  0.20)
168:     bond    (  3.250,   0.122,  -0.167)  (  3.255,   0.122,  -0.167)  ( 0.15,  0.00,  0.00)
168:     angle   (  0.458,  -3.605,   6.307)  (  0.458,  -3.605,   6.308)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( -0.266,  -0.042,   0.065)  ( -0.266,  -0.042,   0.065)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.001,  -0.156,  -0.091)  (  0.001,  -0.156,  -0.091)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.001,   0.118,   0.067)  ( -0.001,   0.101,   0.058)  ( 0.00,  0.20,  0.07)
168:     vdw     ( -0.044,   0.008,  -0.015)  ( -0.044,   0.008,  -0.015)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.845,   0.890,  -1.543)  ( -0.845,   0.890,  -1.543)  ( 0.00,  0.00,  0.00)
168:  7       ( -0.050,  -0.182,   0.030)  ( -0.049,  -0.179,   0.030)  ( 0.00,  0.06,  0.00)
168:     bond    (  0.021,   0.069,  -0.002)  (  0.021,   0.073,  -0.002)  ( 0.00,  0.02,  0.00)
168:     angle   (  1.553,  -0.437,   0.860)  (  1.553,  -0.437,   0.860)  ( 0.03,  0.00,  0.04)
168:     strbnd  (  0.368,   0.645,  -0.047)  (  0.368,   0.645,  -0.047)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.015,   0.001,  -0.149)  ( -0.015,   0.001,  -0.149)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.977,  -0.460,  -0.633)  ( -1.977,  -0.460,  -0.633)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  8       ( -0.053,   0.067,   0.183)  ( -0.052,   0.068,   0.186)  ( 0.00,  0.01,  0.05)
168:     bond    (  0.017,  -0.029,  -0.055)  (  0.018,  -0.028,  -0.053)  ( 0.00,  0.00,  0.01)
168:     angle   (  1.567,  -0.533,   0.815)  (  1.568,  -0.532,   0.815)  ( 0.03,  0.02,  0.01)
168:     strbnd  (  0.370,  -0.276,  -0.582)  (  0.370,  -0.276,  -0.582)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.016,   0.130,  -0.075)  ( -0.016,   0.130,  -0.075)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.992,   0.775,   0.081)  ( -1.992,   0.775,   0.081)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  9       (  0.179,  -0.202,   0.342)  (  0.180,  -0.201,   0.344)  ( 0.02,  0.02,  0.08)
168:     bond    (  0.367,  -0.375,   0.641)  (  0.368,  -0.374,   0.643)  ( 0.02,  0.03,  0.13)
168:     angle   (  1.546,   0.380,  -0.664)  (  1.547,   0.380,  -0.664)  ( 0.03,  0.01,  0.01)
168:     strbnd  (  0.317,  -0.116,   0.199)  (  0.317,  -0.116,   0.199)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.052,  -0.097,   0.162)  ( -2.052,  -0.097,   0.162)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: ok 6 # gradients 
168: ok 7 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       (  2.140,  -0.166,   0.754)  (  2.145,  -0.160,   0.760)  ( 0.24,  0.10,  0.43)
168:     bond    ( -4.893,   2.856,  -3.005)  ( -4.889,   2.861,  -3.000)  ( 0.09,  0.16,  0.15)
168:     angle   (  1.859,  -4.639,   2.751)  (  1.861,  -4.637,   2.752)  ( 0.10,  0.04,  0.06)
168:     strbnd  (  0.352,  -0.450,   0.642)  (  0.351,  -0.450,   0.641)  ( 0.05,  0.03,  0.04)
168:     torsion ( -0.296,  -0.439,   0.009)  ( -0.296,  -0.439,   0.009)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.689,   2.322,   0.608)  (  5.689,   2.322,   0.608)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.570,   0.183,  -0.250)  ( -0.570,   0.183,  -0.250)  ( 0.00,  0.00,  0.00)
168:  2       ( -0.776,  -0.622,  -0.218)  ( -0.780,  -0.606,  -0.189)  ( 0.23,  0.97,  0.62)
168:     bond    (  7.306,  -2.470,   3.157)  (  7.312,  -2.468,   3.158)  ( 0.07,  0.08,  0.02)
168:     angle   (  2.892,   8.647,  -4.003)  (  2.893,   8.648,  -4.002)  ( 0.01,  0.02,  0.01)
168:     strbnd  (-10.808,  -7.207,  -0.152)  (-10.809,  -7.207,  -0.152)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.221,   0.486,   0.955)  ( -0.221,   0.486,   0.955)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.054,  -0.078,  -0.175)  (  0.045,  -0.066,  -0.147)  ( 0.04,  0.09,  0.48)
168:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  3       (  0.077,  -0.215,  -0.263)  (  0.077,  -0.212,  -0.263)  ( 0.01,  0.07,  0.02)
168:     bond    (  0.045,   0.977,   0.187)  (  0.045,   0.980,   0.187)  ( 0.00,  0.32,  0.00)
168:     angle   ( -5.704,   0.511,  -1.299)  ( -5.703,   0.511,  -1.299)  ( 0.01,  0.00,  0.04)
168:     strbnd  ( -0.435,   0.449,  -0.226)  ( -0.435,   0.449,  -0.226)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.156,  -0.037,   0.231)  ( -0.156,  -0.037,   0.231)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  6.326,  -2.115,   0.844)  (  6.326,  -2.115,   0.844)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  4       ( -0.154,  -0.035,   0.283)  ( -0.151,  -0.034,   0.284)  ( 0.04,  0.00,  0.03)
168:     bond    ( -0.518,  -0.212,   0.225)  ( -0.515,  -0.211,   0.226)  ( 0.13,  0.01,  0.01)
168:     angle   (  0.309,  -0.045,   0.666)  (  0.310,  -0.044,   0.666)  ( 0.01,  0.00,  0.03)
168:     strbnd  ( -0.108,   0.417,  -0.398)  ( -0.108,   0.418,  -0.398)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.012,  -0.211,  -0.225)  ( -0.012,  -0.211,  -0.225)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.175,   0.014,   0.016)  (  0.175,   0.014,   0.016)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  5       ( -0.220,  -0.180,  -0.107)  ( -0.219,  -0.179,  -0.104)  ( 0.01,  0.01,  0.04)
168:     bond    (  0.005,  -0.076,  -0.456)  (  0.005,  -0.076,  -0.453)  ( 0.00,  0.00,  0.15)
168:     angle   ( -1.188,  -0.996,   0.154)  ( -1.187,  -0.996,   0.154)  ( 0.05,  0.05,  0.00)
168:     strbnd  ( -0.441,   0.249,  -0.473)  ( -0.441,   0.249,  -0.473)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.429,   0.568,  -0.091)  (  0.429,   0.568,  -0.091)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.975,   0.076,   0.758)  (  0.975,   0.076,   0.758)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  6       (  0.815,   1.141,  -0.215)  (  0.856,   1.101,  -0.316)  ( 3.35,  3.49,  2.17)
168:     bond    ( -0.770,  -0.798,   0.110)  ( -0.761,  -0.793,   0.112)  ( 0.74,  0.41,  0.02)
168:     angle   ( -6.533,  -4.058,  -0.587)  ( -6.531,  -4.056,  -0.587)  ( 0.02,  0.05,  0.02)
168:     strbnd  ( 13.048,   4.199,   2.149)  ( 13.046,   4.199,   2.149)  ( 0.02,  0.01,  0.01)
168:     torsion (  0.259,  -0.370,  -0.890)  (  0.259,  -0.370,  -0.889)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.183,   0.268,   0.599)  ( -0.151,   0.221,   0.495)  ( 0.59,  1.25,  6.20)
168:     vdw     ( -5.005,   1.900,  -1.595)  ( -5.005,   1.900,  -1.595)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  7       ( -2.349,   0.240,  -0.842)  ( -2.356,   0.262,  -0.794)  ( 0.32,  0.54,  4.02)
168:     bond    ( -1.232,   0.565,  -0.626)  ( -1.226,   0.566,  -0.625)  ( 0.52,  0.08,  0.10)
168:     angle   ( -0.414,  -0.699,   0.179)  ( -0.414,  -0.698,   0.179)  ( 0.01,  0.04,  0.00)
168:     strbnd  ( -1.351,   0.487,  -0.628)  ( -1.351,   0.487,  -0.628)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.063,   0.092,   0.208)  ( -0.063,   0.092,   0.208)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.065,  -0.095,  -0.213)  (  0.051,  -0.074,  -0.167)  ( 0.09,  0.19,  0.98)
168:     vdw     ( -0.079,   0.007,  -0.027)  ( -0.079,   0.007,  -0.027)  ( 0.00,  0.00,  0.00)
168:     electro (  0.727,  -0.117,   0.266)  (  0.727,  -0.117,   0.266)  ( 0.00,  0.00,  0.00)
168:  8       (  0.435,  -0.189,   0.589)  (  0.427,  -0.172,   0.621)  ( 0.38,  0.32,  1.92)
168:     bond    (  0.028,  -0.862,   0.394)  (  0.028,  -0.860,   0.395)  ( 0.00,  0.24,  0.02)
168:     angle   (  8.772,   1.272,   2.136)  (  8.772,   1.272,   2.136)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( -0.253,   1.856,  -0.912)  ( -0.253,   1.856,  -0.912)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.061,  -0.089,  -0.197)  (  0.061,  -0.089,  -0.197)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.065,  -0.096,  -0.213)  (  0.055,  -0.081,  -0.181)  ( 0.06,  0.14,  0.68)
168:     vdw     ( -8.081,  -2.204,  -0.604)  ( -8.081,  -2.204,  -0.604)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.157,  -0.066,  -0.016)  ( -0.157,  -0.066,  -0.016)  ( 0.00,  0.00,  0.00)
168: ok 8 # gradients 
168: ok 9 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       (  6.021,  -8.841,  15.336)  (  6.025,  -8.837,  15.339)  ( 0.07,  0.04,  0.02)
168:     bond    ( 13.697, -19.381,  33.622)  ( 13.700, -19.379,  33.624)  ( 0.02,  0.02,  0.01)
168:     angle   ( -4.188,   5.759,  -9.944)  ( -4.187,   5.761,  -9.942)  ( 0.03,  0.02,  0.02)
168:     strbnd  ( -3.294,   4.646,  -8.104)  ( -3.295,   4.645,  -8.105)  ( 0.02,  0.01,  0.01)
168:     torsion ( -0.194,   0.135,  -0.238)  ( -0.194,   0.135,  -0.238)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  2       ( -9.933,  -2.704,   4.639)  ( -9.929,  -2.699,   4.644)  ( 0.04,  0.19,  0.11)
168:     bond    (-13.151,   0.001,   0.002)  (-13.148,   0.005,   0.006)  ( 0.03,  0.00,  0.00)
168:     angle   ( -5.431,  -2.186,   3.739)  ( -5.429,  -2.184,   3.741)  ( 0.03,  0.08,  0.04)
168:     strbnd  (  4.098,  -2.031,   3.530)  (  4.097,  -2.031,   3.529)  ( 0.04,  0.02,  0.01)
168:     torsion ( -0.000,   0.166,  -0.285)  (  0.000,   0.166,  -0.285)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  3       (  3.813,   8.396,   5.795)  (  3.819,   8.400,   5.800)  ( 0.14,  0.05,  0.09)
168:     bond    (  4.362,  12.392,  -0.017)  (  4.366,  12.395,  -0.013)  ( 0.09,  0.03,  0.01)
168:     angle   (  3.888,   4.351,   3.744)  (  3.890,   4.353,   3.746)  ( 0.05,  0.04,  0.04)
168:     strbnd  (  0.568,  -4.531,   3.529)  (  0.568,  -4.532,   3.529)  ( 0.03,  0.03,  0.01)
168:     torsion (  0.479,  -0.170,   0.882)  (  0.479,  -0.170,   0.882)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  4       (  3.726,  -9.185,  -4.409)  (  3.731,  -9.180,  -4.405)  ( 0.14,  0.05,  0.09)
168:     bond    (  4.377,  -6.197, -10.754)  (  4.381,  -6.194, -10.751)  ( 0.09,  0.06,  0.03)
168:     angle   (  3.836,  -5.397,  -1.958)  (  3.837,  -5.396,  -1.956)  ( 0.05,  0.03,  0.09)
168:     strbnd  (  0.555,  -0.774,   5.727)  (  0.555,  -0.774,   5.725)  ( 0.03,  0.04,  0.02)
168:     torsion (  0.478,  -0.675,   0.585)  (  0.478,  -0.675,   0.585)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  5       ( -2.313,  28.066,   0.105)  ( -2.312,  28.068,   0.106)  ( 0.04,  0.01,  0.01)
168:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
168:     angle   (  1.760,   0.623,  -0.007)  (  1.760,   0.623,  -0.006)  ( 0.03,  0.00,  0.00)
168:     strbnd  ( -1.908,  -0.349,   0.000)  ( -1.908,  -0.349,   0.000)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,   0.152)  (  0.000,   0.000,   0.152)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  6       ( -9.233, -13.275,  23.034)  ( -9.232, -13.274,  23.036)  ( 0.01,  0.01,  0.01)
168:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
168:     angle   (  1.828,  -0.303,   0.571)  (  1.829,  -0.302,   0.572)  ( 0.02,  0.01,  0.01)
168:     strbnd  ( -1.910,   0.171,  -0.295)  ( -1.910,   0.171,  -0.295)  ( 0.00,  0.00,  0.00)
169: # Testing MMFF94 Force Field...
169: ==============================
169: *** Open Babel Error  in SafeOpen
169:   Unable to open file '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/more-mmff94e4sresults.txt' in read mode
169: Bail out! Cannot read file /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/more-mmff94e4sresults.txt
170: # Testing UFF Force Field...
170: ok 1 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (116.287,  -8.442, -22.838)  (115.961,  -8.715, -21.215)  ( 0.28,  3.23,  7.11)
170:     bond    ( 22.087,  34.962,  11.952)  ( 22.113,  34.988,  11.955)  ( 0.12,  0.08,  0.02)
170:     angle   (165.435, -77.004,  22.812)  (165.451, -76.990,  22.815)  ( 0.01,  0.02,  0.01)
170:     torsion (  9.259,   8.251, -38.340)  (  9.260,   8.252, -38.324)  ( 0.01,  0.01,  0.04)
170:     oop     (  2.175,   1.906,  -9.509)  (  1.805,   1.591,  -7.909)  (17.02, 16.54, 16.83)
170:     vdw     (-82.669,  23.444,  -9.752)  (-82.667,  23.444,  -9.753)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (-155.800, 150.666, 267.741)  (-154.650, 151.649, 263.333)  ( 0.74,  0.65,  1.65)
170:     bond    (  9.289,  69.441,  23.457)  (  9.318,  69.474,  23.461)  ( 0.31,  0.05,  0.02)
170:     angle   (-107.245, 105.199, 110.114)  (-107.231, 105.217, 110.118)  ( 0.01,  0.02,  0.00)
170:     torsion (-32.308, -13.312,  54.815)  (-32.307, -13.311,  54.830)  ( 0.00,  0.00,  0.03)
170:     oop     ( -6.535,  -5.596,  26.451)  ( -5.431,  -4.669,  22.019)  (16.90, 16.58, 16.75)
170:     vdw     (-19.000,  -5.065,  52.904)  (-19.000,  -5.063,  52.905)  ( 0.00,  0.04,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (-57.832,  13.874, -100.971)  (-58.268,  13.545, -99.127)  ( 0.76,  2.38,  1.83)
170:     bond    (-38.862, -10.395, -15.474)  (-38.837, -10.368, -15.471)  ( 0.07,  0.26,  0.02)
170:     angle   (-109.964, -43.953, -25.984)  (-109.949, -43.939, -25.981)  ( 0.01,  0.03,  0.01)
170:     torsion ( 21.720,  18.174, -85.176)  ( 21.721,  18.175, -85.164)  ( 0.00,  0.00,  0.01)
170:     oop     (  2.730,   2.131, -10.332)  (  2.250,   1.759,  -8.506)  (17.57, 17.48, 17.67)
170:     vdw     ( 66.545,  47.917,  35.994)  ( 66.546,  47.918,  35.994)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       (184.459, -239.482, -29.973)  (184.508, -239.437, -29.957)  ( 0.03,  0.02,  0.06)
170:     bond    (-32.139,   7.417,  -7.582)  (-32.111,   7.449,  -7.577)  ( 0.09,  0.43,  0.06)
170:     angle   (144.581, -202.810, -20.798)  (144.599, -202.798, -20.794)  ( 0.01,  0.01,  0.02)
170:     torsion ( -1.634,  -4.597,  -9.079)  ( -1.633,  -4.596,  -9.069)  ( 0.06,  0.02,  0.11)
170:     oop     ( -0.003,  -0.005,   0.035)  ( -0.004,  -0.005,   0.033)  ( 0.00,  0.00,  0.01)
170:     vdw     ( 73.655, -39.487,   7.449)  ( 73.657, -39.486,   7.449)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-72.114, 270.082, 106.351)  (-72.064, 270.118, 106.344)  ( 0.07,  0.01,  0.01)
170:     bond    ( 18.507,  66.722,  22.387)  ( 18.545,  66.737,  22.391)  ( 0.21,  0.02,  0.02)
170:     angle   (-58.001, 253.644,  45.410)  (-57.997, 253.659,  45.411)  ( 0.01,  0.01,  0.00)
170:     torsion (-14.088, -14.246,  55.093)  (-14.087, -14.246,  55.103)  ( 0.00,  0.01,  0.02)
170:     oop     ( -0.043,  -0.038,   0.154)  ( -0.037,  -0.032,   0.132)  ( 0.03,  0.02,  0.34)
170:     vdw     (-18.489, -36.000, -16.693)  (-18.488, -35.999, -16.693)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (-144.386, -274.299, -65.742)  (-144.318, -274.236, -65.806)  ( 0.05,  0.02,  0.10)
170:     bond    ( 24.508, -14.699,   2.276)  ( 24.539, -14.671,   2.278)  ( 0.13,  0.19,  0.12)
170:     angle   (-110.762, -191.038, -70.306)  (-110.747, -191.026, -70.305)  ( 0.01,  0.01,  0.00)
170:     torsion ( -6.352,  -6.639,  30.953)  ( -6.351,  -6.638,  30.969)  ( 0.01,  0.01,  0.05)
170:     oop     ( -0.117,  -0.124,   0.529)  ( -0.098,  -0.104,   0.445)  ( 0.22,  0.25,  4.46)
170:     vdw     (-51.662, -61.799, -29.194)  (-51.661, -61.798, -29.193)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (122.317, 204.297,  91.404)  (122.354, 204.333,  91.400)  ( 0.03,  0.02,  0.00)
170:     bond    (-59.287,  40.804, -39.722)  (-59.267,  40.822, -39.705)  ( 0.03,  0.04,  0.04)
170:     angle   (169.152, 160.163, 141.143)  (169.162, 160.174, 141.153)  ( 0.01,  0.01,  0.01)
170:     torsion ( 11.730,  31.489,  -2.761)  ( 11.730,  31.488,  -2.760)  ( 0.00,  0.00,  0.02)
170:     oop     ( -0.052,  -0.048,   0.202)  ( -0.044,  -0.041,   0.170)  ( 0.04,  0.04,  0.63)
170:     vdw     (  0.773, -28.111,  -7.459)  (  0.773, -28.110,  -7.459)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (203.160, -45.288, -431.202)  (202.847, -45.562, -429.849)  ( 0.15,  0.61,  0.31)
170:     bond    ( 95.715,  18.633, -250.426)  ( 95.719,  18.665, -250.410)  ( 0.00,  0.17,  0.01)
170:     angle   (101.532, -91.827, -165.456)  (101.541, -91.824, -165.450)  ( 0.01,  0.00,  0.00)
170:     torsion ( 13.941,   3.202,  -5.164)  ( 13.941,   3.202,  -5.161)  ( 0.00,  0.01,  0.05)
170:     oop     (  2.059,   1.964,  -8.438)  (  1.732,   1.654,  -7.110)  (15.90, 15.77, 15.74)
170:     vdw     (-10.088,  22.740,  -1.718)  (-10.086,  22.741,  -1.718)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (-119.586,  -4.170, 306.701)  (-119.558,  -4.136, 306.738)  ( 0.02,  0.82,  0.01)
170:     bond    (-74.362, -193.521, 251.137)  (-74.343, -193.499, 251.163)  ( 0.03,  0.01,  0.01)
170:     angle   (-42.941, 160.865,  63.012)  (-42.932, 160.877,  63.023)  ( 0.02,  0.01,  0.02)
170:     torsion (  3.312,   2.617,   2.887)  (  3.313,   2.617,   2.887)  ( 0.01,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -5.595,  25.869, -10.335)  ( -5.595,  25.869, -10.335)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (  1.128, -17.670,   8.275)  (  1.188, -17.614,   8.174)  ( 5.31,  0.31,  1.23)
170:     bond    (-74.691, -54.906, -31.978)  (-74.672, -54.888, -31.960)  ( 0.03,  0.03,  0.06)
170:     angle   ( 57.560,  23.646,  21.495)  ( 57.570,  23.656,  21.502)  ( 0.02,  0.04,  0.03)
170:     torsion ( -0.752,  -2.541,   6.822)  ( -0.753,  -2.542,   6.822)  ( 0.05,  0.04,  0.01)
170:     oop     ( -0.164,  -0.141,   0.673)  ( -0.133,  -0.114,   0.545)  ( 0.51,  0.38,  8.62)
170:     vdw     ( 19.175,  16.273,  11.263)  ( 19.176,  16.274,  11.263)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (  7.300, -10.594,  -0.715)  (  7.342, -10.551,  -0.744)  ( 0.59,  0.40,  2.08)
170:     bond    ( 70.242, -27.806,  10.923)  ( 70.262, -27.788,  10.941)  ( 0.03,  0.06,  0.17)
170:     angle   (-42.172,  23.429,  -1.074)  (-42.163,  23.439,  -1.067)  ( 0.02,  0.04,  0.67)
170:     torsion (  0.776,   0.111,  -5.336)  (  0.776,   0.112,  -5.332)  ( 0.02,  0.01,  0.06)
170:     oop     ( -0.068,  -0.069,   0.306)  ( -0.055,  -0.056,   0.248)  ( 0.09,  0.09,  1.78)
170:     vdw     (-21.478,  -6.259,  -5.534)  (-21.477,  -6.258,  -5.534)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (-347.962, -83.970, -34.862)  (-347.919, -83.904, -34.737)  ( 0.01,  0.08,  0.36)
170:     bond    (-95.159,  57.313, -18.541)  (-95.123,  57.343, -18.539)  ( 0.04,  0.05,  0.01)
170:     angle   (-217.544, -227.821,   8.524)  (-217.526, -227.800,   8.524)  ( 0.01,  0.01,  0.00)
170:     torsion (  0.732,  -1.049,  -7.161)  (  0.733,  -1.048,  -7.131)  ( 0.03,  0.07,  0.43)
170:     oop     (  0.065,  -0.091,  -0.610)  (  0.054,  -0.078,  -0.517)  ( 0.07,  0.12,  5.67)
170:     vdw     (-36.057,  87.678, -17.073)  (-36.056,  87.680, -17.073)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (-47.159,   1.404,  -6.248)  (-47.121,   1.446,  -6.216)  ( 0.08,  2.99,  0.52)
170:     bond    (  4.431, -78.812,  12.662)  (  4.458, -78.785,  12.664)  ( 0.61,  0.03,  0.01)
170:     angle   (-82.462,  46.267, -15.546)  (-82.451,  46.280, -15.546)  ( 0.01,  0.03,  0.00)
170:     torsion (  0.144,  -0.241,  -1.412)  (  0.144,  -0.240,  -1.388)  ( 0.00,  0.01,  1.66)
170:     oop     ( -0.002,   0.003,   0.018)  ( -0.003,   0.004,   0.025)  ( 0.00,  0.00,  0.01)
170:     vdw     ( 30.730,  34.187,  -1.971)  ( 30.731,  34.188,  -1.971)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       ( 96.852,   4.630,   8.342)  ( 96.892,   4.670,   8.379)  ( 0.04,  0.87,  0.43)
170:     bond    (-81.099, -19.893,  -5.762)  (-81.075, -19.864,  -5.760)  ( 0.03,  0.15,  0.03)
170:     angle   ( 84.801,  33.466,   4.032)  ( 84.815,  33.475,   4.033)  ( 0.02,  0.03,  0.01)
170:     torsion (  0.104,  -0.149,  -0.999)  (  0.104,  -0.149,  -0.979)  ( 0.00,  0.01,  2.05)
170:     oop     (  0.008,  -0.012,  -0.078)  (  0.007,  -0.010,  -0.064)  ( 0.00,  0.00,  0.10)
170:     vdw     ( 93.038,  -8.781,  11.149)  ( 93.040,  -8.782,  11.149)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       ( 24.690, -95.271,  15.467)  ( 24.730, -95.231,  15.482)  ( 0.16,  0.04,  0.10)
170:     bond    ( -7.132,  82.507, -13.213)  ( -7.103,  82.532, -13.212)  ( 0.40,  0.03,  0.01)
170:     angle   ( -4.266, -90.118,  13.138)  ( -4.256, -90.105,  13.138)  ( 0.23,  0.01,  0.00)
170:     torsion (  0.185,  -0.262,  -1.771)  (  0.185,  -0.261,  -1.751)  ( 0.00,  0.01,  1.16)
170:     oop     ( -0.005,   0.007,   0.047)  ( -0.004,   0.006,   0.039)  ( 0.00,  0.00,  0.04)
170:     vdw     ( 35.908, -87.405,  17.267)  ( 35.909, -87.403,  17.267)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       (-14.226,  47.407,  -7.376)  (-14.186,  47.450,  -7.339)  ( 0.27,  0.09,  0.50)
170:     bond    ( 79.107,  23.236,   4.878)  ( 79.134,  23.262,   4.880)  ( 0.03,  0.11,  0.03)
170:     angle   (-66.419,  62.051, -14.039)  (-66.406,  62.063, -14.039)  ( 0.02,  0.02,  0.00)
170:     torsion (  0.056,  -0.204,  -1.211)  (  0.056,  -0.203,  -1.189)  ( 0.00,  0.01,  1.85)
170:     oop     ( -0.002,   0.001,   0.008)  ( -0.003,   0.003,   0.021)  ( 0.00,  0.00,  0.01)
170:     vdw     (-26.968, -37.677,   2.988)  (-26.968, -37.676,   2.988)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       (-39.515, 382.680, -63.790)  (-39.454, 382.721, -63.819)  ( 0.16,  0.01,  0.04)
170:     bond    (-133.796,  87.788, -25.421)  (-133.762,  87.821, -25.419)  ( 0.03,  0.04,  0.01)
170:     angle   (188.007, 285.937, -24.977)  (188.027, 285.953, -24.977)  ( 0.01,  0.01,  0.00)
170:     torsion (  0.382,  -0.385,  -2.583)  (  0.383,  -0.384,  -2.558)  ( 0.01,  0.02,  0.99)
170:     oop     ( -0.021,   0.035,   0.233)  ( -0.016,   0.027,   0.176)  ( 0.01,  0.03,  1.31)
170:     vdw     (-94.088,   9.305, -11.042)  (-94.085,   9.305, -11.042)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       (212.966, -78.853,  86.599)  (213.063, -78.852,  86.189)  ( 0.05,  0.00,  0.47)
170:     bond    ( 32.722, -204.290,  33.509)  ( 32.759, -204.250,  33.510)  ( 0.11,  0.02,  0.00)
170:     angle   (159.584, 163.634, -10.633)  (159.597, 163.653, -10.632)  ( 0.01,  0.01,  0.01)
170:     torsion ( -5.949,   8.499,  59.353)  ( -5.949,   8.500,  59.376)  ( 0.00,  0.01,  0.04)
170:     oop     ( -0.214,   0.297,   2.136)  ( -0.168,   0.239,   1.700)  ( 0.99,  1.74, 20.41)
170:     vdw     ( 26.823, -46.995,   2.235)  ( 26.824, -46.994,   2.235)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       (1019.396, 300.440,  81.714)  (1019.454, 300.455,  81.497)  ( 0.01,  0.00,  0.27)
170:     bond    (111.633,   0.358,   7.479)  (111.661,   0.396,   7.479)  ( 0.03,  1.35,  0.00)
170:     angle   (888.998, 300.890,  82.517)  (889.014, 300.903,  82.518)  ( 0.00,  0.00,  0.00)
170:     torsion ( -0.754,   0.132,   4.980)  ( -0.754,   0.133,   4.992)  ( 0.00,  0.00,  0.25)
170:     oop     ( -0.014,   0.046,   0.300)  ( -0.002,   0.010,   0.069)  ( 0.02,  0.17,  6.96)
170:     vdw     ( 19.534,  -0.986, -13.562)  ( 19.534,  -0.986, -13.562)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       (-388.615, -447.620,  27.265)  (-388.593, -447.552,  27.475)  ( 0.01,  0.02,  0.77)
170:     bond    (187.005, -176.800,  44.071)  (187.029, -176.769,  44.073)  ( 0.01,  0.02,  0.00)
170:     angle   (-578.131, -267.848,  -1.152)  (-578.119, -267.841,  -1.153)  ( 0.00,  0.00,  0.03)
170:     torsion (  0.858,  -2.027, -13.278)  (  0.858,  -2.026, -13.269)  ( 0.01,  0.01,  0.06)
170:     oop     (  0.040,  -0.081,  -0.537)  (  0.027,  -0.051,  -0.337)  ( 0.05,  0.25, 10.76)
170:     vdw     (  1.612,  -0.864,  -1.840)  (  1.612,  -0.864,  -1.840)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       (-794.623, -314.468, -466.439)  (-794.605, -314.423, -466.288)  ( 0.00,  0.01,  0.03)
170:     bond    (-161.101,   6.643, -48.436)  (-161.085,   6.666, -48.428)  ( 0.01,  0.34,  0.02)
170:     angle   (-581.286, -318.955, -397.058)  (-581.278, -318.953, -397.054)  ( 0.00,  0.00,  0.00)
170:     torsion (  3.410,  -0.722, -12.178)  (  3.410,  -0.722, -12.176)  ( 0.00,  0.01,  0.02)
170:     oop     (  0.022,  -0.047,  -0.324)  (  0.014,  -0.027,  -0.187)  ( 0.02,  0.10,  4.46)
170:     vdw     (-55.668,  -1.388,  -8.443)  (-55.666,  -1.388,  -8.443)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       (-105.736, 234.763, 265.708)  (-105.719, 234.782, 265.709)  ( 0.02,  0.01,  0.00)
170:     bond    ( 86.180, 110.253,  19.659)  ( 86.189, 110.267,  19.659)  ( 0.01,  0.01,  0.00)
170:     angle   ( 55.099, -87.896, 251.431)  ( 55.101, -87.895, 251.433)  ( 0.00,  0.00,  0.00)
170:     torsion ( -1.509,   0.859,   1.795)  ( -1.509,   0.859,   1.795)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-245.506, 211.547,  -7.177)  (-245.500, 211.551,  -7.178)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       (-22.924,  48.489,   2.238)  (-22.916,  48.496,   2.254)  ( 0.03,  0.01,  0.74)
170:     bond    ( 13.208,  12.111,   5.841)  ( 13.216,  12.117,   5.843)  ( 0.06,  0.05,  0.03)
170:     angle   (-43.891,  47.393,   0.985)  (-43.889,  47.395,   0.985)  ( 0.01,  0.00,  0.01)
170:     torsion (  0.664,   0.643,  -2.841)  (  0.664,   0.644,  -2.838)  ( 0.01,  0.01,  0.12)
170:     oop     (  0.018,   0.019,  -0.080)  (  0.016,   0.016,  -0.069)  ( 0.00,  0.01,  0.09)
170:     vdw     (  7.076, -11.676,  -1.667)  (  7.077, -11.676,  -1.667)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       ( -7.837, -44.589,   4.424)  ( -7.833, -44.576,   4.426)  ( 0.06,  0.03,  0.05)
170:     bond    ( -6.253, -34.723,   4.129)  ( -6.253, -34.710,   4.129)  ( 0.00,  0.04,  0.00)
170:     angle   ( -4.590,   0.221,  -5.090)  ( -4.587,   0.221,  -5.088)  ( 0.07,  0.00,  0.05)
170:     torsion (  0.281,  -1.964, -16.082)  (  0.280,  -1.964, -16.083)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.725,  -8.123,  21.468)  (  2.726,  -8.123,  21.468)  ( 0.04,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       (  6.785, -15.171,  48.550)  (  6.791, -15.167,  48.560)  ( 0.08,  0.03,  0.02)
170:     bond    ( 22.381,  13.458,  37.096)  ( 22.384,  13.459,  37.105)  ( 0.01,  0.01,  0.02)
170:     angle   (-15.995,  32.011,  -1.965)  (-15.993,  32.013,  -1.964)  ( 0.01,  0.01,  0.04)
170:     torsion ( -6.680, -21.602,  11.866)  ( -6.681, -21.603,  11.866)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  7.079, -39.037,   1.553)  (  7.080, -39.036,   1.553)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 26       ( 21.953, -18.144, -48.857)  ( 21.956, -18.136, -48.846)  ( 0.01,  0.04,  0.02)
170:     bond    (  8.565, -18.256, -28.608)  (  8.566, -18.252, -28.599)  ( 0.01,  0.02,  0.03)
170:     angle   ( -5.074, -43.418,  26.189)  ( -5.072, -43.416,  26.189)  ( 0.03,  0.01,  0.00)
170:     torsion (  9.100,  -0.002,   2.727)  (  9.100,  -0.002,   2.727)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  9.362,  43.533, -49.165)  (  9.362,  43.534, -49.164)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       (-32.837,  20.876, -23.101)  (-32.827,  20.882, -23.098)  ( 0.03,  0.03,  0.02)
170:     bond    (-33.689,  24.661,  -9.207)  (-33.681,  24.666,  -9.207)  ( 0.03,  0.02,  0.00)
170:     angle   (  4.466,   3.179,  -7.826)  (  4.467,   3.180,  -7.823)  ( 0.03,  0.05,  0.04)
170:     torsion ( -3.400,  -6.881,  -5.998)  ( -3.400,  -6.881,  -5.998)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.214,  -0.083,  -0.070)  ( -0.214,  -0.083,  -0.070)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 28       ( 29.459,  32.359,   5.387)  ( 29.468,  32.365,   5.391)  ( 0.03,  0.02,  0.08)
170:     bond    ( 32.279,  25.004,  10.637)  ( 32.287,  25.009,  10.638)  ( 0.02,  0.02,  0.01)
170:     angle   (  2.262,  -0.130,  -6.570)  (  2.263,  -0.129,  -6.566)  ( 0.04,  0.02,  0.05)
170:     torsion ( -4.847,   5.257,   2.351)  ( -4.847,   5.257,   2.351)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.236,   2.228,  -1.031)  ( -0.236,   2.228,  -1.031)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 29       ( 23.800,  -9.730,  23.722)  ( 23.807,  -9.723,  23.727)  ( 0.03,  0.07,  0.02)
170:     bond    ( 31.491, -22.473,  25.990)  ( 31.497, -22.470,  25.994)  ( 0.02,  0.01,  0.02)
170:     angle   (-10.048, -31.603, -15.144)  (-10.047, -31.601, -15.143)  ( 0.01,  0.01,  0.01)
170:     torsion ( -0.676,   0.286,   1.067)  ( -0.676,   0.286,   1.066)  ( 0.01,  0.00,  0.05)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  3.033,  44.061,  11.809)  (  3.033,  44.062,  11.809)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 30       ( 15.633,  15.357, -37.055)  ( 15.637,  15.361, -37.045)  ( 0.03,  0.02,  0.03)
170:     bond    ( 19.159,  16.724, -32.895)  ( 19.161,  16.726, -32.887)  ( 0.01,  0.01,  0.03)
170:     angle   ( -3.819,  -4.250,  -4.386)  ( -3.817,  -4.248,  -4.385)  ( 0.05,  0.04,  0.03)
170:     torsion ( -1.276,   1.541,   0.040)  ( -1.276,   1.540,   0.040)  ( 0.02,  0.03,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.569,   1.342,   0.187)  (  1.569,   1.342,   0.187)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 31       (-19.753,  28.914,  24.017)  (-19.748,  28.922,  24.022)  ( 0.02,  0.03,  0.02)
170:     bond    (-13.995,  29.540,  23.071)  (-13.993,  29.547,  23.075)  ( 0.01,  0.03,  0.02)
170:     angle   (-27.081,  -2.299, -13.480)  (-27.079,  -2.298, -13.479)  ( 0.01,  0.04,  0.01)
170:     torsion (  0.414,  -1.810,   2.570)  (  0.414,  -1.810,   2.569)  ( 0.00,  0.01,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 20.909,   3.483,  11.857)  ( 20.910,   3.483,  11.857)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 32       (-22.297, -33.757, -28.551)  (-22.289, -33.748, -28.549)  ( 0.03,  0.03,  0.01)
170:     bond    (-25.733, -29.234,  -5.362)  (-25.727, -29.226,  -5.362)  ( 0.02,  0.03,  0.00)
170:     angle   ( 19.085, -16.487,  -1.723)  ( 19.086, -16.485,  -1.721)  ( 0.01,  0.01,  0.11)
170:     torsion (  3.333,   1.004, -21.468)  (  3.333,   1.004, -21.468)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-18.982,  10.960,   0.002)  (-18.982,  10.960,   0.002)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 33       (-12.011,   7.338,  43.758)  (-12.007,   7.343,  43.768)  ( 0.03,  0.07,  0.02)
170:     bond    (-11.801,  20.330,  32.128)  (-11.800,  20.334,  32.137)  ( 0.01,  0.02,  0.03)
170:     angle   ( 16.633,   4.884,   3.016)  ( 16.635,   4.886,   3.016)  ( 0.01,  0.03,  0.03)
170:     torsion ( -7.580, -17.156,   8.071)  ( -7.580, -17.155,   8.072)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -9.262,  -0.721,   0.543)  ( -9.262,  -0.721,   0.543)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 34       ( 11.313,  44.694, -21.813)  ( 11.315,  44.701, -21.804)  ( 0.02,  0.01,  0.04)
170:     bond    ( -1.579,  24.927, -33.437)  ( -1.579,  24.932, -33.428)  ( 0.01,  0.02,  0.03)
170:     angle   ( 11.630,   2.486,   1.305)  ( 11.633,   2.487,   1.306)  ( 0.02,  0.05,  0.05)
170:     torsion (  4.701,  17.021,  12.473)  (  4.701,  17.021,  12.473)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.440,   0.260,  -2.154)  ( -3.440,   0.260,  -2.154)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 35       ( -0.828,  -5.232,  -0.655)  ( -0.821,  -5.219,  -0.641)  ( 0.59,  0.24,  0.91)
170:     bond    ( -3.744,  -5.083,   0.375)  ( -3.739,  -5.074,   0.375)  ( 0.14,  0.19,  0.00)
170:     angle   (  2.261,  -1.631,   0.531)  (  2.264,  -1.629,   0.531)  ( 0.12,  0.08,  0.00)
170:     torsion (  0.141,  -0.201,  -1.325)  (  0.141,  -0.201,  -1.320)  ( 0.00,  0.00,  0.39)
170:     oop     (  0.005,  -0.007,  -0.043)  (  0.004,  -0.005,  -0.034)  ( 0.00,  0.00,  0.04)
170:     vdw     (  0.510,   1.690,  -0.193)  (  0.510,   1.690,  -0.193)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 36       (-26.249,   5.898,  -5.175)  (-26.234,   5.903,  -5.171)  ( 0.06,  0.07,  0.08)
170:     bond    (-29.191,   3.711,  -3.730)  (-29.177,   3.711,  -3.730)  ( 0.05,  0.01,  0.01)
170:     angle   (  0.259,   1.789,  -0.245)  (  0.259,   1.793,  -0.245)  ( 0.00,  0.22,  0.00)
170:     torsion (  0.150,  -0.213,  -1.393)  (  0.150,  -0.213,  -1.388)  ( 0.00,  0.00,  0.34)
170:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.006)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.534,   0.611,   0.186)  (  2.534,   0.612,   0.186)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 37       (-14.760,  22.916,  -4.947)  (-14.755,  22.930,  -4.936)  ( 0.04,  0.06,  0.22)
170:     bond    (-12.077,  26.778,  -5.388)  (-12.074,  26.791,  -5.387)  ( 0.02,  0.05,  0.01)
170:     angle   ( -2.847,  -1.306,  -0.117)  ( -2.843,  -1.305,  -0.117)  ( 0.12,  0.05,  0.00)
170:     torsion ( -0.021,   0.028,   0.184)  ( -0.021,   0.028,   0.189)  ( 0.00,  0.00,  0.09)
170:     oop     (  0.004,  -0.005,  -0.036)  (  0.003,  -0.005,  -0.030)  ( 0.00,  0.00,  0.02)
170:     vdw     (  0.181,  -2.579,   0.409)  (  0.181,  -2.579,   0.409)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 38       (  1.676,   4.570,   2.504)  (  1.683,   4.583,   2.523)  ( 0.40,  0.29,  0.76)
170:     bond    (  3.709,   4.859,  -0.358)  (  3.715,   4.869,  -0.358)  ( 0.15,  0.19,  0.00)
170:     angle   ( -0.235,   0.177,   0.010)  ( -0.232,   0.178,   0.010)  ( 0.06,  0.02,  0.00)
170:     torsion ( -0.300,   0.446,   2.942)  ( -0.300,   0.446,   2.947)  ( 0.00,  0.01,  0.18)
170:     oop     (  0.007,  -0.011,  -0.070)  (  0.006,  -0.009,  -0.056)  ( 0.00,  0.00,  0.10)
170:     vdw     ( -1.505,  -0.901,  -0.020)  ( -1.505,  -0.901,  -0.020)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 39       (346.901, -95.929, -20.455)  (346.888, -95.873, -20.204)  ( 0.00,  0.06,  1.23)
170:     bond    ( 22.848,  82.013,  -8.313)  ( 22.850,  82.033,  -8.313)  ( 0.01,  0.02,  0.00)
170:     angle   ( 43.123, -11.220,   7.821)  ( 43.127, -11.220,   7.821)  ( 0.01,  0.00,  0.00)
170:     torsion (  2.724,  -3.366, -25.736)  (  2.724,  -3.366, -25.730)  ( 0.00,  0.00,  0.02)
170:     oop     (  0.108,  -0.137,  -1.058)  (  0.082,  -0.105,  -0.811)  ( 0.28,  0.44, 23.28)
170:     vdw     (278.098, -163.217,   6.830)  (278.106, -163.215,   6.829)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 2 # gradients 
170: ok 3 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (  1.733,  15.535,  -2.708)  (  1.768,  15.569,  -2.688)  ( 2.02,  0.22,  0.73)
170:     bond    ( 36.601,  -0.298,   9.660)  ( 36.629,  -0.276,   9.662)  ( 0.08,  0.65,  0.02)
170:     angle   (-34.951,  16.312,  -8.707)  (-34.945,  16.324,  -8.707)  ( 0.02,  0.07,  0.00)
170:     torsion (  0.899,   0.109,  -3.428)  (  0.900,   0.109,  -3.411)  ( 0.10,  0.00,  0.49)
170:     oop     ( -0.001,  -0.000,   0.001)  ( -0.000,  -0.000,   0.002)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.816,  -0.587,  -0.234)  ( -0.816,  -0.587,  -0.234)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (151.770, -56.591, -673.348)  (153.483, -56.550, -652.718)  ( 1.13,  0.07,  3.06)
170:     bond    (-73.273, -40.784, -20.641)  (-73.245, -40.761, -20.639)  ( 0.04,  0.06,  0.01)
170:     angle   ( 49.771, -31.536,  12.075)  ( 49.779, -31.523,  12.077)  ( 0.02,  0.04,  0.02)
170:     torsion (175.271,  15.729, -664.778)  (176.947,  15.734, -644.154)  ( 0.96,  0.03,  3.10)
170:     oop     (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       ( 11.806,  -5.798,   2.973)  ( 11.813,  -5.787,   2.977)  ( 0.06,  0.19,  0.14)
170:     bond    (  2.228,   3.391,   0.698)  (  2.233,   3.401,   0.698)  ( 0.20,  0.30,  0.03)
170:     angle   ( 13.563,  -9.579,   3.275)  ( 13.565,  -9.578,   3.275)  ( 0.02,  0.01,  0.00)
170:     torsion ( -0.011,  -0.001,   0.038)  ( -0.011,  -0.001,   0.041)  ( 0.00,  0.00,  0.01)
170:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.974,   0.392,  -1.037)  ( -3.974,   0.392,  -1.037)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       ( 14.242,   5.943,   3.893)  ( 14.248,   5.955,   3.897)  ( 0.04,  0.21,  0.10)
170:     bond    (  3.136,  -6.002,   0.637)  (  3.139,  -5.991,   0.637)  ( 0.10,  0.19,  0.01)
170:     angle   ( 22.453,  12.440,   6.327)  ( 22.455,  12.441,   6.327)  ( 0.01,  0.01,  0.00)
170:     torsion (  0.013,   0.002,  -0.055)  (  0.014,   0.002,  -0.052)  ( 0.00,  0.00,  0.02)
170:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-11.361,  -0.496,  -3.015)  (-11.361,  -0.496,  -3.015)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-17.209, -11.517,  -0.591)  (-17.203, -11.504,  -0.586)  ( 0.04,  0.11,  0.32)
170:     bond    (  0.266,  -0.558,   0.053)  (  0.269,  -0.546,   0.054)  ( 0.08,  0.66,  0.00)
170:     angle   (-20.390, -10.603,  -5.721)  (-20.387, -10.602,  -5.720)  ( 0.01,  0.01,  0.00)
170:     torsion ( -1.066,  -0.129,   4.031)  ( -1.065,  -0.129,   4.036)  ( 0.03,  0.00,  0.13)
170:     oop     ( -0.000,  -0.000,   0.001)  ( -0.000,  -0.000,   0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     (  3.981,  -0.227,   1.044)  (  3.981,  -0.227,   1.044)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (-372.179,  47.701, 1341.442)  (-363.825,  47.767, 1443.549)  ( 2.24,  0.14,  7.61)
170:     bond    ( 44.275,  62.791,  13.700)  ( 44.295,  62.831,  13.702)  ( 0.04,  0.06,  0.01)
170:     angle   (-26.067,  19.537,  -6.133)  (-26.059,  19.542,  -6.123)  ( 0.03,  0.02,  0.15)
170:     torsion (-401.951, -35.014, 1330.809)  (-393.626, -34.991, 1432.904)  ( 2.07,  0.07,  7.67)
170:     oop     ( -0.000,  -0.000,   0.001)  ( -0.000,  -0.000,   0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 11.565,   0.386,   3.065)  ( 11.565,   0.386,   3.065)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (197.185,   4.513, -825.382)  (199.717,   4.550, -794.431)  ( 1.28,  0.80,  3.75)
170:     bond    (-13.334, -18.685,  -4.116)  (-13.320, -18.657,  -4.115)  ( 0.11,  0.15,  0.04)
170:     angle   ( -4.410,   3.395,  -1.131)  ( -4.408,   3.396,  -1.128)  ( 0.04,  0.03,  0.25)
170:     torsion (214.325,  19.270, -820.312)  (216.841,  19.277, -789.365)  ( 1.17,  0.04,  3.77)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.604,   0.534,   0.177)  (  0.604,   0.534,   0.177)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 4 # gradients 
170: ok 5 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       ( 40.034,  81.741, -137.730)  ( 40.064,  81.759, -137.705)  ( 0.07,  0.02,  0.02)
170:     bond    ( 80.618,   6.003, -10.147)  ( 80.638,   6.021, -10.129)  ( 0.02,  0.30,  0.18)
170:     angle   (-26.047,  65.441, -112.824)  (-26.038,  65.449, -112.813)  ( 0.04,  0.01,  0.01)
170:     torsion ( -0.314,   2.650,  -1.502)  ( -0.314,   2.652,  -1.500)  ( 0.00,  0.10,  0.13)
170:     oop     ( -0.000,   0.071,   0.042)  ( -0.000,   0.060,   0.035)  ( 0.00,  0.08,  0.03)
170:     vdw     (-14.222,   7.576, -13.299)  (-14.222,   7.576, -13.299)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (-77.104, -139.691, 232.139)  (-77.049, -139.571, 232.243)  ( 0.07,  0.09,  0.04)
170:     bond    ( 24.274, -26.329,  45.326)  ( 24.304, -26.317,  45.362)  ( 0.12,  0.05,  0.08)
170:     angle   (-101.417, -109.290, 188.550)  (-101.392, -109.285, 188.561)  ( 0.02,  0.00,  0.01)
170:     torsion (  0.039,  -3.547,  -1.434)  (  0.039,  -3.539,  -1.431)  ( 0.00,  0.23,  0.20)
170:     oop     ( -0.000,  -0.525,  -0.303)  ( -0.000,  -0.430,  -0.249)  ( 0.00,  5.00,  1.64)
170:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (-31.877,  -2.025,   1.109)  (-31.862,  -2.034,   1.121)  ( 0.05,  0.45,  1.05)
170:     bond    (-14.354, -14.094,  24.209)  (-14.347, -14.088,  24.229)  ( 0.05,  0.05,  0.08)
170:     angle   (-20.650,   5.239,  -9.179)  (-20.642,   5.239,  -9.177)  ( 0.04,  0.01,  0.02)
170:     torsion (  0.001,  -1.001,  -0.581)  (  0.001,  -0.999,  -0.580)  ( 0.00,  0.22,  0.04)
170:     oop     ( -0.000,   0.093,   0.054)  ( -0.000,   0.075,   0.043)  ( 0.00,  0.17,  0.06)
170:     vdw     (  3.126,   7.739, -13.395)  (  3.126,   7.739, -13.395)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       ( 95.636, 128.805, -196.780)  ( 95.687, 128.644, -196.844)  ( 0.05,  0.13,  0.03)
170:     bond    (-89.693,  75.277, -132.994)  (-89.659,  75.286, -132.965)  ( 0.04,  0.01,  0.02)
170:     angle   (173.432,  42.177, -72.645)  (173.448,  42.180, -72.637)  ( 0.01,  0.01,  0.01)
170:     torsion (  0.082,  11.261,   6.468)  (  0.082,  11.270,   6.471)  ( 0.00,  0.08,  0.05)
170:     oop     ( -0.002,   1.098,   0.628)  ( -0.002,   0.916,   0.524)  ( 0.00, 16.58,  6.55)
170:     vdw     ( 11.817,  -1.008,   1.764)  ( 11.817,  -1.008,   1.764)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-61.047, -45.589,  66.224)  (-61.039, -45.512,  66.279)  ( 0.01,  0.17,  0.08)
170:     bond    (-38.907, -40.200,  71.261)  (-38.903, -40.195,  71.275)  ( 0.01,  0.01,  0.02)
170:     angle   (-37.911,   9.172, -15.518)  (-37.907,   9.172, -15.518)  ( 0.01,  0.00,  0.00)
170:     torsion ( -0.075,  -6.078,  -3.468)  ( -0.075,  -6.075,  -3.467)  ( 0.00,  0.04,  0.02)
170:     oop     ( -0.001,  -0.383,  -0.216)  ( -0.000,  -0.313,  -0.177)  ( 0.00,  2.70,  0.86)
170:     vdw     ( 15.846,  -8.100,  14.165)  ( 15.846,  -8.100,  14.166)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       ( 90.579, -16.110,  22.603)  ( 90.602, -16.055,  22.637)  ( 0.03,  0.34,  0.15)
170:     bond    ( 82.156,   3.085,  -4.208)  ( 82.179,   3.085,  -4.208)  ( 0.03,  0.01,  0.01)
170:     angle   (  1.185,  -9.564,  16.125)  (  1.185,  -9.562,  16.129)  ( 0.00,  0.01,  0.02)
170:     torsion (  0.017,  -2.241,  -1.310)  (  0.017,  -2.239,  -1.309)  ( 0.00,  0.08,  0.05)
170:     oop     (  0.003,  -0.360,  -0.206)  (  0.003,  -0.308,  -0.176)  ( 0.00,  1.90,  0.62)
170:     vdw     (  7.218,  -7.031,  12.201)  (  7.218,  -7.031,  12.201)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (-15.415, -45.825,   3.849)  (-15.412, -45.812,   3.852)  ( 0.02,  0.03,  0.06)
170:     bond    (-12.697, -43.343,   0.901)  (-12.696, -43.331,   0.901)  ( 0.01,  0.03,  0.02)
170:     angle   (  3.867,  -1.050,   4.033)  (  3.869,  -1.050,   4.035)  ( 0.07,  0.02,  0.05)
170:     torsion (  0.147,  -0.013,   1.444)  (  0.147,  -0.013,   1.445)  ( 0.00,  0.00,  0.05)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -6.732,  -1.418,  -2.528)  ( -6.732,  -1.418,  -2.528)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (-15.654,  19.646,  41.522)  (-15.650,  19.651,  41.533)  ( 0.02,  0.02,  0.03)
170:     bond    (-12.853,  20.568,  38.148)  (-12.852,  20.570,  38.158)  ( 0.01,  0.01,  0.03)
170:     angle   (  3.943,  -2.997,   2.943)  (  3.946,  -2.995,   2.944)  ( 0.06,  0.05,  0.02)
170:     torsion (  0.102,  -0.850,   0.492)  (  0.102,  -0.850,   0.492)  ( 0.00,  0.04,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -6.846,   2.925,  -0.061)  ( -6.846,   2.925,  -0.061)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (-25.346,  18.925, -33.125)  (-25.341,  18.930, -33.115)  ( 0.02,  0.03,  0.03)
170:     bond    (-18.667,  18.966, -32.631)  (-18.664,  18.968, -32.623)  ( 0.01,  0.01,  0.03)
170:     angle   (  3.528,   0.851,  -1.525)  (  3.530,   0.852,  -1.524)  ( 0.06,  0.14,  0.06)
170:     torsion (  0.000,  -0.208,  -0.121)  (  0.000,  -0.208,  -0.121)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.207,  -0.683,   1.153)  (-10.207,  -0.683,   1.153)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 6 # gradients 
170: ok 7 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (-124.901, 251.533, -128.003)  (-124.865, 251.566, -127.974)  ( 0.03,  0.01,  0.02)
170:     bond    (-241.892, 155.872, -136.876)  (-241.868, 155.893, -136.855)  ( 0.01,  0.01,  0.02)
170:     angle   ( 70.553,  74.197,  -4.267)  ( 70.564,  74.208,  -4.258)  ( 0.02,  0.02,  0.22)
170:     torsion ( -4.351,   0.235,   7.936)  ( -4.351,   0.234,   7.936)  ( 0.01,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 50.789,  21.230,   5.204)  ( 50.790,  21.230,   5.204)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (103.796, -158.227,  60.957)  (103.798, -158.154,  61.078)  ( 0.00,  0.05,  0.20)
170:     bond    (177.662, -154.078, 115.966)  (177.695, -154.065, 115.971)  ( 0.02,  0.01,  0.00)
170:     angle   (-79.371,   2.427, -37.672)  (-79.369,   2.439, -37.667)  ( 0.00,  0.49,  0.01)
170:     torsion (  5.287,  -6.260, -16.624)  (  5.287,  -6.260, -16.625)  ( 0.00,  0.00,  0.00)
170:     oop     (  0.219,  -0.317,  -0.712)  (  0.185,  -0.268,  -0.601)  ( 0.74,  1.57,  7.93)
170:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       ( 21.862, -52.031, -15.008)  ( 21.866, -52.018, -15.006)  ( 0.02,  0.03,  0.02)
170:     bond    ( -1.880, -40.652,  -7.746)  ( -1.881, -40.638,  -7.745)  ( 0.01,  0.03,  0.00)
170:     angle   (-29.923,   3.090,  -8.952)  (-29.920,   3.090,  -8.950)  ( 0.01,  0.00,  0.03)
170:     torsion (  2.863,   0.677,  -4.249)  (  2.863,   0.677,  -4.249)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 50.802, -15.147,   5.939)  ( 50.803, -15.147,   5.938)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       ( 43.159,  11.809,  -5.068)  ( 43.170,  11.813,  -5.064)  ( 0.03,  0.03,  0.08)
170:     bond    ( 36.898,  15.124, -16.150)  ( 36.908,  15.126, -16.149)  ( 0.03,  0.01,  0.01)
170:     angle   (  6.027,  -6.123,   8.042)  (  6.028,  -6.120,   8.044)  ( 0.02,  0.04,  0.03)
170:     torsion (  0.162,   2.832,   3.024)  (  0.162,   2.831,   3.023)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.072,  -0.024,   0.017)  (  0.072,  -0.024,   0.017)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (  0.303,  -0.949,  47.273)  (  0.306,  -0.946,  47.286)  ( 0.08,  0.24,  0.03)
170:     bond    ( -0.494,   7.245,  42.986)  ( -0.494,   7.245,  42.999)  ( 0.01,  0.00,  0.03)
170:     angle   ( -1.773,  -6.965,   1.153)  ( -1.770,  -6.962,   1.153)  ( 0.17,  0.04,  0.01)
170:     torsion ( -1.143,  -1.515,   0.242)  ( -1.143,  -1.515,   0.242)  ( 0.01,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  3.713,   0.287,   2.892)  (  3.714,   0.287,   2.892)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       ( 88.097, -104.739,  97.655)  ( 88.280, -104.887,  97.246)  ( 0.21,  0.14,  0.42)
170:     bond    ( 21.237, -20.013,  15.611)  ( 21.279, -19.990,  15.619)  ( 0.20,  0.12,  0.06)
170:     angle   (101.256, -103.551,  78.175)  (101.266, -103.532,  78.178)  ( 0.01,  0.02,  0.00)
170:     torsion ( -2.958,   4.240,  10.109)  ( -2.958,   4.240,  10.110)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.747,   1.091,   2.439)  ( -0.616,   0.902,   2.017)  ( 9.75, 17.37, 17.30)
170:     vdw     (-30.691,  13.494,  -8.679)  (-30.690,  13.494,  -8.679)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       ( 39.508,  46.688,  -7.338)  ( 39.476,  46.782,  -7.144)  ( 0.08,  0.20,  2.64)
170:     bond    (  9.695,  -4.494,   4.946)  (  9.718,  -4.489,   4.951)  ( 0.24,  0.11,  0.12)
170:     angle   ( 30.142,  50.853, -13.053)  ( 30.144,  50.859, -13.052)  ( 0.01,  0.01,  0.00)
170:     torsion ( -0.506,   0.733,   1.657)  ( -0.506,   0.733,   1.657)  ( 0.00,  0.00,  0.02)
170:     oop     (  0.263,  -0.386,  -0.867)  (  0.206,  -0.303,  -0.679)  ( 1.49,  3.22, 16.24)
170:     vdw     ( -0.086,  -0.018,  -0.021)  ( -0.086,  -0.018,  -0.021)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (-171.999,   5.773, -50.556)  (-172.031,   5.844, -50.423)  ( 0.02,  1.23,  0.26)
170:     bond    ( -1.356,  40.905, -18.794)  ( -1.356,  40.918, -18.791)  ( 0.02,  0.03,  0.01)
170:     angle   (-96.949, -13.982, -23.449)  (-96.944, -13.981, -23.448)  ( 0.01,  0.00,  0.00)
170:     torsion (  0.647,  -0.940,  -2.094)  (  0.647,  -0.940,  -2.094)  ( 0.00,  0.01,  0.01)
170:     oop     (  0.265,  -0.389,  -0.867)  (  0.225,  -0.331,  -0.737)  ( 1.04,  2.27, 11.28)
170:     vdw     (-74.605, -19.821,  -5.352)  (-74.603, -19.821,  -5.352)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 8 # gradients 
170: ok 9 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       ( 79.151, -113.281, 196.799)  ( 74.305, -106.332, 184.856)  ( 6.12,  6.13,  6.07)
170:     bond    (101.517, -143.650, 249.265)  (101.546, -143.623, 249.282)  ( 0.03,  0.02,  0.01)
170:     angle   (-32.943,  45.373, -78.416)  (-32.934,  45.383, -78.405)  ( 0.03,  0.02,  0.01)
170:     torsion ( -0.022,  -0.007,  -0.017)  ( -0.021,  -0.007,  -0.016)  ( 0.00,  0.00,  0.00)
170:     oop     ( 10.599, -14.997,  25.967)  (  5.714,  -8.085,  13.995)  (46.09, 46.09, 46.10)
170:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (-197.774,  -4.633,   7.852)  (-197.736,  -7.194,  12.372)  ( 0.02, 55.28, 57.56)
170:     bond    (-220.390,  -0.005,   0.000)  (-220.363,   0.015,   0.020)  ( 0.01,  0.01,  0.00)
170:     angle   ( -0.050, -17.052,  29.460)  ( -0.039, -17.041,  29.469)  ( 0.05,  0.06,  0.03)
170:     torsion (  0.000,   0.010,  -0.003)  (  0.000,   0.009,  -0.004)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,   5.624,  -9.738)  (  0.000,   3.032,  -5.248)  ( 0.00, 46.09, 46.11)
170:     vdw     ( 22.666,   6.790, -11.866)  ( 22.666,   6.791, -11.866)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       ( 35.790, 182.731,   7.817)  ( 38.267, 181.903,  12.337)  ( 6.92,  0.45, 57.83)
170:     bond    ( 73.413, 207.701,  -0.104)  ( 73.434, 207.728,  -0.084)  ( 0.03,  0.01,  0.21)
170:     angle   ( 16.533,  -6.005,  29.483)  ( 16.544,  -5.994,  29.492)  ( 0.07,  0.18,  0.03)
170:     torsion (  0.009,  -0.004,   0.023)  (  0.010,  -0.003,   0.023)  ( 0.00,  0.00,  0.00)
170:     oop     ( -5.302,   1.878,  -9.738)  ( -2.858,   1.012,  -5.248)  (46.09, 46.09, 46.11)
170:     vdw     (-48.863, -20.839, -11.847)  (-48.862, -20.839, -11.847)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       ( 34.911, -98.106, -154.854)  ( 37.386, -101.529, -151.827)  ( 7.09,  3.49,  1.95)
170:     bond    ( 73.430, -103.943, -180.098)  ( 73.451, -103.921, -180.073)  ( 0.03,  0.02,  0.01)
170:     angle   ( 16.165, -22.410,  19.547)  ( 16.176, -22.400,  19.557)  ( 0.07,  0.05,  0.05)
170:     torsion ( -0.002,   0.009,  -0.006)  ( -0.001,   0.009,  -0.006)  ( 0.00,  0.00,  0.00)
170:     oop     ( -5.297,   7.495,  -6.490)  ( -2.855,   4.040,  -3.498)  (46.10, 46.10, 46.10)
170:     vdw     (-49.386,  20.743,  12.193)  (-49.385,  20.743,  12.193)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       ( 31.635,  91.501,   0.054)  ( 31.641,  91.514,   0.056)  ( 0.02,  0.01,  0.01)
170:     bond    (-28.294,  79.889,  -0.000)  (-28.292,  79.901,   0.000)  ( 0.01,  0.02,  0.00)
170:     angle   ( -0.323,  -0.114,  -0.029)  ( -0.320,  -0.113,  -0.027)  ( 0.10,  0.00,  0.01)
170:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 60.252,  11.726,   0.085)  ( 60.254,  11.726,   0.085)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (-28.211, -39.950,  69.376)  (-28.206, -39.946,  69.386)  ( 0.02,  0.01,  0.01)
170:     bond    (-28.241, -39.967,  69.197)  (-28.239, -39.964,  69.207)  ( 0.01,  0.01,  0.01)
170:     angle   (  0.129,   0.063,   0.091)  (  0.132,   0.065,   0.091)  ( 0.04,  0.01,  0.01)
170:     torsion ( -0.000,   0.004,   0.002)  (  0.000,   0.004,   0.002)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.100,  -0.050,   0.086)  ( -0.100,  -0.050,   0.086)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       ( 32.891, -45.899, -79.600)  ( 32.897, -45.895, -79.590)  ( 0.02,  0.01,  0.01)
170:     bond    (-28.228, -39.956, -69.236)  (-28.226, -39.952, -69.227)  ( 0.01,  0.01,  0.01)
170:     angle   (  0.224,   0.070,  -0.135)  (  0.227,   0.072,  -0.134)  ( 0.07,  0.01,  0.01)
170:     torsion ( -0.000,  -0.006,   0.004)  (  0.000,  -0.006,   0.004)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 60.894,  -6.008, -10.233)  ( 60.896,  -6.008, -10.233)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       ( 81.326,  -9.585,  -5.836)  ( 81.340,  -9.581,  -5.834)  ( 0.02,  0.04,  0.04)
170:     bond    ( 84.815,  -0.000,  -0.000)  ( 84.828,   0.000,   0.000)  ( 0.02,  0.00,  0.00)
170:     angle   (  0.000,   0.398,  -0.043)  (  0.000,   0.401,  -0.041)  ( 0.00,  0.13,  0.01)
170:     torsion ( -0.000,  -0.000,  -0.002)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.488,  -9.982,  -5.791)  ( -3.488,  -9.982,  -5.791)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (-38.408,  31.439,  64.243)  (-38.403,  31.445,  64.253)  ( 0.01,  0.02,  0.02)
170:     bond    (-28.241,  39.961,  69.197)  (-28.239,  39.964,  69.207)  ( 0.01,  0.01,  0.01)
170:     angle   (  0.071,  -0.115,   0.094)  (  0.073,  -0.112,   0.095)  ( 0.01,  0.03,  0.01)
170:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.238,  -8.406,  -5.048)  (-10.238,  -8.406,  -5.048)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (-37.054,  19.007, -66.658)  (-37.049,  19.013, -66.648)  ( 0.01,  0.03,  0.02)
170:     bond    (-28.186,  39.882, -69.132)  (-28.184,  39.885, -69.123)  ( 0.01,  0.01,  0.01)
170:     angle   (  0.061,  -0.204,  -0.143)  (  0.063,  -0.202,  -0.142)  ( 0.01,  0.05,  0.01)
170:     torsion (  0.007,  -0.002,  -0.004)  (  0.007,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.936, -20.668,   2.621)  ( -8.936, -20.668,   2.621)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       ( 81.329,   9.798,   5.419)  ( 81.343,   9.801,   5.423)  ( 0.02,  0.03,  0.06)
170:     bond    ( 84.815,  -0.023,  -0.045)  ( 84.829,  -0.022,  -0.045)  ( 0.02,  0.00,  0.00)
170:     angle   ( -0.000,  -0.204,  -0.290)  ( -0.000,  -0.202,  -0.287)  ( 0.00,  0.04,  0.09)
170:     torsion ( -0.000,   0.008,  -0.005)  ( -0.000,   0.008,  -0.005)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.486,  10.017,   5.759)  ( -3.486,  10.017,   5.759)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (-37.251,  48.145, -49.889)  (-37.247,  48.151, -49.878)  ( 0.01,  0.01,  0.02)
170:     bond    (-28.274,  39.959, -69.218)  (-28.273,  39.962, -69.209)  ( 0.01,  0.01,  0.01)
170:     angle   (  0.045,   0.152,   0.069)  (  0.047,   0.154,   0.070)  ( 0.01,  0.03,  0.01)
170:     torsion ( -0.009,  -0.006,   0.000)  ( -0.009,  -0.006,   0.000)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -9.013,   8.040,  19.260)  ( -9.013,   8.040,  19.261)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (-38.542, -71.364,   5.090)  (-38.538, -71.351,   5.094)  ( 0.01,  0.02,  0.07)
170:     bond    (-28.276, -79.984,   0.044)  (-28.274, -79.972,   0.045)  ( 0.01,  0.02,  0.00)
170:     angle   (  0.029,  -0.011,   0.258)  (  0.031,  -0.011,   0.261)  ( 0.01,  0.00,  0.08)
170:     torsion (  0.014,  -0.005,   0.009)  (  0.014,  -0.005,   0.009)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.309,   8.636,   4.779)  (-10.308,   8.636,   4.779)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 10 # gradients 
170: ok 11 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (-459.477, 649.250, -1124.640)  (-425.030, 600.544, -1040.261)  ( 7.50,  7.50,  7.50)
170:     bond    (-267.083, 377.923, -654.760)  (-267.073, 377.932, -654.759)  ( 0.00,  0.00,  0.00)
170:     angle   (-117.641, 165.638, -286.837)  (-117.636, 165.643, -286.831)  ( 0.00,  0.00,  0.00)
170:     torsion ( -0.050,  -0.016,  -0.038)  ( -0.049,  -0.016,  -0.038)  ( 0.00,  0.00,  0.00)
170:     oop     (-74.704, 105.704, -183.005)  (-40.272,  56.984, -98.633)  (46.09, 46.09, 46.10)
170:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (909.379, -95.010, 164.381)  (909.405, -76.714, 132.762)  ( 0.00, 19.26, 19.24)
170:     bond    (886.759,  -0.001,   0.004)  (886.777,   0.015,   0.020)  ( 0.00,  0.00,  0.01)
170:     angle   ( -0.046, -62.174, 107.620)  ( -0.038, -62.166, 107.627)  ( 0.04,  0.01,  0.01)
170:     torsion (  0.000,   0.022,  -0.008)  (  0.000,   0.022,  -0.009)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000, -39.647,  68.632)  (  0.000, -21.376,  36.989)  ( 0.00, 46.09, 46.11)
170:     vdw     ( 22.666,   6.790, -11.866)  ( 22.666,   6.791, -11.866)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (-248.852, -890.906, 164.380)  (-266.049, -884.780, 132.762)  ( 6.91,  0.69, 19.24)
170:     bond    (-296.159, -835.902,  -0.100)  (-296.142, -835.885,  -0.084)  ( 0.01,  0.00,  0.16)
170:     angle   ( 58.775, -20.921, 107.642)  ( 58.783, -20.913, 107.649)  ( 0.01,  0.04,  0.01)
170:     torsion (  0.022,  -0.008,   0.053)  (  0.023,  -0.008,   0.053)  ( 0.00,  0.00,  0.00)
170:     oop     ( 37.373, -13.235,  68.633)  ( 20.150,  -7.136,  36.989)  (46.09, 46.09, 46.11)
170:     vdw     (-48.863, -20.839, -11.847)  (-48.862, -20.839, -11.847)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       (-249.014, 303.413, 853.488)  (-266.195, 327.787, 832.430)  ( 6.90,  8.03,  2.47)
170:     bond    (-295.509, 418.119, 723.951)  (-295.493, 418.136, 723.968)  ( 0.01,  0.00,  0.00)
170:     angle   ( 58.556, -82.647,  71.621)  ( 58.564, -82.640,  71.629)  ( 0.01,  0.01,  0.01)
170:     torsion ( -0.004,   0.020,  -0.014)  ( -0.003,   0.021,  -0.013)  ( 0.00,  0.00,  0.00)
170:     oop     ( 37.330, -52.822,  45.737)  ( 20.122, -28.473,  24.654)  (46.10, 46.10, 46.10)
170:     vdw     (-49.386,  20.743,  12.193)  (-49.385,  20.743,  12.193)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       ( 31.733,  91.536,   0.053)  ( 31.739,  91.548,   0.054)  ( 0.02,  0.01,  0.01)
170:     bond    (-28.294,  79.889,  -0.000)  (-28.292,  79.901,   0.000)  ( 0.01,  0.02,  0.00)
170:     angle   ( -0.225,  -0.079,  -0.029)  ( -0.223,  -0.079,  -0.027)  ( 0.05,  0.00,  0.01)
170:     torsion ( -0.000,  -0.000,  -0.003)  (  0.000,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 60.252,  11.726,   0.085)  ( 60.254,  11.726,   0.085)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (-28.241, -39.940,  69.370)  (-28.237, -39.935,  69.380)  ( 0.01,  0.01,  0.01)
170:     bond    (-28.241, -39.967,  69.197)  (-28.239, -39.964,  69.207)  ( 0.01,  0.01,  0.01)
170:     angle   (  0.099,   0.069,   0.081)  (  0.101,   0.070,   0.082)  ( 0.02,  0.01,  0.01)
170:     torsion ( -0.000,   0.009,   0.005)  (  0.000,   0.009,   0.005)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.100,  -0.050,   0.086)  ( -0.100,  -0.050,   0.086)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       ( 32.824, -45.896, -79.574)  ( 32.829, -45.891, -79.564)  ( 0.02,  0.01,  0.01)
170:     bond    (-28.228, -39.956, -69.236)  (-28.226, -39.952, -69.227)  ( 0.01,  0.01,  0.01)
170:     angle   (  0.157,   0.082,  -0.114)  (  0.159,   0.084,  -0.113)  ( 0.03,  0.01,  0.01)
170:     torsion ( -0.000,  -0.015,   0.009)  (  0.000,  -0.015,   0.009)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 60.894,  -6.008, -10.233)  ( 60.896,  -6.008, -10.233)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       ( 81.326,  -9.696,  -5.838)  ( 81.340,  -9.693,  -5.836)  ( 0.02,  0.03,  0.05)
170:     bond    ( 84.815,  -0.000,  -0.000)  ( 84.828,   0.000,   0.000)  ( 0.02,  0.00,  0.00)
170:     angle   ( -0.000,   0.286,  -0.043)  (  0.000,   0.289,  -0.041)  ( 0.00,  0.07,  0.01)
170:     torsion ( -0.000,  -0.000,  -0.004)  (  0.000,   0.000,  -0.003)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.488,  -9.982,  -5.791)  ( -3.488,  -9.982,  -5.791)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (-38.399,  31.454,  64.238)  (-38.395,  31.459,  64.249)  ( 0.01,  0.02,  0.02)
170:     bond    (-28.241,  39.961,  69.197)  (-28.239,  39.964,  69.207)  ( 0.01,  0.01,  0.01)
170:     angle   (  0.079,  -0.100,   0.089)  (  0.081,  -0.098,   0.090)  ( 0.01,  0.02,  0.01)
170:     torsion (  0.000,  -0.000,   0.000)  (  0.001,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.238,  -8.406,  -5.048)  (-10.238,  -8.406,  -5.048)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (-37.018,  19.050, -66.648)  (-37.014,  19.056, -66.638)  ( 0.01,  0.03,  0.02)
170:     bond    (-28.186,  39.882, -69.132)  (-28.184,  39.885, -69.123)  ( 0.01,  0.01,  0.01)
170:     angle   (  0.088,  -0.157,  -0.127)  (  0.090,  -0.155,  -0.126)  ( 0.02,  0.03,  0.01)
170:     torsion (  0.016,  -0.006,  -0.010)  (  0.016,  -0.006,  -0.010)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.936, -20.668,   2.621)  ( -8.936, -20.668,   2.621)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       ( 81.329,   9.860,   5.501)  ( 81.343,   9.863,   5.504)  ( 0.02,  0.03,  0.05)
170:     bond    ( 84.815,  -0.023,  -0.045)  ( 84.829,  -0.022,  -0.045)  ( 0.02,  0.00,  0.00)
170:     angle   ( -0.000,  -0.153,  -0.202)  ( -0.000,  -0.151,  -0.199)  ( 0.00,  0.03,  0.05)
170:     torsion ( -0.000,   0.019,  -0.011)  ( -0.000,   0.019,  -0.011)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.486,  10.017,   5.759)  ( -3.486,  10.017,   5.759)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (-37.250,  48.120, -49.904)  (-37.246,  48.125, -49.894)  ( 0.01,  0.01,  0.02)
170:     bond    (-28.274,  39.959, -69.218)  (-28.273,  39.962, -69.209)  ( 0.01,  0.01,  0.01)
170:     angle   (  0.058,   0.135,   0.054)  (  0.059,   0.137,   0.055)  ( 0.01,  0.02,  0.00)
170:     torsion ( -0.020,  -0.014,   0.000)  ( -0.020,  -0.014,   0.000)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -9.013,   8.040,  19.260)  ( -9.013,   8.040,  19.261)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (-38.494, -71.381,   5.049)  (-38.490, -71.368,   5.051)  ( 0.01,  0.02,  0.05)
170:     bond    (-28.276, -79.984,   0.044)  (-28.274, -79.972,   0.045)  ( 0.01,  0.02,  0.00)
170:     angle   (  0.058,  -0.021,   0.205)  (  0.060,  -0.021,   0.207)  ( 0.01,  0.00,  0.05)
170:     torsion (  0.033,  -0.012,   0.020)  (  0.033,  -0.012,   0.020)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.309,   8.636,   4.779)  (-10.308,   8.636,   4.779)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 12 # gradients 
170: ok 13 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (-23.613,  -2.210,   2.937)  (-23.569,  -2.180,   2.984)  ( 0.18,  1.36,  1.58)
170:     bond    ( 37.054, -12.937,  -8.013)  ( 37.079, -12.911,  -8.009)  ( 0.07,  0.20,  0.05)
170:     angle   (  8.962,  10.378,   2.516)  (  8.976,  10.387,   2.517)  ( 0.16,  0.08,  0.05)
170:     torsion (  0.413,  -0.973,   2.161)  (  0.413,  -0.970,   2.180)  ( 0.01,  0.23,  0.87)
170:     oop     ( -0.012,   0.041,  -0.132)  ( -0.010,   0.035,  -0.109)  ( 0.00,  0.03,  0.30)
170:     vdw     (-70.030,   1.280,   6.405)  (-70.028,   1.279,   6.405)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (  5.393,  18.793,  11.158)  (  5.423,  18.875,  11.055)  ( 0.56,  0.44,  0.92)
170:     bond    ( 33.675, -25.493, -10.735)  ( 33.703, -25.470, -10.732)  ( 0.08,  0.09,  0.03)
170:     angle   (  5.674, -17.005,  -6.268)  (  5.685, -16.993,  -6.267)  ( 0.19,  0.07,  0.03)
170:     torsion ( -0.145,  -0.448,   2.063)  ( -0.145,  -0.446,   2.082)  ( 0.00,  0.09,  0.93)
170:     oop     (  0.056,  -0.262,   0.769)  (  0.047,  -0.218,   0.643)  ( 0.05,  1.13,  9.71)
170:     vdw     (-33.868,  62.001,  25.328)  (-33.867,  62.002,  25.328)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (  1.940,  56.571,  23.255)  (  1.997,  56.545,  23.470)  ( 2.94,  0.05,  0.92)
170:     bond    (-19.349, -52.993, -17.882)  (-19.321, -52.969, -17.878)  ( 0.14,  0.04,  0.02)
170:     angle   ( 19.610,  45.310,  15.043)  ( 19.622,  45.322,  15.044)  ( 0.06,  0.03,  0.01)
170:     torsion (  0.402,  -8.286,  20.372)  (  0.402,  -8.283,  20.392)  ( 0.01,  0.03,  0.10)
170:     oop     ( -0.091,   0.393,  -1.144)  ( -0.076,   0.328,  -0.954)  ( 0.14,  2.57, 16.66)
170:     vdw     (  1.369,  72.147,   6.866)  (  1.370,  72.148,   6.866)  ( 0.11,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       (-27.138,  -3.592, -19.127)  (-27.058,  -4.344, -18.348)  ( 0.30, 20.92,  4.08)
170:     bond    (-50.594,  14.579,   8.252)  (-50.560,  14.605,   8.256)  ( 0.07,  0.18,  0.05)
170:     angle   (-30.588, -25.587,  20.635)  (-30.571, -25.572,  20.639)  ( 0.06,  0.06,  0.02)
170:     torsion ( -1.996,  13.629, -22.256)  ( -1.996,  13.632, -22.238)  ( 0.00,  0.02,  0.08)
170:     oop     ( -0.149,   3.849,  -3.856)  ( -0.122,   3.053,  -3.103)  ( 0.41, 20.67, 19.52)
170:     vdw     ( 56.189, -10.062, -21.902)  ( 56.191, -10.062, -21.902)  ( 0.00,  0.00,  0.00)
171: # Testing molecular formal charges...
171: ok 1
171: 1..1
 97/208 Test  #16: test_builder_2 ...................   Passed    0.50 sec
 98/208 Test  #58: test_gzip_1 ......................   Passed    0.43 sec
 99/208 Test  #87: test_shuffle_1 ...................   Passed    0.37 sec
100/208 Test  #89: test_shuffle_3 ...................   Passed    0.36 sec
101/208 Test  #91: test_shuffle_5 ...................   Passed    0.36 sec
102/208 Test #110: test_stereo_6 ....................   Passed    0.32 sec
103/208 Test #111: test_stereoperception_1 ..........   Passed    0.32 sec
104/208 Test #112: test_stereoperception_2 ..........   Passed    0.31 sec
105/208 Test #113: test_stereoperception_3 ..........   Passed    0.31 sec
106/208 Test #114: test_stereoperception_4 ..........   Passed    0.31 sec
107/208 Test #115: test_tautomer_1 ..................   Passed    0.31 sec
108/208 Test #116: test_tautomer_2 ..................   Passed    0.31 sec
109/208 Test #117: test_tautomer_3 ..................   Passed    0.30 sec
110/208 Test #118: test_tautomer_4 ..................   Passed    0.30 sec
111/208 Test #119: test_tautomer_5 ..................   Passed    0.30 sec
112/208 Test #120: test_tautomer_6 ..................   Passed    0.29 sec
113/208 Test #121: test_tautomer_7 ..................   Passed    0.28 sec
114/208 Test #122: test_tautomer_8 ..................   Passed    0.28 sec
115/208 Test #123: test_tautomer_9 ..................   Passed    0.28 sec
116/208 Test #124: test_tautomer_10 .................   Passed    0.28 sec
117/208 Test #125: test_tautomer_11 .................   Passed    0.28 sec
118/208 Test #126: test_tautomer_12 .................   Passed    0.27 sec
119/208 Test #127: test_tautomer_13 .................   Passed    0.27 sec
120/208 Test #128: test_tautomer_14 .................   Passed    0.27 sec
121/208 Test #129: test_tautomer_15 .................   Passed    0.27 sec
122/208 Test #130: test_tautomer_16 .................   Passed    0.27 sec
123/208 Test #131: test_tautomer_17 .................   Passed    0.26 sec
124/208 Test #132: test_tautomer_18 .................   Passed    0.26 sec
125/208 Test #133: test_tautomer_19 .................   Passed    0.26 sec
126/208 Test #134: test_tautomer_20 .................   Passed    0.26 sec
127/208 Test #135: test_tautomer_21 .................   Passed    0.26 sec
128/208 Test #136: test_tautomer_22 .................   Passed    0.26 sec
129/208 Test #137: test_tautomer_23 .................   Passed    0.25 sec
130/208 Test #138: test_tautomer_24 .................   Passed    0.25 sec
131/208 Test #139: test_tautomer_25 .................   Passed    0.25 sec
132/208 Test #140: test_tautomer_26 .................   Passed    0.25 sec
133/208 Test #141: test_tautomer_27 .................   Passed    0.25 sec
134/208 Test #142: test_tautomer_28 .................   Passed    0.24 sec
135/208 Test #143: test_tetrahedral_1 ...............   Passed    0.24 sec
136/208 Test #144: test_tetrahedral_2 ...............   Passed    0.24 sec
137/208 Test #145: test_tetrahedral_3 ...............   Passed    0.24 sec
138/208 Test #146: test_tetrahedral_4 ...............   Passed    0.24 sec
139/208 Test #147: test_tetrahedral_5 ...............   Passed    0.23 sec
140/208 Test #148: test_tetranonplanar_1 ............   Passed    0.23 sec
141/208 Test #149: test_tetraplanar_1 ...............   Passed    0.23 sec
142/208 Test #150: test_uniqueid_1 ..................   Passed    0.23 sec
143/208 Test #151: test_uniqueid_2 ..................   Passed    0.23 sec
144/208 Test #152: test_aromatest_1 .................   Passed    0.22 sec
145/208 Test #153: test_atom_1 ......................   Passed    0.22 sec
146/208 Test #154: test_atom_2 ......................   Passed    0.22 sec
147/208 Test #155: test_atom_3 ......................   Passed    0.22 sec
148/208 Test #156: test_atom_4 ......................   Passed    0.21 sec
149/208 Test #157: test_bond_1 ......................   Passed    0.21 sec
150/208 Test #161: test_datatest_1 ..................   Passed    0.20 sec
151/208 Test #169: test_ffmmff94_6 ..................   Passed    0.18 sec
test 175
        Start 175: test_invalidsmarts_1
175: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "invalidsmarts" "1"
175: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
175: Environment variables: 
175:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
175:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
175: Test timeout computed to be: 1500
test 176
        Start 176: test_invalidsmiles_1
176: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "invalidsmiles" "1"
176: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
176: Environment variables: 
176:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
176:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
176: Test timeout computed to be: 1500
test 177
        Start 177: test_iterators_1
177: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "iterators" "1"
177: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
177: Environment variables: 
177:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
177:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
177: Test timeout computed to be: 1500
test 178
        Start 178: test_logp_psa_1
178: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "logp_psa" "1"
178: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
178: Environment variables: 
178:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
178:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
178: Test timeout computed to be: 1500
test 179
        Start 179: test_math_1
179: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "math" "1"
179: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
179: Environment variables: 
179:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
179:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
179: Test timeout computed to be: 1500
test 180
        Start 180: test_math_2
180: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "math" "2"
180: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
180: Environment variables: 
180:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
180:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
180: Test timeout computed to be: 1500
test 181
        Start 181: test_math_3
181: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "math" "3"
181: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
181: Environment variables: 
181:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
181:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
181: Test timeout computed to be: 1500
test 182
        Start 182: test_math_4
182: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "math" "4"
182: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
182: Environment variables: 
182:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
182:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
182: Test timeout computed to be: 1500
test 183
        Start 183: test_mol_1
183: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "mol" "1"
183: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
183: Environment variables: 
183:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
183:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
183: Test timeout computed to be: 1500
test 184
        Start 184: test_pdbreadfile_1
184: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "pdbreadfile" "1"
184: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
184: Environment variables: 
184:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
184:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
184: Test timeout computed to be: 1500
test 185
        Start 185: test_pdbreadfile_2
185: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "pdbreadfile" "2"
185: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
185: Environment variables: 
185:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
185:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
185: Test timeout computed to be: 1500
test 186
        Start 186: test_pdbreadfile_3
186: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "pdbreadfile" "3"
186: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
186: Environment variables: 
186:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
186:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
186: Test timeout computed to be: 1500
test 187
        Start 187: test_pdbreadfile_4
187: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "pdbreadfile" "4"
187: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
187: Environment variables: 
187:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
187:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
187: Test timeout computed to be: 1500
test 188
        Start 188: test_phmodel_1
188: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "phmodel" "1"
188: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
188: Environment variables: 
188:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
188:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
188: Test timeout computed to be: 1500
test 189
        Start 189: test_residue_1
189: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "residue" "1"
189: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
189: Environment variables: 
189:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
189:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
189: Test timeout computed to be: 1500
test 190
        Start 190: test_ringtest_1
190: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "ringtest" "1"
190: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
190: Environment variables: 
190:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
190:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
190: Test timeout computed to be: 1500
test 191
        Start 191: test_smartstest_1
191: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "smartstest" "1"
191: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
191: Environment variables: 
191:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
191:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
191: Test timeout computed to be: 1500
test 192
        Start 192: test_smartsparse_1
192: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "smartsparse" "1"
192: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
192: Environment variables: 
192:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
192:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
192: Test timeout computed to be: 1500
test 193
        Start 193: test_smilesmatch_1
193: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "smilesmatch" "1"
193: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
193: Environment variables: 
193:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
193:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
193: Test timeout computed to be: 1500
test 194
        Start 194: test_unitcell_1
194: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "unitcell" "1"
194: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
194: Environment variables: 
194:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
194:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
194: Test timeout computed to be: 1500
test 195
        Start 195: test_cmlreadfile_1
195: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_runner "cmlreadfile" "1"
195: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
195: Environment variables: 
195:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
195:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
195: Test timeout computed to be: 1500
test 196
        Start 196: inchiSamples.sdf_Test
196: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_inchiwrite "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/Samples.sdf" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/Samples.sdf.txt"
196: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
196: Environment variables: 
196:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
196:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
196: Test timeout computed to be: 1500
test 197
        Start 197: inchiSamplesTechMan.sdf_Test
197: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/bin/test_inchiwrite "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/SamplesTechMan.sdf" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/SamplesTechMan.sdf.txt"
197: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
197: Environment variables: 
197:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
197:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64:
197: Test timeout computed to be: 1500
test 198
        Start 198: pytest_babel
198: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test/pytest_babel.cmake"
198: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
198: Test timeout computed to be: 1500
test 199
        Start 199: pytest_smartssym
199: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test/pytest_smartssym.cmake"
199: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
199: Test timeout computed to be: 1500
test 200
        Start 200: pytest_fastsearch
200: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test/pytest_fastsearch.cmake"
200: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
200: Test timeout computed to be: 1500
test 201
        Start 201: pytest_unique
201: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test/pytest_unique.cmake"
201: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
201: Test timeout computed to be: 1500
test 202
        Start 202: pytest_kekule
202: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test/pytest_kekule.cmake"
202: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
202: Test timeout computed to be: 1500
test 203
        Start 203: pytest_pdbformat
203: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test/pytest_pdbformat.cmake"
203: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
203: Test timeout computed to be: 1500
test 204
        Start 204: pybindtest__pybel
204: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test/pybindtest__pybel.cmake"
204: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
204: Test timeout computed to be: 1500
test 205
        Start 205: pybindtest_example
205: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test/pybindtest_example.cmake"
205: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
205: Test timeout computed to be: 1500
test 206
        Start 206: pybindtest_cdjsonformat
206: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test/pybindtest_cdjsonformat.cmake"
206: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
206: Test timeout computed to be: 1500
test 207
        Start 207: pybindtest_pcjsonformat
207: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test/pybindtest_pcjsonformat.cmake"
207: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
207: Test timeout computed to be: 1500
test 208
        Start 208: pybindtest_roundtrip
208: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test/pybindtest_roundtrip.cmake"
208: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/test
208: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lbx_ipd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lc8_33p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lca_ump.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lcb_tmp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lcw_shm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ld7_u66.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ld8_u49.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ldc_fmn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lde_fpi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ldo_snr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ldy_cxf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lee_r36.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lel_bh7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lev_cli.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lf2_r37.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lf3_eh5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lgt_bp3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lhn_aon.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lhw_esm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1li4_noc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lij_rpp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ljr_gsh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ljt_hdi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lk7_der.sdf
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88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: OC[C@H](O)COP1(=O)O[Pt@]2(N[C@H]3CCCC[C@@H]3N2)O1
88: ref = OC[C@@H](COP1(=O)O[Pt@]2(O1)N[C@@H]1[C@@H](N2)CCCC1)O
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: n1ccc(cc1)C12C[C@H]3C[C@H](C[C@H](C3)C2)C1
88: ref = C1[C@@H]2C[C@@H]3C[C@H]1CC(C2)(C3)c1ccncc1
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: C12=C3C4=C5[C@H]1[Fe]16782345C2=C6C7=C1C82
88: ref = C12C3=C4[Fe]5678923(C1=C45)C1C6=C8C9=C71
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: CC(=O)O.Oc1nc2nc3c(nc2c(N)n1)c1cccc2cccc3c12
88: ref = Oc1nc2nc3-c4cccc5c4c(-c3nc2c(n1)N)ccc5.CC(=O)O
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: stereo/incorrect_canon1.mol
88: ref = CC1CCC2(CC1)CCCCC2
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: stereo/incorrect_canon2.mol
88: ref = C1CCC2C(C1)CC1(C2)CCC1
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
152/208 Test  #88: test_shuffle_2 ...................   Passed    0.48 sec
158: ok 224 # number of heavy atoms match
158: ok 225 # number of heavy atoms match
158: ok 226 # number of heavy atoms match
158: ok 227 # number of heavy atoms match
158: ok 228 # number of heavy atoms match
158: ok 229 # number of heavy atoms match
158: ok 230 # number of heavy atoms match
158: ok 231 # number of heavy atoms match
158: ok 232 # number of heavy atoms match
158: ok 233 # number of heavy atoms match
158: ok 234 # number of heavy atoms match
158: ok 235 # number of heavy atoms match
158: ok 236 # number of heavy atoms match
158: ok 237 # number of heavy atoms match
158: ok 238 # number of heavy atoms match
158: ok 239 # number of heavy atoms match
158: ok 240 # number of heavy atoms match
158: ok 241 # number of heavy atoms match
158: ok 242 # number of heavy atoms match
158: ok 243 # number of heavy atoms match
158: ok 244 # number of heavy atoms match
158: ok 245 # number of heavy atoms match
158: ok 246 # number of heavy atoms match
158: ok 247 # number of heavy atoms match
158: ok 248 # number of heavy atoms match
158: ok 249 # number of heavy atoms match
158: ok 250 # number of heavy atoms match
158: ok 251 # number of heavy atoms match
158: ok 252 # number of heavy atoms match
158: ok 253 # number of heavy atoms match
158: ok 254 # number of heavy atoms match
158: ok 255 # number of heavy atoms match
158: ok 256 # number of heavy atoms match
158: ok 257 # number of heavy atoms match
158: ok 258 # number of heavy atoms match
158: ok 259 # number of heavy atoms match
158: ok 260 # number of heavy atoms match
158: ok 261 # number of heavy atoms match
158: ok 262 # number of heavy atoms match
158: ok 263 # number of heavy atoms match
158: ok 264 # number of heavy atoms match
158: ok 265 # number of heavy atoms match
158: ok 266 # number of heavy atoms match
158: ok 267 # number of heavy atoms match
158: ok 268 # number of heavy atoms match
158: ok 269 # number of heavy atoms match
158: ok 270 # number of heavy atoms match
158: ok 271 # number of heavy atoms match
158: ok 272 # number of heavy atoms match
158: ok 273 # number of heavy atoms match
158: ok 274 # number of heavy atoms match
158: ok 275 # number of heavy atoms match
158: ok 276 # number of heavy atoms match
158: ok 277 # number of heavy atoms match
158: ok 278 # number of heavy atoms match
158: ok 279 # number of heavy atoms match
158: ok 280 # number of heavy atoms match
158: ok 281 # number of heavy atoms match
158: ok 282 # number of heavy atoms match
158: ok 283 # number of heavy atoms match
158: ok 284 # number of heavy atoms match
158: ok 285 # number of heavy atoms match
158: ok 286 # number of heavy atoms match
158: ok 287 # number of heavy atoms match
158: ok 288 # number of heavy atoms match
158: ok 289 # number of heavy atoms match
158: ok 290 # number of heavy atoms match
158: ok 291 # number of heavy atoms match
158: ok 292 # number of heavy atoms match
158: ok 293 # number of heavy atoms match
158: ok 294 # number of heavy atoms match
158: ok 295 # number of heavy atoms match
158: ok 296 # number of heavy atoms match
158: ok 297 # number of heavy atoms match
158: ok 298 # number of heavy atoms match
158: ok 299 # number of heavy atoms match
158: ok 300 # number of heavy atoms match
158: ok 301 # number of heavy atoms match
158: ok 302 # number of heavy atoms match
158: ok 303 # number of heavy atoms match
158: ok 304 # number of heavy atoms match
158: ok 305 # number of heavy atoms match
158: ok 306 # number of heavy atoms match
158: ok 307 # number of heavy atoms match
158: ok 308 # number of heavy atoms match
158: ok 309 # number of heavy atoms match
158: ok 310 # number of heavy atoms match
158: ok 311 # number of heavy atoms match
158: ok 312 # number of heavy atoms match
158: ok 313 # number of heavy atoms match
158: ok 314 # number of heavy atoms match
158: ok 315 # number of heavy atoms match
158: ok 316 # number of heavy atoms match
158: ok 317 # number of heavy atoms match
158: ok 318 # number of heavy atoms match
158: ok 319 # number of heavy atoms match
158: ok 320 # number of heavy atoms match
158: ok 321 # number of heavy atoms match
158: ok 322 # number of heavy atoms match
158: ok 323 # number of heavy atoms match
158: ok 324 # number of heavy atoms match
158: ok 325 # number of heavy atoms match
158: ok 326 # number of heavy atoms match
158: ok 327 # number of heavy atoms match
158: ok 328 # number of heavy atoms match
158: ok 329 # number of heavy atoms match
158: ok 330 # number of heavy atoms match
158: ok 331 # number of heavy atoms match
158: ok 332 # number of heavy atoms match
158: ok 333 # number of heavy atoms match
158: ok 334 # number of heavy atoms match
158: ok 335 # number of heavy atoms match
158: ok 336 # number of heavy atoms match
158: ok 337 # number of heavy atoms match
158: ok 338 # number of heavy atoms match
158: ok 339 # number of heavy atoms match
158: ok 340 # number of heavy atoms match
158: ok 341 # number of heavy atoms match
158: ok 342 # number of heavy atoms match
158: ok 343 # number of heavy atoms match
158: ok 344 # number of heavy atoms match
158: ok 345 # number of heavy atoms match
158: ok 346 # number of heavy atoms match
158: ok 347 # number of heavy atoms match
158: ok 348 # number of heavy atoms match
158: ok 349 # number of heavy atoms match
158: ok 350 # number of heavy atoms match
158: ok 351 # number of heavy atoms match
158: ok 352 # number of heavy atoms match
158: ok 353 # number of heavy atoms match
158: ok 354 # number of heavy atoms match
158: ok 355 # number of heavy atoms match
158: ok 356 # number of heavy atoms match
158: ok 357 # number of heavy atoms match
158: ok 358 # number of heavy atoms match
158: ok 359 # number of heavy atoms match
158: ok 360 # number of heavy atoms match
158: ok 361 # number of heavy atoms match
158: ok 362 # number of heavy atoms match
158: ok 363 # number of heavy atoms match
158: ok 364 # number of heavy atoms match
158: ok 365 # number of heavy atoms match
158: ok 366 # number of heavy atoms match
158: ok 367 # number of heavy atoms match
158: ok 368 # number of heavy atoms match
158: ok 369 # number of heavy atoms match
158: ok 370 # number of heavy atoms match
158: ok 371 # number of heavy atoms match
158: ok 372 # number of heavy atoms match
158: ok 373 # number of heavy atoms match
158: ok 374 # number of heavy atoms match
158: ok 375 # number of heavy atoms match
158: ok 376 # number of heavy atoms match
158: ok 377 # number of heavy atoms match
158: ok 378 # number of heavy atoms match
158: ok 379 # number of heavy atoms match
158: ok 380 # number of heavy atoms match
158: ok 381 # number of heavy atoms match
158: ok 382 # number of heavy atoms match
158: ok 383 # number of heavy atoms match
158: ok 384 # number of heavy atoms match
158: ok 385 # number of heavy atoms match
158: ok 386 # number of heavy atoms match
158: ok 387 # number of heavy atoms match
158: ok 388 # number of heavy atoms match
158: ok 389 # number of heavy atoms match
158: ok 390 # number of heavy atoms match
158: ok 391 # number of heavy atoms match
158: ok 392 # number of heavy atoms match
158: ok 393 # number of heavy atoms match
158: ok 394 # number of heavy atoms match
158: ok 395 # number of heavy atoms match
158: ok 396 # number of heavy atoms match
158: ok 397 # number of heavy atoms match
158: ok 398 # number of heavy atoms match
158: ok 399 # number of heavy atoms match
158: ok 400 # number of heavy atoms match
158: ok 401 # number of heavy atoms match
158: ok 402 # number of heavy atoms match
158: ok 403 # number of heavy atoms match
158: ok 404 # number of heavy atoms match
158: ok 405 # number of heavy atoms match
158: ok 406 # number of heavy atoms match
158: ok 407 # number of heavy atoms match
158: ok 408 # number of heavy atoms match
158: ok 409 # number of heavy atoms match
158: ok 410 # number of heavy atoms match
158: ok 411 # number of heavy atoms match
158: ok 412 # number of heavy atoms match
158: ok 413 # number of heavy atoms match
158: ok 414 # number of heavy atoms match
158: ok 415 # number of heavy atoms match
158: ok 416 # number of heavy atoms match
158: ok 417 # number of heavy atoms match
158: ok 418 # number of heavy atoms match
158: ok 419 # number of heavy atoms match
158: ok 420 # number of heavy atoms match
158: ok 421 # number of heavy atoms match
158: ok 422 # number of heavy atoms match
158: ok 423 # number of heavy atoms match
158: ok 424 # number of heavy atoms match
158: ok 425 # number of heavy atoms match
158: ok 426 # number of heavy atoms match
158: ok 427 # number of heavy atoms match
158: ok 428 # number of heavy atoms match
158: ok 429 # number of heavy atoms match
158: ok 430 # number of heavy atoms match
158: ok 431 # number of heavy atoms match
158: ok 432 # number of heavy atoms match
158: ok 433 # number of heavy atoms match
158: ok 434 # number of heavy atoms match
158: ok 435 # number of heavy atoms match
158: ok 436 # number of heavy atoms match
158: ok 437 # number of heavy atoms match
158: ok 438 # number of heavy atoms match
158: ok 439 # number of heavy atoms match
158: ok 440 # number of heavy atoms match
158: ok 441 # number of heavy atoms match
158: ok 442 # number of heavy atoms match
158: ok 443 # number of heavy atoms match
158: ok 444 # number of heavy atoms match
158: ok 445 # number of heavy atoms match
158: ok 446 # number of heavy atoms match
158: ok 447 # number of heavy atoms match
158: ok 448 # number of heavy atoms match
158: ok 449 # number of heavy atoms match
158: ok 450 # number of heavy atoms match
158: ok 451 # number of heavy atoms match
158: ok 452 # number of heavy atoms match
158: ok 453 # number of heavy atoms match
158: ok 454 # number of heavy atoms match
158: ok 455 # number of heavy atoms match
158: ok 456 # number of heavy atoms match
158: ok 457 # number of heavy atoms match
158: ok 458 # number of heavy atoms match
158: ok 459 # number of heavy atoms match
158: ok 460 # number of heavy atoms match
158: ok 461 # number of heavy atoms match
158: ok 462 # number of heavy atoms match
158: ok 463 # number of heavy atoms match
158: ok 464 # number of heavy atoms match
158: ok 465 # number of heavy atoms match
158: ok 466 # number of heavy atoms match
158: ok 467 # number of heavy atoms match
158: ok 468 # number of heavy atoms match
158: ok 469 # number of heavy atoms match
158: ok 470 # number of heavy atoms match
158: ok 471 # number of heavy atoms match
158: ok 472 # number of heavy atoms match
158: ok 473 # number of heavy atoms match
158: ok 474 # number of heavy atoms match
158: ok 475 # number of heavy atoms match
158: ok 476 # number of heavy atoms match
158: ok 477 # number of heavy atoms match
158: ok 478 # number of heavy atoms match
158: ok 479 # number of heavy atoms match
158: ok 480 # number of heavy atoms match
158: ok 481 # number of heavy atoms match
158: ok 482 # number of heavy atoms match
158: ok 483 # number of heavy atoms match
158: ok 484 # number of heavy atoms match
158: ok 485 # number of heavy atoms match
158: ok 486 # number of heavy atoms match
158: ok 487 # number of heavy atoms match
158: ok 488 # number of heavy atoms match
158: ok 489 # number of heavy atoms match
158: ok 490 # number of heavy atoms match
158: ok 491 # number of heavy atoms match
158: ok 492 # number of heavy atoms match
158: ok 493 # number of heavy atoms match
158: ok 494 # number of heavy atoms match
158: ok 495 # number of heavy atoms match
158: ok 496 # number of heavy atoms match
158: ok 497 # number of heavy atoms match
158: ok 498 # number of heavy atoms match
158: ok 499 # number of heavy atoms match
158: ok 500 # number of heavy atoms match
158: ok 501 # number of heavy atoms match
158: ok 502 # number of heavy atoms match
158: ok 503 # number of heavy atoms match
158: ok 504 # number of heavy atoms match
158: ok 505 # number of heavy atoms match
158: ok 506 # number of heavy atoms match
158: ok 507 # number of heavy atoms match
158: ok 508 # number of heavy atoms match
158: ok 509 # number of heavy atoms match
158: ok 510 # number of heavy atoms match
158: ok 511 # number of heavy atoms match
158: ok 512 # number of heavy atoms match
158: ok 513 # number of heavy atoms match
158: ok 514 # number of heavy atoms match
158: ok 515 # number of heavy atoms match
158: ok 516 # number of heavy atoms match
158: ok 517 # number of heavy atoms match
158: ok 518 # number of heavy atoms match
158: ok 519 # number of heavy atoms match
158: ok 520 # number of heavy atoms match
158: ok 521 # number of heavy atoms match
158: ok 522 # number of heavy atoms match
158: ok 523 # number of heavy atoms match
158: ok 524 # number of heavy atoms match
158: ok 525 # number of heavy atoms match
158: ok 526 # number of heavy atoms match
158: ok 527 # number of heavy atoms match
158: ok 528 # number of heavy atoms match
158: ok 529 # number of heavy atoms match
158: ok 530 # number of heavy atoms match
158: ok 531 # number of heavy atoms match
158: ok 532 # number of heavy atoms match
158: ok 533 # number of heavy atoms match
158: ok 534 # number of heavy atoms match
158: ok 535 # number of heavy atoms match
158: ok 536 # number of heavy atoms match
158: ok 537 # number of heavy atoms match
158: ok 538 # number of heavy atoms match
158: ok 539 # number of heavy atoms match
158: ok 540 # number of heavy atoms match
158: ok 541 # number of heavy atoms match
158: ok 542 # number of heavy atoms match
158: ok 543 # number of heavy atoms match
158: ok 544 # number of heavy atoms match
158: ok 545 # number of heavy atoms match
158: ok 546 # number of heavy atoms match
158: ok 547 # number of heavy atoms match
158: ok 548 # number of heavy atoms match
158: ok 549 # number of heavy atoms match
158: ok 550 # number of heavy atoms match
158: ok 551 # number of heavy atoms match
158: ok 552 # number of heavy atoms match
158: ok 553 # number of heavy atoms match
158: ok 554 # number of heavy atoms match
158: ok 555 # number of heavy atoms match
158: ok 556 # number of heavy atoms match
158: ok 557 # number of heavy atoms match
158: ok 558 # number of heavy atoms match
158: ok 559 # number of heavy atoms match
158: ok 560 # number of heavy atoms match
158: ok 561 # number of heavy atoms match
158: ok 562 # number of heavy atoms match
158: ok 563 # number of heavy atoms match
158: ok 564 # number of heavy atoms match
158: ok 565 # number of heavy atoms match
158: ok 566 # number of heavy atoms match
158: ok 567 # number of heavy atoms match
158: ok 568 # number of heavy atoms match
158: ok 569 # number of heavy atoms match
158: ok 570 # number of heavy atoms match
158: ok 571 # number of heavy atoms match
158: ok 572 # number of heavy atoms match
158: ok 573 # number of heavy atoms match
158: ok 574 # number of heavy atoms match
158: ok 575 # number of heavy atoms match
158: ok 576 # number of heavy atoms match
158: ok 577 # number of heavy atoms match
158: ok 578 # number of heavy atoms match
158: ok 579 # number of heavy atoms match
158: ok 580 # number of heavy atoms match
158: ok 581 # number of heavy atoms match
158: ok 582 # number of heavy atoms match
158: ok 583 # number of heavy atoms match
158: ok 584 # number of heavy atoms match
158: ok 585 # number of heavy atoms match
158: ok 586 # number of heavy atoms match
158: ok 587 # number of heavy atoms match
158: ok 588 # number of heavy atoms match
158: ok 589 # number of heavy atoms match
158: ok 590 # number of heavy atoms match
158: ok 591 # number of heavy atoms match
158: ok 592 # number of heavy atoms match
158: ok 593 # number of heavy atoms match
158: ok 594 # number of heavy atoms match
158: ok 595 # number of heavy atoms match
158: ok 596 # number of heavy atoms match
158: ok 597 # number of heavy atoms match
158: ok 598 # number of heavy atoms match
158: ok 599 # number of heavy atoms match
158: ok 600 # number of heavy atoms match
158: ok 601 # number of heavy atoms match
158: ok 602 # number of heavy atoms match
158: ok 603 # number of heavy atoms match
158: ok 604 # number of heavy atoms match
158: ok 605 # number of heavy atoms match
158: ok 606 # number of heavy atoms match
158: ok 607 # number of heavy atoms match
158: ok 608 # number of heavy atoms match
158: ok 609 # number of heavy atoms match
158: ok 610 # number of heavy atoms match
158: ok 611 # number of heavy atoms match
158: ok 612 # number of heavy atoms match
158: ok 613 # number of heavy atoms match
158: ok 614 # number of heavy atoms match
158: ok 615 # number of heavy atoms match
158: ok 616 # number of heavy atoms match
158: ok 617 # number of heavy atoms match
158: ok 618 # number of heavy atoms match
158: ok 619 # number of heavy atoms match
158: ok 620 # number of heavy atoms match
158: ok 621 # number of heavy atoms match
158: ok 622 # number of heavy atoms match
158: ok 623 # number of heavy atoms match
158: ok 624 # number of heavy atoms match
158: ok 625 # number of heavy atoms match
158: ok 626 # number of heavy atoms match
158: ok 627 # number of heavy atoms match
158: ok 628 # number of heavy atoms match
158: ok 629 # number of heavy atoms match
158: ok 630 # number of heavy atoms match
158: ok 631 # number of heavy atoms match
158: ok 632 # number of heavy atoms match
158: ok 633 # number of heavy atoms match
158: ok 634 # number of heavy atoms match
158: ok 635 # number of heavy atoms match
158: ok 636 # number of heavy atoms match
158: ok 637 # number of heavy atoms match
158: ok 638 # number of heavy atoms match
158: ok 639 # number of heavy atoms match
158: ok 640 # number of heavy atoms match
158: ok 641 # number of heavy atoms match
158: ok 642 # number of heavy atoms match
158: ok 643 # number of heavy atoms match
158: ok 644 # number of heavy atoms match
158: ok 645 # number of heavy atoms match
158: ok 646 # number of heavy atoms match
158: ok 647 # number of heavy atoms match
158: ok 648 # number of heavy atoms match
158: ok 649 # number of heavy atoms match
158: ok 650 # number of heavy atoms match
158: ok 651 # number of heavy atoms match
158: ok 652 # number of heavy atoms match
158: ok 653 # number of heavy atoms match
158: ok 654 # number of heavy atoms match
158: ok 655 # number of heavy atoms match
158: ok 656 # number of heavy atoms match
158: ok 657 # number of heavy atoms match
158: ok 658 # number of heavy atoms match
158: ok 659 # number of heavy atoms match
158: ok 660 # number of heavy atoms match
158: ok 661 # number of heavy atoms match
158: ok 662 # number of heavy atoms match
158: ok 663 # number of heavy atoms match
158: ok 664 # number of heavy atoms match
158: ok 665 # number of heavy atoms match
158: ok 666 # number of heavy atoms match
158: ok 667 # number of heavy atoms match
158: ok 668 # number of heavy atoms match
158: ok 669 # number of heavy atoms match
158: ok 670 # number of heavy atoms match
158: ok 671 # number of heavy atoms match
158: ok 672 # number of heavy atoms match
158: ok 673 # number of heavy atoms match
158: ok 674 # number of heavy atoms match
158: ok 675 # number of heavy atoms match
158: ok 676 # number of heavy atoms match
158: ok 677 # number of heavy atoms match
158: ok 678 # number of heavy atoms match
158: ok 679 # number of heavy atoms match
158: ok 680 # number of heavy atoms match
158: ok 681 # number of heavy atoms match
158: ok 682 # number of heavy atoms match
158: ok 683 # number of heavy atoms match
158: ok 684 # number of heavy atoms match
158: ok 685 # number of heavy atoms match
158: ok 686 # number of heavy atoms match
158: ok 687 # number of heavy atoms match
158: ok 688 # number of heavy atoms match
158: ok 689 # number of heavy atoms match
158: ok 690 # number of heavy atoms match
158: ok 691 # number of heavy atoms match
158: ok 692 # number of heavy atoms match
158: ok 693 # number of heavy atoms match
158: ok 694 # number of heavy atoms match
158: ok 695 # number of heavy atoms match
158: ok 696 # number of heavy atoms match
158: ok 697 # number of heavy atoms match
158: ok 698 # number of heavy atoms match
158: ok 699 # number of heavy atoms match
158: ok 700 # number of heavy atoms match
158: ok 701 # number of heavy atoms match
158: ok 702 # number of heavy atoms match
158: ok 703 # number of heavy atoms match
158: ok 704 # number of heavy atoms match
158: ok 705 # number of heavy atoms match
158: ok 706 # number of heavy atoms match
158: ok 707 # number of heavy atoms match
158: ok 708 # number of heavy atoms match
158: ok 709 # number of heavy atoms match
158: ok 710 # number of heavy atoms match
158: ok 711 # number of heavy atoms match
158: ok 712 # number of heavy atoms match
158: ok 713 # number of heavy atoms match
158: ok 714 # number of heavy atoms match
158: ok 715 # number of heavy atoms match
158: ok 716 # number of heavy atoms match
158: ok 717 # number of heavy atoms match
158: ok 718 # number of heavy atoms match
158: ok 719 # number of heavy atoms match
158: ok 720 # number of heavy atoms match
158: ok 721 # number of heavy atoms match
158: ok 722 # number of heavy atoms match
158: ok 723 # number of heavy atoms match
158: ok 724 # number of heavy atoms match
158: ok 725 # number of heavy atoms match
158: ok 726 # number of heavy atoms match
158: ok 727 # number of heavy atoms match
158: ok 728 # number of heavy atoms match
158: ok 729 # number of heavy atoms match
158: ok 730 # number of heavy atoms match
158: ok 731 # number of heavy atoms match
158: ok 732 # number of heavy atoms match
158: ok 733 # number of heavy atoms match
158: ok 734 # number of heavy atoms match
158: ok 735 # number of heavy atoms match
158: ok 736 # number of heavy atoms match
158: ok 737 # number of heavy atoms match
158: ok 738 # number of heavy atoms match
158: ok 739 # number of heavy atoms match
158: ok 740 # number of heavy atoms match
158: ok 741 # number of heavy atoms match
158: ok 742 # number of heavy atoms match
158: ok 743 # number of heavy atoms match
158: ok 744 # number of heavy atoms match
158: ok 745 # number of heavy atoms match
158: ok 746 # number of heavy atoms match
158: ok 747 # number of heavy atoms match
158: ok 748 # number of heavy atoms match
158: ok 749 # number of heavy atoms match
158: ok 750 # number of heavy atoms match
158: ok 751 # number of heavy atoms match
158: ok 752 # number of heavy atoms match
158: ok 753 # number of heavy atoms match
158: ok 754 # number of heavy atoms match
158: ok 755 # number of heavy atoms match
158: ok 756 # number of heavy atoms match
158: ok 757 # number of heavy atoms match
158: ok 758 # number of heavy atoms match
158: ok 759 # number of heavy atoms match
158: ok 760 # number of heavy atoms match
158: ok 761 # number of heavy atoms match
158: ok 762 # number of heavy atoms match
158: ok 763 # number of heavy atoms match
158: ok 764 # number of heavy atoms match
158: ok 765 # number of heavy atoms match
158: ok 766 # number of heavy atoms match
158: ok 767 # number of heavy atoms match
158: ok 768 # number of heavy atoms match
158: ok 769 # number of heavy atoms match
158: ok 770 # number of heavy atoms match
158: ok 771 # number of heavy atoms match
158: ok 772 # number of heavy atoms match
158: ok 773 # number of heavy atoms match
158: ok 774 # number of heavy atoms match
158: ok 775 # number of heavy atoms match
158: ok 776 # number of heavy atoms match
158: ok 777 # number of heavy atoms match
158: ok 778 # number of heavy atoms match
158: ok 779 # number of heavy atoms match
158: ok 780 # number of heavy atoms match
158: ok 781 # number of heavy atoms match
158: ok 782 # number of heavy atoms match
158: ok 783 # number of heavy atoms match
158: ok 784 # number of heavy atoms match
158: ok 785 # number of heavy atoms match
158: ok 786 # number of heavy atoms match
158: ok 787 # number of heavy atoms match
158: ok 788 # number of heavy atoms match
158: ok 789 # number of heavy atoms match
158: ok 790 # number of heavy atoms match
158: ok 791 # number of heavy atoms match
158: ok 792 # number of heavy atoms match
158: ok 793 # number of heavy atoms match
158: ok 794 # number of heavy atoms match
158: ok 795 # number of heavy atoms match
158: ok 796 # number of heavy atoms match
158: ok 797 # number of heavy atoms match
158: ok 798 # number of heavy atoms match
158: ok 799 # number of heavy atoms match
158: ok 800 # number of heavy atoms match
158: ok 801 # number of heavy atoms match
158: ok 802 # number of heavy atoms match
158: ok 803 # number of heavy atoms match
158: ok 804 # number of heavy atoms match
158: ok 805 # number of heavy atoms match
158: ok 806 # number of heavy atoms match
158: ok 807 # number of heavy atoms match
158: ok 808 # number of heavy atoms match
158: ok 809 # number of heavy atoms match
158: ok 810 # number of heavy atoms match
158: ok 811 # number of heavy atoms match
158: ok 812 # number of heavy atoms match
158: ok 813 # number of heavy atoms match
158: ok 814 # number of heavy atoms match
158: ok 815 # number of heavy atoms match
158: ok 816 # number of heavy atoms match
158: ok 817 # number of heavy atoms match
158: ok 818 # number of heavy atoms match
158: ok 819 # number of heavy atoms match
158: ok 820 # number of heavy atoms match
158: ok 821 # number of heavy atoms match
158: ok 822 # number of heavy atoms match
158: ok 823 # number of heavy atoms match
158: ok 824 # number of heavy atoms match
158: ok 825 # number of heavy atoms match
158: ok 826 # number of heavy atoms match
158: ok 827 # number of heavy atoms match
158: ok 828 # number of heavy atoms match
158: ok 829 # number of heavy atoms match
158: ok 830 # number of heavy atoms match
158: ok 831 # number of heavy atoms match
158: ok 832 # number of heavy atoms match
158: ok 833 # number of heavy atoms match
158: ok 834 # number of heavy atoms match
158: ok 835 # number of heavy atoms match
158: ok 836 # number of heavy atoms match
158: ok 837 # number of heavy atoms match
158: ok 838 # number of heavy atoms match
158: ok 839 # number of heavy atoms match
158: ok 840 # number of heavy atoms match
158: ok 841 # number of heavy atoms match
158: ok 842 # number of heavy atoms match
158: ok 843 # number of heavy atoms match
158: ok 844 # number of heavy atoms match
158: ok 845 # number of heavy atoms match
158: ok 846 # number of heavy atoms match
158: ok 847 # number of heavy atoms match
158: ok 848 # number of heavy atoms match
158: ok 849 # number of heavy atoms match
158: ok 850 # number of heavy atoms match
158: ok 851 # number of heavy atoms match
158: ok 852 # number of heavy atoms match
158: ok 853 # number of heavy atoms match
158: ok 854 # number of heavy atoms match
158: ok 855 # number of heavy atoms match
158: ok 856 # number of heavy atoms match
158: ok 857 # number of heavy atoms match
158: ok 858 # number of heavy atoms match
158: ok 859 # number of heavy atoms match
158: ok 860 # number of heavy atoms match
158: ok 861 # number of heavy atoms match
158: ok 862 # number of heavy atoms match
158: ok 863 # number of heavy atoms match
158: ok 864 # number of heavy atoms match
158: ok 865 # number of heavy atoms match
158: ok 866 # number of heavy atoms match
158: ok 867 # number of heavy atoms match
158: ok 868 # number of heavy atoms match
158: ok 869 # number of heavy atoms match
158: ok 870 # number of heavy atoms match
158: ok 871 # number of heavy atoms match
158: ok 872 # number of heavy atoms match
158: ok 873 # number of heavy atoms match
158: ok 874 # number of heavy atoms match
158: ok 875 # number of heavy atoms match
158: ok 876 # number of heavy atoms match
158: ok 877 # number of heavy atoms match
158: ok 878 # number of heavy atoms match
158: ok 879 # number of heavy atoms match
158: ok 880 # number of heavy atoms match
158: ok 881 # number of heavy atoms match
158: ok 882 # number of heavy atoms match
158: ok 883 # number of heavy atoms match
158: ok 884 # number of heavy atoms match
158: ok 885 # number of heavy atoms match
158: ok 886 # number of heavy atoms match
158: ok 887 # number of heavy atoms match
158: ok 888 # number of heavy atoms match
158: ok 889 # number of heavy atoms match
158: ok 890 # number of heavy atoms match
158: ok 891 # number of heavy atoms match
158: ok 892 # number of heavy atoms match
158: ok 893 # number of heavy atoms match
158: ok 894 # number of heavy atoms match
158: ok 895 # number of heavy atoms match
158: ok 896 # number of heavy atoms match
158: ok 897 # number of heavy atoms match
158: ok 898 # number of heavy atoms match
158: ok 899 # number of heavy atoms match
158: ok 900 # number of heavy atoms match
158: ok 901 # number of heavy atoms match
158: ok 902 # number of heavy atoms match
158: ok 903 # number of heavy atoms match
158: ok 904 # number of heavy atoms match
158: ok 905 # number of heavy atoms match
158: ok 906 # number of heavy atoms match
158: ok 907 # number of heavy atoms match
158: ok 908 # number of heavy atoms match
158: ok 909 # number of heavy atoms match
158: ok 910 # number of heavy atoms match
158: ok 911 # number of heavy atoms match
158: ok 912 # number of heavy atoms match
158: ok 913 # number of heavy atoms match
158: ok 914 # number of heavy atoms match
158: ok 915 # number of heavy atoms match
158: ok 916 # number of heavy atoms match
158: ok 917 # number of heavy atoms match
158: ok 918 # number of heavy atoms match
158: ok 919 # number of heavy atoms match
158: ok 920 # number of heavy atoms match
158: ok 921 # number of heavy atoms match
158: ok 922 # number of heavy atoms match
158: ok 923 # number of heavy atoms match
158: ok 924 # number of heavy atoms match
158: ok 925 # number of heavy atoms match
158: ok 926 # number of heavy atoms match
158: ok 927 # number of heavy atoms match
158: ok 928 # number of heavy atoms match
158: ok 929 # number of heavy atoms match
158: ok 930 # number of heavy atoms match
158: ok 931 # number of heavy atoms match
158: ok 932 # number of heavy atoms match
158: ok 933 # number of heavy atoms match
158: ok 934 # number of heavy atoms match
158: ok 935 # number of heavy atoms match
158: ok 936 # number of heavy atoms match
158: ok 937 # number of heavy atoms match
158: ok 938 # number of heavy atoms match
158: ok 939 # number of heavy atoms match
158: ok 940 # number of heavy atoms match
158: ok 941 # number of heavy atoms match
158: ok 942 # number of heavy atoms match
158: ok 943 # number of heavy atoms match
158: ok 944 # number of heavy atoms match
158: ok 945 # number of heavy atoms match
158: ok 946 # number of heavy atoms match
158: ok 947 # number of heavy atoms match
158: ok 948 # number of heavy atoms match
158: ok 949 # number of heavy atoms match
158: ok 950 # number of heavy atoms match
158: ok 951 # number of heavy atoms match
158: ok 952 # number of heavy atoms match
158: ok 953 # number of heavy atoms match
158: ok 954 # number of heavy atoms match
158: ok 955 # number of heavy atoms match
158: ok 956 # number of heavy atoms match
158: ok 957 # number of heavy atoms match
158: ok 958 # number of heavy atoms match
158: ok 959 # number of heavy atoms match
158: ok 960 # number of heavy atoms match
158: ok 961 # number of heavy atoms match
158: ok 962 # number of heavy atoms match
158: ok 963 # number of heavy atoms match
158: ok 964 # number of heavy atoms match
158: ok 965 # number of heavy atoms match
158: ok 966 # number of heavy atoms match
158: ok 967 # number of heavy atoms match
158: ok 968 # number of heavy atoms match
158: ok 969 # number of heavy atoms match
158: ok 970 # number of heavy atoms match
158: ok 971 # number of heavy atoms match
158: ok 972 # number of heavy atoms match
158: ok 973 # number of heavy atoms match
158: ok 974 # number of heavy atoms match
158: ok 975 # number of heavy atoms match
158: ok 976 # number of heavy atoms match
158: ok 977 # number of heavy atoms match
158: ok 978 # number of heavy atoms match
158: ok 979 # number of heavy atoms match
158: ok 980 # number of heavy atoms match
158: ok 981 # number of heavy atoms match
158: ok 982 # number of heavy atoms match
158: ok 983 # number of heavy atoms match
158: ok 984 # number of heavy atoms match
158: ok 985 # number of heavy atoms match
158: ok 986 # number of heavy atoms match
158: ok 987 # number of heavy atoms match
158: ok 988 # number of heavy atoms match
158: ok 989 # number of heavy atoms match
158: ok 990 # number of heavy atoms match
158: ok 991 # number of heavy atoms match
158: ok 992 # number of heavy atoms match
158: ok 993 # number of heavy atoms match
158: ok 994 # number of heavy atoms match
158: ok 995 # number of heavy atoms match
158: ok 996 # number of heavy atoms match
158: ok 997 # number of heavy atoms match
158: ok 998 # number of heavy atoms match
158: ok 999 # number of heavy atoms match
158: ok 1000 # number of heavy atoms match
158: ok 1001 # number of heavy atoms match
158: ok 1002 # number of heavy atoms match
158: ok 1003 # number of heavy atoms match
158: ok 1004 # number of heavy atoms match
158: ok 1005 # number of heavy atoms match
159: ok 1 # dipole
159: ok 2 # charge
159: ok 3 # charge
159: ok 4 # charge
159: ok 5 # charge
159: ok 6 # charge
159: ok 7 # charge
159: ok 8 # charge
159: ok 9 # charge
159: ok 10 # charge
159: ok 11 # charge
159: ok 12 # charge
159: ok 13 # charge
159: ok 14 # charge
159: ok 15 # charge
159: ok 16 # charge
159: ok 17 # charge
159: ok 18 # charge
159: ok 19 # charge
159: ok 20 # charge
159: ok 21 # charge
159: ok 22 # charge
159: ok 23 # charge
159: ok 24 # charge
159: ok 25 # charge
159: ok 26 # charge
159: ok 27 # charge
159: ok 28 # charge
159: ok 29 # charge
159: ok 30 # charge
159: ok 31 # charge
159: ok 32 # charge
159: ok 33 # charge
159: ok 34 # charge
159: ok 35 # charge
159: ok 36 # charge
159: ok 37 # charge
159: ok 38 # charge
159: ok 39 # charge
159: ok 40 # charge
159: ok 41 # dipole
159: ok 42 # charge
159: ok 43 # charge
159: ok 44 # charge
159: ok 45 # charge
159: ok 46 # charge
159: ok 47 # charge
159: ok 48 # charge
159: ok 49 # dipole
159: ok 50 # charge
159: ok 51 # charge
159: ok 52 # charge
159: ok 53 # charge
159: ok 54 # charge
159: ok 55 # charge
159: ok 56 # charge
159: ok 57 # charge
159: ok 58 # charge
159: ok 59 # dipole
159: ok 60 # charge
159: ok 61 # charge
159: ok 62 # charge
159: ok 63 # charge
159: ok 64 # charge
159: ok 65 # charge
159: ok 66 # charge
159: ok 67 # charge
159: ok 68 # dipole
159: ok 69 # charge
159: ok 70 # charge
159: ok 71 # charge
159: ok 72 # charge
159: ok 73 # charge
159: ok 74 # charge
159: ok 75 # charge
159: ok 76 # charge
159: ok 77 # charge
159: ok 78 # charge
159: ok 79 # charge
159: ok 80 # charge
159: ok 81 # charge
159: ok 82 # dipole
159: ok 83 # charge
159: ok 84 # charge
159: ok 85 # charge
159: ok 86 # charge
159: ok 87 # charge
159: ok 88 # charge
159: ok 89 # charge
159: ok 90 # charge
159: ok 91 # charge
159: ok 92 # charge
159: ok 93 # charge
159: ok 94 # charge
159: ok 95 # charge
159: ok 96 # dipole
159: ok 97 # charge
159: ok 98 # charge
159: ok 99 # charge
159: ok 100 # charge
159: ok 101 # charge
159: ok 102 # charge
159: ok 103 # charge
159: ok 104 # charge
159: ok 105 # charge
159: ok 106 # charge
159: ok 107 # charge
159: ok 108 # charge
159: ok 109 # charge
159: ok 110 # charge
159: ok 111 # charge
159: ok 112 # charge
159: ok 113 # charge
159: ok 114 # charge
159: ok 115 # charge
159: ok 116 # charge
159: ok 117 # charge
159: ok 118 # charge
159: ok 119 # charge
159: ok 120 # charge
159: ok 121 # charge
159: ok 122 # charge
159: ok 123 # charge
159: ok 124 # charge
159: ok 125 # charge
159: ok 126 # charge
159: ok 127 # charge
159: ok 128 # charge
159: ok 129 # charge
159: ok 130 # charge
159: ok 131 # charge
159: ok 132 # charge
159: ok 133 # charge
159: ok 134 # charge
159: ok 135 # charge
159: ok 136 # charge
159: ok 137 # charge
159: ok 138 # charge
159: ok 139 # charge
159: ok 140 # charge
159: ok 141 # charge
159: ok 142 # charge
159: ok 143 # charge
159: ok 144 # charge
159: ok 145 # charge
159: ok 146 # charge
159: ok 147 # charge
159: ok 148 # charge
159: ok 149 # charge
159: ok 150 # charge
159: ok 151 # charge
159: ok 152 # charge
159: ok 153 # charge
159: ok 154 # charge
159: ok 155 # charge
159: ok 156 # charge
159: ok 157 # charge
159: ok 158 # charge
159: ok 159 # charge
159: ok 160 # charge
159: ok 161 # charge
159: ok 162 # dipole
159: ok 163 # charge
159: ok 164 # charge
159: ok 165 # charge
159: ok 166 # charge
159: ok 167 # charge
159: ok 168 # charge
159: ok 169 # charge
159: ok 170 # charge
159: ok 171 # charge
159: ok 172 # charge
159: ok 173 # charge
159: ok 174 # charge
159: ok 175 # charge
159: ok 176 # charge
159: ok 177 # charge
159: ok 178 # charge
159: ok 179 # charge
159: ok 180 # charge
159: ok 181 # charge
159: ok 182 # charge
159: ok 183 # charge
159: ok 184 # charge
159: ok 185 # charge
159: ok 186 # charge
159: ok 187 # dipole
159: ok 188 # charge
159: ok 189 # charge
159: ok 190 # charge
159: ok 191 # charge
159: ok 192 # charge
159: ok 193 # charge
159: ok 194 # charge
159: ok 195 # charge
159: ok 196 # charge
159: ok 197 # charge
159: ok 198 # charge
159: ok 199 # charge
159: ok 200 # charge
159: ok 201 # charge
159: ok 202 # charge
159: ok 203 # charge
159: ok 204 # charge
159: ok 205 # charge
159: ok 206 # charge
159: ok 207 # charge
159: ok 208 # charge
159: ok 209 # charge
159: ok 210 # charge
159: ok 211 # charge
159: ok 212 # charge
159: ok 213 # charge
159: ok 214 # charge
159: ok 215 # charge
159: ok 216 # charge
159: ok 217 # charge
159: ok 218 # charge
159: ok 219 # charge
159: ok 220 # charge
159: ok 221 # charge
159: ok 222 # charge
159: ok 223 # charge
159: ok 224 # charge
159: ok 225 # charge
159: ok 226 # charge
159: ok 227 # charge
159: ok 228 # charge
159: ok 229 # charge
159: ok 230 # charge
159: ok 231 # charge
159: ok 232 # charge
159: ok 233 # charge
159: ok 234 # charge
159: ok 235 # charge
159: ok 236 # charge
159: ok 237 # charge
159: ok 238 # charge
159: ok 239 # charge
159: ok 240 # charge
159: ok 241 # charge
159: ok 242 # charge
159: ok 243 # charge
159: ok 244 # charge
159: ok 245 # charge
159: ok 246 # charge
159: ok 247 # charge
159: ok 248 # dipole
159: ok 249 # charge
159: ok 250 # charge
159: ok 251 # charge
159: ok 252 # charge
159: ok 253 # charge
159: ok 254 # charge
159: ok 255 # charge
159: ok 256 # charge
159: ok 257 # charge
159: ok 258 # charge
159: ok 259 # charge
159: ok 260 # charge
159: ok 261 # charge
159: ok 262 # charge
159: ok 263 # charge
159: ok 264 # charge
159: ok 265 # charge
159: ok 266 # charge
159: ok 267 # charge
159: ok 268 # charge
159: ok 269 # charge
159: ok 270 # charge
159: ok 271 # charge
159: ok 272 # charge
159: ok 273 # dipole
159: ok 274 # charge
159: ok 275 # charge
159: ok 276 # charge
159: ok 277 # charge
159: ok 278 # charge
159: ok 279 # charge
159: ok 280 # charge
159: ok 281 # charge
159: ok 282 # charge
159: ok 283 # charge
159: ok 284 # charge
159: ok 285 # charge
159: ok 286 # charge
159: ok 287 # charge
159: ok 288 # charge
159: ok 289 # charge
159: ok 290 # charge
159: ok 291 # charge
159: ok 292 # charge
159: ok 293 # charge
159: ok 294 # charge
159: ok 295 # charge
159: ok 296 # charge
159: ok 297 # charge
159: ok 298 # charge
159: ok 299 # charge
159: ok 300 # charge
159: ok 301 # charge
159: ok 302 # charge
159: ok 303 # charge
159: ok 304 # charge
159: ok 305 # charge
159: ok 306 # charge
159: ok 307 # charge
159: ok 308 # charge
159: ok 309 # charge
159: ok 310 # charge
159: ok 311 # charge
159: ok 312 # charge
159: ok 313 # charge
159: ok 314 # charge
159: ok 315 # charge
159: ok 316 # charge
159: ok 317 # charge
159: ok 318 # charge
159: ok 319 # charge
159: ok 320 # charge
159: ok 321 # charge
159: ok 322 # charge
159: ok 323 # charge
159: ok 324 # charge
159: ok 325 # charge
159: ok 326 # charge
159: ok 327 # charge
159: ok 328 # charge
159: ok 329 # charge
159: ok 330 # charge
159: ok 331 # charge
159: ok 332 # charge
159: ok 333 # charge
159: ok 334 # charge
159: ok 335 # charge
159: ok 336 # charge
159: ok 337 # charge
159: ok 338 # charge
159: ok 339 # charge
159: ok 340 # charge
159: ok 341 # charge
159: ok 342 # charge
159: ok 343 # charge
159: ok 344 # charge
159: ok 345 # charge
159: ok 346 # charge
159: ok 347 # charge
159: ok 348 # dipole
159: ok 349 # charge
159: ok 350 # charge
159: ok 351 # charge
159: ok 352 # charge
159: ok 353 # charge
159: ok 354 # charge
159: ok 355 # charge
159: ok 356 # charge
159: ok 357 # charge
159: ok 358 # charge
159: ok 359 # charge
159: ok 360 # charge
159: ok 361 # charge
159: ok 362 # charge
159: ok 363 # charge
159: ok 364 # charge
159: ok 365 # charge
159: ok 366 # charge
159: ok 367 # charge
159: ok 368 # charge
159: ok 369 # charge
159: ok 370 # charge
159: ok 371 # charge
159: ok 372 # charge
159: ok 373 # charge
159: ok 374 # charge
159: ok 375 # charge
159: ok 376 # charge
159: ok 377 # charge
159: ok 378 # charge
159: ok 379 # charge
159: ok 380 # charge
159: ok 381 # charge
159: ok 382 # charge
159: ok 383 # charge
159: ok 384 # charge
159: ok 385 # charge
159: ok 386 # charge
159: ok 387 # charge
159: ok 388 # charge
159: ok 389 # charge
159: ok 390 # charge
159: ok 391 # dipole
159: ok 392 # charge
159: ok 393 # charge
159: ok 394 # charge
159: ok 395 # charge
159: ok 396 # charge
159: ok 397 # charge
159: ok 398 # charge
159: ok 399 # charge
159: ok 400 # charge
159: ok 401 # charge
159: ok 402 # charge
159: ok 403 # charge
159: ok 404 # charge
159: ok 405 # charge
159: ok 406 # charge
159: ok 407 # charge
159: ok 408 # charge
159: ok 409 # charge
159: ok 410 # charge
159: ok 411 # charge
159: ok 412 # charge
159: ok 413 # charge
159: ok 414 # charge
159: ok 415 # charge
159: ok 416 # charge
159: ok 417 # charge
159: ok 418 # charge
159: ok 419 # charge
159: ok 420 # charge
159: ok 421 # charge
159: ok 422 # charge
159: ok 423 # charge
159: ok 424 # charge
159: ok 425 # charge
159: ok 426 # charge
159: ok 427 # charge
159: ok 428 # charge
159: ok 429 # dipole
159: ok 430 # charge
159: ok 431 # charge
159: ok 432 # charge
159: ok 433 # charge
159: ok 434 # charge
159: ok 435 # charge
159: ok 436 # charge
159: ok 437 # charge
159: ok 438 # charge
159: ok 439 # charge
159: ok 440 # charge
159: ok 441 # charge
159: ok 442 # charge
159: ok 443 # charge
159: ok 444 # charge
159: ok 445 # charge
159: ok 446 # charge
159: ok 447 # charge
159: ok 448 # charge
159: ok 449 # charge
159: ok 450 # charge
159: ok 451 # charge
159: ok 452 # charge
159: ok 453 # charge
159: ok 454 # charge
159: ok 455 # charge
159: ok 456 # charge
159: ok 457 # charge
159: ok 458 # charge
159: ok 459 # charge
159: ok 460 # charge
159: ok 461 # charge
159: ok 462 # charge
159: ok 463 # charge
159: ok 464 # charge
159: ok 465 # charge
159: ok 466 # charge
159: ok 467 # charge
159: ok 468 # charge
159: ok 469 # dipole
159: ok 470 # charge
159: ok 471 # charge
159: ok 472 # charge
159: ok 473 # charge
159: ok 474 # charge
159: ok 475 # charge
159: ok 476 # charge
159: ok 477 # charge
159: ok 478 # charge
159: ok 479 # charge
159: ok 480 # charge
159: ok 481 # charge
159: ok 482 # charge
159: ok 483 # charge
159: ok 484 # charge
159: ok 485 # charge
159: ok 486 # charge
159: ok 487 # charge
159: ok 488 # charge
159: ok 489 # charge
159: ok 490 # charge
159: ok 491 # charge
159: ok 492 # charge
159: ok 493 # charge
159: ok 494 # charge
159: ok 495 # charge
159: ok 496 # charge
159: ok 497 # charge
159: ok 498 # charge
159: ok 499 # charge
159: ok 500 # charge
159: ok 501 # charge
159: ok 502 # charge
159: ok 503 # dipole
159: ok 504 # charge
159: ok 505 # charge
159: ok 506 # charge
159: ok 507 # charge
159: ok 508 # charge
159: ok 509 # charge
159: ok 510 # charge
159: ok 511 # charge
159: ok 512 # charge
159: ok 513 # charge
159: ok 514 # charge
159: ok 515 # charge
159: ok 516 # charge
159: ok 517 # charge
159: ok 518 # charge
159: ok 519 # charge
159: ok 520 # charge
159: ok 521 # charge
159: ok 522 # charge
159: ok 523 # charge
159: ok 524 # charge
159: ok 525 # charge
159: ok 526 # charge
159: ok 527 # charge
159: ok 528 # charge
159: ok 529 # charge
159: ok 530 # charge
159: ok 531 # charge
159: ok 532 # charge
159: ok 533 # charge
159: ok 534 # charge
159: ok 535 # dipole
159: ok 536 # charge
159: ok 537 # charge
159: ok 538 # charge
159: ok 539 # charge
159: ok 540 # charge
159: ok 541 # charge
159: ok 542 # charge
159: ok 543 # charge
159: ok 544 # charge
159: ok 545 # charge
159: ok 546 # charge
159: ok 547 # charge
159: ok 548 # charge
159: ok 549 # charge
159: ok 550 # charge
159: ok 551 # charge
159: ok 552 # charge
159: ok 553 # charge
159: ok 554 # charge
159: ok 555 # charge
159: ok 556 # charge
159: ok 557 # charge
159: ok 558 # charge
159: ok 559 # charge
159: ok 560 # charge
159: ok 561 # charge
159: ok 562 # charge
159: ok 563 # dipole
159: ok 564 # charge
159: ok 565 # charge
159: ok 566 # charge
159: ok 567 # charge
159: ok 568 # charge
159: ok 569 # charge
159: ok 570 # charge
159: ok 571 # charge
159: ok 572 # charge
159: ok 573 # charge
159: ok 574 # charge
159: ok 575 # charge
159: ok 576 # charge
159: ok 577 # charge
159: ok 578 # charge
159: ok 579 # charge
159: ok 580 # charge
159: ok 581 # charge
159: ok 582 # charge
159: ok 583 # charge
159: ok 584 # charge
159: ok 585 # charge
159: ok 586 # charge
159: ok 587 # charge
159: ok 588 # charge
159: ok 589 # charge
159: ok 590 # charge
159: ok 591 # charge
159: ok 592 # charge
159: ok 593 # charge
159: ok 594 # charge
159: ok 595 # charge
159: ok 596 # charge
159: ok 597 # charge
159: ok 598 # charge
159: ok 599 # charge
159: ok 600 # charge
159: ok 601 # charge
159: ok 602 # charge
159: ok 603 # charge
159: ok 604 # charge
159: ok 605 # charge
159: ok 606 # charge
159: ok 607 # charge
159: ok 608 # charge
159: ok 609 # charge
159: ok 610 # charge
159: ok 611 # charge
159: ok 612 # charge
159: ok 613 # charge
159: ok 614 # charge
159: ok 615 # charge
159: ok 616 # charge
159: ok 617 # charge
159: ok 618 # charge
159: ok 619 # charge
159: ok 620 # charge
159: ok 621 # charge
159: ok 622 # charge
159: ok 623 # charge
159: ok 624 # charge
159: ok 625 # charge
159: ok 626 # charge
159: 1..626
153/208 Test #159: test_charge_mmff94_1 .............   Passed    0.32 sec
160: ok 1 # dipole
160: ok 2 # charge
160: ok 3 # charge
160: ok 4 # charge
160: ok 5 # charge
160: ok 6 # charge
160: ok 7 # charge
160: ok 8 # charge
160: ok 9 # charge
160: ok 10 # charge
160: ok 11 # charge
160: ok 12 # charge
160: ok 13 # charge
160: ok 14 # charge
160: ok 15 # charge
160: ok 16 # charge
160: ok 17 # charge
160: ok 18 # charge
160: ok 19 # charge
160: ok 20 # charge
160: ok 21 # charge
160: ok 22 # charge
160: ok 23 # charge
160: ok 24 # charge
160: ok 25 # charge
160: ok 26 # charge
160: ok 27 # charge
160: ok 28 # charge
160: ok 29 # charge
160: ok 30 # charge
160: ok 31 # charge
160: ok 32 # charge
160: ok 33 # charge
160: ok 34 # charge
160: ok 35 # charge
160: ok 36 # charge
160: ok 37 # charge
160: ok 38 # charge
160: ok 39 # charge
160: ok 40 # charge
160: ok 41 # dipole
160: ok 42 # charge
160: ok 43 # charge
160: ok 44 # charge
160: ok 45 # charge
160: ok 46 # charge
160: ok 47 # charge
160: ok 48 # charge
160: ok 49 # dipole
160: ok 50 # charge
160: ok 51 # charge
160: ok 52 # charge
160: ok 53 # charge
160: ok 54 # charge
160: ok 55 # charge
160: ok 56 # charge
160: ok 57 # charge
160: ok 58 # charge
160: ok 59 # dipole
160: ok 60 # charge
160: ok 61 # charge
160: ok 62 # charge
160: ok 63 # charge
160: ok 64 # charge
160: ok 65 # charge
160: ok 66 # charge
160: ok 67 # charge
160: ok 68 # dipole
160: ok 69 # charge
160: ok 70 # charge
160: ok 71 # charge
160: ok 72 # charge
160: ok 73 # charge
160: ok 74 # charge
160: ok 75 # charge
160: ok 76 # charge
160: ok 77 # charge
160: ok 78 # charge
160: ok 79 # charge
160: ok 80 # charge
160: ok 81 # charge
160: ok 82 # dipole
160: ok 83 # charge
160: ok 84 # charge
160: ok 85 # charge
160: ok 86 # charge
160: ok 87 # charge
160: ok 88 # charge
160: ok 89 # charge
160: ok 90 # charge
160: ok 91 # charge
160: ok 92 # charge
160: ok 93 # charge
160: ok 94 # charge
160: ok 95 # charge
160: ok 96 # dipole
160: ok 97 # charge
160: ok 98 # charge
160: ok 99 # charge
160: ok 100 # charge
160: ok 101 # charge
160: ok 102 # charge
160: ok 103 # charge
160: ok 104 # charge
160: ok 105 # charge
160: ok 106 # charge
160: ok 107 # charge
160: ok 108 # charge
160: ok 109 # charge
160: ok 110 # charge
160: ok 111 # charge
160: ok 112 # charge
160: ok 113 # charge
160: ok 114 # charge
160: ok 115 # charge
160: ok 116 # charge
160: ok 117 # charge
160: ok 118 # charge
160: ok 119 # charge
160: ok 120 # charge
160: ok 121 # charge
160: ok 122 # charge
160: ok 123 # charge
160: ok 124 # charge
160: ok 125 # charge
160: ok 126 # charge
160: ok 127 # charge
160: ok 128 # charge
160: ok 129 # charge
160: ok 130 # charge
160: ok 131 # charge
160: ok 132 # charge
160: ok 133 # charge
160: ok 134 # charge
160: ok 135 # charge
160: ok 136 # charge
160: ok 137 # charge
160: ok 138 # charge
160: ok 139 # charge
160: ok 140 # charge
160: ok 141 # charge
160: ok 142 # charge
160: ok 143 # charge
160: ok 144 # charge
160: ok 145 # charge
160: ok 146 # charge
160: ok 147 # charge
160: ok 148 # charge
160: ok 149 # charge
160: ok 150 # charge
160: ok 151 # charge
160: ok 152 # charge
160: ok 153 # charge
160: ok 154 # charge
160: ok 155 # charge
160: ok 156 # charge
160: ok 157 # charge
160: ok 158 # charge
160: ok 159 # charge
160: ok 160 # charge
160: ok 161 # charge
160: ok 162 # dipole
160: ok 163 # charge
160: ok 164 # charge
160: ok 165 # charge
160: ok 166 # charge
160: ok 167 # charge
160: ok 168 # charge
160: ok 169 # charge
160: ok 170 # charge
160: ok 171 # charge
160: ok 172 # charge
160: ok 173 # charge
160: ok 174 # charge
160: ok 175 # charge
160: ok 176 # charge
160: ok 177 # charge
160: ok 178 # charge
160: ok 179 # charge
160: ok 180 # charge
160: ok 181 # charge
160: ok 182 # charge
160: ok 183 # charge
160: ok 184 # charge
160: ok 185 # charge
160: ok 186 # charge
160: ok 187 # dipole
160: ok 188 # charge
160: ok 189 # charge
160: ok 190 # charge
160: ok 191 # charge
160: ok 192 # charge
160: ok 193 # charge
160: ok 194 # charge
160: ok 195 # charge
160: ok 196 # charge
160: ok 197 # charge
160: ok 198 # charge
160: ok 199 # charge
160: ok 200 # charge
160: ok 201 # charge
160: ok 202 # charge
160: ok 203 # charge
160: ok 204 # charge
160: ok 205 # charge
160: ok 206 # charge
160: ok 207 # charge
160: ok 208 # charge
160: ok 209 # charge
160: ok 210 # charge
160: ok 211 # charge
160: ok 212 # charge
160: ok 213 # charge
160: ok 214 # charge
160: ok 215 # charge
160: ok 216 # charge
160: ok 217 # charge
160: ok 218 # charge
160: ok 219 # charge
160: ok 220 # charge
160: ok 221 # charge
160: ok 222 # charge
160: ok 223 # charge
160: ok 224 # charge
160: ok 225 # charge
160: ok 226 # charge
160: ok 227 # charge
160: ok 228 # charge
160: ok 229 # charge
160: ok 230 # charge
160: ok 231 # charge
160: ok 232 # charge
160: ok 233 # charge
160: ok 234 # charge
160: ok 235 # charge
160: ok 236 # charge
160: ok 237 # charge
160: ok 238 # charge
160: ok 239 # charge
160: ok 240 # charge
160: ok 241 # charge
160: ok 242 # charge
160: ok 243 # charge
160: ok 244 # charge
160: ok 245 # charge
160: ok 246 # charge
160: ok 247 # charge
160: ok 248 # dipole
160: ok 249 # charge
160: ok 250 # charge
160: ok 251 # charge
160: ok 252 # charge
160: ok 253 # charge
160: ok 254 # charge
160: ok 255 # charge
160: ok 256 # charge
160: ok 257 # charge
160: ok 258 # charge
160: ok 259 # charge
160: ok 260 # charge
160: ok 261 # charge
160: ok 262 # charge
160: ok 263 # charge
160: ok 264 # charge
160: ok 265 # charge
160: ok 266 # charge
160: ok 267 # charge
160: ok 268 # charge
160: ok 269 # charge
160: ok 270 # charge
160: ok 271 # charge
160: ok 272 # charge
160: ok 273 # dipole
160: ok 274 # charge
160: ok 275 # charge
160: ok 276 # charge
160: ok 277 # charge
160: ok 278 # charge
160: ok 279 # charge
160: ok 280 # charge
160: ok 281 # charge
160: ok 282 # charge
160: ok 283 # charge
160: ok 284 # charge
160: ok 285 # charge
160: ok 286 # charge
160: ok 287 # charge
160: ok 288 # charge
160: ok 289 # charge
160: ok 290 # charge
160: ok 291 # charge
160: ok 292 # charge
160: ok 293 # charge
160: ok 294 # charge
160: ok 295 # charge
160: ok 296 # charge
160: ok 297 # charge
160: ok 298 # charge
160: ok 299 # charge
160: ok 300 # charge
160: ok 301 # charge
160: ok 302 # charge
160: ok 303 # charge
160: ok 304 # charge
160: ok 305 # charge
160: ok 306 # charge
160: ok 307 # charge
160: ok 308 # charge
160: ok 309 # charge
160: ok 310 # charge
160: ok 311 # charge
160: ok 312 # charge
160: ok 313 # charge
160: ok 314 # charge
160: ok 315 # charge
160: ok 316 # charge
160: ok 317 # charge
160: ok 318 # charge
160: ok 319 # charge
160: ok 320 # charge
160: ok 321 # charge
160: ok 322 # charge
160: ok 323 # charge
160: ok 324 # charge
160: ok 325 # charge
160: ok 326 # charge
160: ok 327 # charge
160: ok 328 # charge
160: ok 329 # charge
160: ok 330 # charge
160: ok 331 # charge
160: ok 332 # charge
160: ok 333 # charge
160: ok 334 # charge
160: ok 335 # charge
160: ok 336 # charge
160: ok 337 # charge
160: ok 338 # charge
160: ok 339 # charge
160: ok 340 # charge
160: ok 341 # charge
160: ok 342 # charge
160: ok 343 # charge
160: ok 344 # charge
160: ok 345 # charge
160: ok 346 # charge
160: ok 347 # charge
160: ok 348 # dipole
160: ok 349 # charge
160: ok 350 # charge
160: ok 351 # charge
160: ok 352 # charge
160: ok 353 # charge
160: ok 354 # charge
160: ok 355 # charge
160: ok 356 # charge
160: ok 357 # charge
160: ok 358 # charge
160: ok 359 # charge
160: ok 360 # charge
160: ok 361 # charge
160: ok 362 # charge
160: ok 363 # charge
160: ok 364 # charge
160: ok 365 # charge
160: ok 366 # charge
160: ok 367 # charge
160: ok 368 # charge
160: ok 369 # charge
160: ok 370 # charge
160: ok 371 # charge
160: ok 372 # charge
160: ok 373 # charge
160: ok 374 # charge
160: ok 375 # charge
160: ok 376 # charge
160: ok 377 # charge
160: ok 378 # charge
160: ok 379 # charge
160: ok 380 # charge
160: ok 381 # charge
160: ok 382 # charge
160: ok 383 # charge
160: ok 384 # charge
160: ok 385 # charge
160: ok 386 # charge
160: ok 387 # charge
160: ok 388 # charge
160: ok 389 # charge
160: ok 390 # charge
160: ok 391 # dipole
160: ok 392 # charge
160: ok 393 # charge
160: ok 394 # charge
160: ok 395 # charge
160: ok 396 # charge
160: ok 397 # charge
160: ok 398 # charge
160: ok 399 # charge
160: ok 400 # charge
160: ok 401 # charge
160: ok 402 # charge
160: ok 403 # charge
160: ok 404 # charge
160: ok 405 # charge
160: ok 406 # charge
160: ok 407 # charge
160: ok 408 # charge
160: ok 409 # charge
160: ok 410 # charge
160: ok 411 # charge
160: ok 412 # charge
160: ok 413 # charge
160: ok 414 # charge
160: ok 415 # charge
160: ok 416 # charge
160: ok 417 # charge
160: ok 418 # charge
160: ok 419 # charge
160: ok 420 # charge
160: ok 421 # charge
160: ok 422 # charge
160: ok 423 # charge
160: ok 424 # charge
160: ok 425 # charge
160: ok 426 # charge
160: ok 427 # charge
160: ok 428 # charge
160: ok 429 # dipole
160: ok 430 # charge
160: ok 431 # charge
160: ok 432 # charge
160: ok 433 # charge
160: ok 434 # charge
160: ok 435 # charge
160: ok 436 # charge
160: ok 437 # charge
160: ok 438 # charge
160: ok 439 # charge
160: ok 440 # charge
160: ok 441 # charge
160: ok 442 # charge
160: ok 443 # charge
160: ok 444 # charge
160: ok 445 # charge
160: ok 446 # charge
160: ok 447 # charge
160: ok 448 # charge
160: ok 449 # charge
160: ok 450 # charge
160: ok 451 # charge
160: ok 452 # charge
160: ok 453 # charge
160: ok 454 # charge
160: ok 455 # charge
160: ok 456 # charge
160: ok 457 # charge
160: ok 458 # charge
160: ok 459 # charge
160: ok 460 # charge
160: ok 461 # charge
160: ok 462 # charge
160: ok 463 # charge
160: ok 464 # charge
160: ok 465 # charge
160: ok 466 # charge
160: ok 467 # charge
160: ok 468 # charge
160: ok 469 # dipole
160: ok 470 # charge
160: ok 471 # charge
160: ok 472 # charge
160: ok 473 # charge
160: ok 474 # charge
160: ok 475 # charge
160: ok 476 # charge
160: ok 477 # charge
160: ok 478 # charge
160: ok 479 # charge
160: ok 480 # charge
160: ok 481 # charge
160: ok 482 # charge
160: ok 483 # charge
160: ok 484 # charge
160: ok 485 # charge
160: ok 486 # charge
160: ok 487 # charge
160: ok 488 # charge
160: ok 489 # charge
160: ok 490 # charge
160: ok 491 # charge
160: ok 492 # charge
160: ok 493 # charge
160: ok 494 # charge
160: ok 495 # charge
160: ok 496 # charge
160: ok 497 # charge
160: ok 498 # charge
160: ok 499 # charge
160: ok 500 # charge
160: ok 501 # charge
160: ok 502 # charge
160: ok 503 # dipole
160: ok 504 # charge
160: ok 505 # charge
160: ok 506 # charge
160: ok 507 # charge
160: ok 508 # charge
160: ok 509 # charge
160: ok 510 # charge
160: ok 511 # charge
160: ok 512 # charge
160: ok 513 # charge
160: ok 514 # charge
160: ok 515 # charge
160: ok 516 # charge
160: ok 517 # charge
160: ok 518 # charge
160: ok 519 # charge
160: ok 520 # charge
160: ok 521 # charge
160: ok 522 # charge
160: ok 523 # charge
160: ok 524 # charge
160: ok 525 # charge
160: ok 526 # charge
160: ok 527 # charge
160: ok 528 # charge
160: ok 529 # charge
160: ok 530 # charge
160: ok 531 # charge
160: ok 532 # charge
160: ok 533 # charge
160: ok 534 # charge
160: ok 535 # dipole
160: ok 536 # charge
160: ok 537 # charge
160: ok 538 # charge
160: ok 539 # charge
160: ok 540 # charge
160: ok 541 # charge
160: ok 542 # charge
160: ok 543 # charge
160: ok 544 # charge
160: ok 545 # charge
160: ok 546 # charge
160: ok 547 # charge
160: ok 548 # charge
160: ok 549 # charge
160: ok 550 # charge
160: ok 551 # charge
160: ok 552 # charge
160: ok 553 # charge
160: ok 554 # charge
160: ok 555 # charge
160: ok 556 # charge
160: ok 557 # charge
160: ok 558 # charge
160: ok 559 # charge
160: ok 560 # charge
160: ok 561 # charge
160: ok 562 # charge
160: ok 563 # dipole
160: ok 564 # charge
160: ok 565 # charge
160: ok 566 # charge
160: ok 567 # charge
160: ok 568 # charge
160: ok 569 # charge
160: ok 570 # charge
160: ok 571 # charge
160: ok 572 # charge
160: ok 573 # charge
160: ok 574 # charge
160: ok 575 # charge
160: ok 576 # charge
160: ok 577 # charge
160: ok 578 # charge
160: ok 579 # charge
160: ok 580 # charge
160: ok 581 # charge
160: ok 582 # charge
160: ok 583 # charge
160: ok 584 # charge
160: ok 585 # charge
160: ok 586 # charge
160: ok 587 # charge
160: ok 588 # charge
160: ok 589 # charge
160: ok 590 # charge
160: ok 591 # charge
160: ok 592 # charge
160: ok 593 # charge
160: ok 594 # charge
160: ok 595 # charge
160: ok 596 # charge
160: ok 597 # charge
160: ok 598 # charge
160: ok 599 # charge
160: ok 600 # charge
160: ok 601 # charge
160: ok 602 # charge
160: ok 603 # charge
160: ok 604 # charge
160: ok 605 # charge
160: ok 606 # charge
160: ok 607 # charge
160: ok 608 # charge
160: ok 609 # charge
160: ok 610 # charge
160: ok 611 # charge
160: ok 612 # charge
160: ok 613 # charge
160: ok 614 # charge
160: ok 615 # charge
160: ok 616 # charge
160: ok 617 # charge
160: ok 618 # charge
160: ok 619 # charge
160: ok 620 # charge
160: ok 621 # charge
160: ok 622 # charge
160: ok 623 # charge
160: ok 624 # charge
160: ok 625 # charge
160: ok 626 # charge
154/208 Test #160: test_charge_gasteiger_1 ..........   Passed    0.32 sec
162:     angle   ( -0.026,  -0.004,  -0.006)  ( -0.026,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.349,  -0.508,  -1.131)  (  0.349,  -0.508,  -1.131)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-11.682,  -3.480,  -0.882)  (-11.682,  -3.480,  -0.882)  ( 0.00,  0.00,  0.00)
162:     electro ( -6.742,  -1.548,  -0.918)  ( -6.742,  -1.548,  -0.918)  ( 0.00,  0.00,  0.00)
162: ok 8 # gradients 
162: ok 9 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       ( 52.387, -74.873, 129.946)  ( 52.410, -74.851, 129.962)  ( 0.04,  0.03,  0.01)
162:     bond    ( 44.647, -63.177, 109.681)  ( 44.664, -63.162, 109.690)  ( 0.04,  0.02,  0.01)
162:     angle   (  7.753, -11.692,  20.276)  (  7.758, -11.686,  20.282)  ( 0.07,  0.05,  0.03)
162:     torsion ( -0.013,  -0.004,  -0.010)  ( -0.013,  -0.004,  -0.010)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  2       ( -3.482,   5.998, -10.520)  ( -3.455,   6.026, -10.493)  ( 0.79,  0.46,  0.26)
162:     bond    ( -2.128,   0.003,   0.008)  ( -2.108,   0.023,   0.029)  ( 0.92,  0.01,  0.02)
162:     angle   ( -6.969,   4.291,  -7.559)  ( -6.962,   4.299,  -7.552)  ( 0.11,  0.18,  0.09)
162:     torsion ( -0.000,   0.006,  -0.002)  (  0.000,   0.006,  -0.002)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.786,   1.739,  -3.039)  (  5.786,   1.739,  -3.039)  ( 0.00,  0.01,  0.00)
162:     electro ( -0.172,  -0.041,   0.071)  ( -0.172,  -0.041,   0.071)  ( 0.00,  0.00,  0.00)
162:  3       (-13.747,   4.615, -10.582)  (-13.719,   4.643, -10.554)  ( 0.21,  0.59,  0.26)
162:     bond    (  0.559,   1.981,  -0.095)  (  0.579,   2.001,  -0.075)  ( 1.12,  0.99,  0.19)
162:     angle   ( -1.658,   7.834,  -7.537)  ( -1.651,   7.842,  -7.530)  ( 0.46,  0.10,  0.09)
162:     torsion (  0.006,  -0.002,   0.014)  (  0.006,  -0.002,   0.014)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-12.755,  -5.343,  -3.034)  (-12.755,  -5.343,  -3.034)  ( 0.00,  0.00,  0.00)
162:     electro (  0.101,   0.145,   0.071)  (  0.101,   0.145,   0.071)  ( 0.00,  0.00,  0.00)
162:  4       (-13.936,   6.910,  -9.592)  (-13.908,   6.938,  -9.565)  ( 0.20,  0.40,  0.28)
162:     bond    (  0.682,  -0.990,  -1.830)  (  0.702,  -0.970,  -1.810)  ( 1.37,  1.98,  1.08)
162:     angle   ( -1.826,   2.713, -10.797)  ( -1.818,   2.721, -10.789)  ( 0.42,  0.27,  0.07)
162:     torsion ( -0.001,   0.005,  -0.004)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-12.893,   5.316,   3.128)  (-12.892,   5.316,   3.128)  ( 0.00,  0.00,  0.00)
162:     electro (  0.101,  -0.134,  -0.090)  (  0.101,  -0.134,  -0.090)  ( 0.00,  0.00,  0.00)
162:  5       (-25.904, 128.140,  -0.201)  (-25.900, 128.153,  -0.199)  ( 0.02,  0.01,  0.05)
162:     bond    (-44.104, 124.539,  -0.001)  (-44.102, 124.552,   0.000)  ( 0.00,  0.01,  0.00)
162:     angle   (  2.105,   0.746,  -0.030)  (  2.107,   0.746,  -0.028)  ( 0.09,  0.02,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 15.081,   2.805,   0.042)  ( 15.081,   2.805,   0.042)  ( 0.00,  0.00,  0.00)
162:     electro (  1.014,   0.050,  -0.212)  (  1.014,   0.050,  -0.212)  ( 0.00,  0.00,  0.00)
162:  6       (-41.125, -62.438, 108.322)  (-41.121, -62.433, 108.332)  ( 0.01,  0.01,  0.01)
162:     bond    (-44.022, -62.301, 107.873)  (-44.020, -62.298, 107.882)  ( 0.00,  0.01,  0.01)
162:     angle   (  2.401,  -0.335,   0.787)  (  2.403,  -0.333,   0.788)  ( 0.08,  0.05,  0.05)
162:     torsion ( -0.000,   0.002,   0.001)  (  0.000,   0.002,   0.001)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.085,  -0.035,   0.060)  ( -0.085,  -0.035,   0.060)  ( 0.00,  0.00,  0.00)
162:     electro (  0.580,   0.231,  -0.400)  (  0.580,   0.231,  -0.400)  ( 0.00,  0.00,  0.00)
162:  7       (-25.293, -63.902, -111.322)  (-25.288, -63.897, -111.312)  ( 0.02,  0.01,  0.01)
162:     bond    (-44.001, -62.281, -107.920)  (-43.999, -62.278, -107.911)  ( 0.00,  0.01,  0.01)
162:     angle   (  2.450,  -0.318,  -0.818)  (  2.452,  -0.317,  -0.817)  ( 0.08,  0.05,  0.05)
162:     torsion ( -0.000,  -0.004,   0.002)  (  0.000,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 15.243,  -1.456,  -2.437)  ( 15.244,  -1.456,  -2.437)  ( 0.00,  0.00,  0.00)
162:     electro (  1.015,   0.158,  -0.150)  (  1.015,   0.158,  -0.150)  ( 0.00,  0.00,  0.00)
162:  8       (130.829,  -5.135,  -1.747)  (130.843,  -5.132,  -1.745)  ( 0.01,  0.06,  0.15)
162:     bond    (132.182,  -0.001,  -0.001)  (132.197,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
162:     angle   ( -0.000,  -2.186,  -0.045)  (  0.000,  -2.183,  -0.043)  ( 0.00,  0.10,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.859,  -2.328,  -1.348)  ( -0.859,  -2.328,  -1.348)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.495,  -0.621,  -0.353)  ( -0.495,  -0.621,  -0.353)  ( 0.00,  0.00,  0.00)
162:  9       (-47.847,  57.535, 107.082)  (-47.843,  57.540, 107.092)  ( 0.01,  0.01,  0.01)
162:     bond    (-44.022,  62.294, 107.873)  (-44.020,  62.298, 107.882)  ( 0.00,  0.01,  0.01)
162:     angle   ( -1.070,  -2.139,   0.797)  ( -1.068,  -2.137,   0.798)  ( 0.16,  0.08,  0.05)
162:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.321,  -1.993,  -1.141)  ( -2.321,  -1.993,  -1.141)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.435,  -0.628,  -0.447)  ( -0.435,  -0.628,  -0.447)  ( 0.00,  0.00,  0.00)
162: 10       (-47.394,  54.137, -107.992)  (-47.390,  54.143, -107.982)  ( 0.01,  0.01,  0.01)
162:     bond    (-43.959,  62.203, -107.816)  (-43.957,  62.206, -107.807)  ( 0.00,  0.01,  0.01)
162:     angle   ( -1.055,  -2.187,  -0.832)  ( -1.053,  -2.186,  -0.832)  ( 0.17,  0.08,  0.05)
162:     torsion (  0.004,  -0.002,  -0.003)  (  0.004,  -0.002,  -0.003)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.994,  -4.924,   0.658)  ( -1.994,  -4.924,   0.658)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.391,  -0.952,   0.001)  ( -0.391,  -0.952,   0.001)  ( 0.00,  0.00,  0.00)
162: 11       (130.831,   4.001,   3.571)  (130.845,   4.004,   3.574)  ( 0.01,  0.07,  0.08)
162:     bond    (132.183,  -0.035,  -0.070)  (132.197,  -0.035,  -0.070)  ( 0.01,  0.00,  0.00)
162:     angle   (  0.001,   1.081,   1.938)  (  0.001,   1.083,   1.940)  ( 0.00,  0.18,  0.11)
162:     torsion ( -0.000,   0.005,  -0.003)  ( -0.000,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.859,   2.334,   1.344)  ( -0.859,   2.334,   1.344)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.494,   0.616,   0.362)  ( -0.494,   0.616,   0.362)  ( 0.00,  0.00,  0.00)
162: 12       (-47.569,  66.412, -100.996)  (-47.565,  66.418, -100.985)  ( 0.01,  0.01,  0.01)
162:     bond    (-44.072,  62.288, -107.890)  (-44.070,  62.292, -107.881)  ( 0.00,  0.01,  0.01)
162:     angle   ( -1.090,   1.766,   1.465)  ( -1.088,   1.768,   1.465)  ( 0.16,  0.09,  0.05)
162:     torsion ( -0.005,  -0.004,   0.000)  ( -0.005,  -0.004,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.011,   1.886,   4.604)  ( -2.011,   1.886,   4.604)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.390,   0.475,   0.826)  ( -0.390,   0.475,   0.826)  ( 0.00,  0.00,  0.00)
162: 13       (-47.912, -121.563,   3.871)  (-47.908, -121.550,   3.874)  ( 0.01,  0.01,  0.07)
162:     bond    (-44.066, -124.643,   0.069)  (-44.064, -124.631,   0.070)  ( 0.00,  0.01,  0.00)
162:     angle   ( -1.083,   0.383,   2.316)  ( -1.082,   0.384,   2.318)  ( 0.16,  0.01,  0.09)
162:     torsion (  0.009,  -0.003,   0.005)  (  0.009,  -0.003,   0.005)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.336,   1.998,   1.161)  ( -2.336,   1.998,   1.161)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.435,   0.702,   0.320)  ( -0.435,   0.702,   0.320)  ( 0.00,  0.00,  0.00)
162: ok 10 # gradients 
162: ok 11 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (-271.138, 383.042, -663.507)  (-271.125, 383.054, -663.501)  ( 0.00,  0.00,  0.00)
162:     bond    (-217.378, 307.591, -532.902)  (-217.370, 307.598, -532.901)  ( 0.00,  0.00,  0.00)
162:     angle   (-53.753,  75.453, -130.601)  (-53.749,  75.457, -130.596)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.006,  -0.002,  -0.005)  ( -0.006,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  2       (770.692, -25.809,  44.488)  (770.715, -25.784,  44.512)  ( 0.00,  0.10,  0.05)
162:     bond    (788.238,   0.006,   0.011)  (788.254,   0.024,   0.029)  ( 0.00,  0.01,  0.02)
162:     angle   (-26.180, -28.418,  49.021)  (-26.173, -28.411,  49.028)  ( 0.03,  0.02,  0.01)
162:     torsion ( -0.000,   0.003,  -0.001)  (  0.000,   0.003,  -0.001)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  9.043,   2.698,  -4.714)  (  9.043,   2.698,  -4.714)  ( 0.00,  0.01,  0.00)
162:     electro ( -0.409,  -0.098,   0.170)  ( -0.409,  -0.098,   0.170)  ( 0.00,  0.00,  0.00)
162:  3       (-246.459, -735.886,  44.420)  (-246.434, -735.862,  44.444)  ( 0.01,  0.00,  0.05)
162:     bond    (-263.274, -743.035,  -0.093)  (-263.257, -743.019,  -0.075)  ( 0.01,  0.00,  0.16)
162:     angle   ( 35.493,  15.072,  49.043)  ( 35.500,  15.079,  49.050)  ( 0.02,  0.05,  0.01)
162:     torsion (  0.003,  -0.001,   0.006)  (  0.003,  -0.001,   0.006)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-18.922,  -8.267,  -4.707)  (-18.922,  -8.267,  -4.707)  ( 0.00,  0.00,  0.00)
162:     electro (  0.241,   0.346,   0.170)  (  0.241,   0.346,   0.170)  ( 0.00,  0.00,  0.00)
162:  4       (-246.256, 329.681, 659.355)  (-246.231, 329.705, 659.379)  ( 0.01,  0.01,  0.00)
162:     bond    (-262.685, 371.683, 643.520)  (-262.668, 371.701, 643.537)  ( 0.01,  0.00,  0.00)
162:     angle   ( 35.311, -49.918,  11.219)  ( 35.318, -49.912,  11.226)  ( 0.02,  0.01,  0.06)
162:     torsion ( -0.001,   0.002,  -0.002)  ( -0.000,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-19.122,   8.234,   4.833)  (-19.122,   8.234,   4.833)  ( 0.00,  0.00,  0.00)
162:     electro (  0.241,  -0.320,  -0.215)  (  0.241,  -0.320,  -0.215)  ( 0.00,  0.00,  0.00)
162:  5       (-11.489, 135.972,  -0.102)  (-11.484, 135.985,  -0.100)  ( 0.04,  0.01,  0.02)
162:     bond    (-45.231, 127.721,  -0.001)  (-45.228, 127.733,   0.000)  ( 0.00,  0.01,  0.00)
162:     angle   (  8.533,   3.022,  -0.030)  (  8.535,   3.022,  -0.028)  ( 0.02,  0.01,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 24.859,   5.186,   0.011)  ( 24.859,   5.186,   0.011)  ( 0.00,  0.00,  0.00)
162:     electro (  0.350,   0.044,  -0.082)  (  0.350,   0.044,  -0.082)  ( 0.00,  0.00,  0.00)
162:  6       (-36.115, -65.266, 113.222)  (-36.111, -65.261, 113.232)  ( 0.01,  0.01,  0.01)
162:     bond    (-45.146, -63.893, 110.628)  (-45.144, -63.889, 110.638)  ( 0.00,  0.01,  0.01)
162:     angle   (  8.798,  -1.462,   2.746)  (  8.800,  -1.461,   2.747)  ( 0.02,  0.10,  0.02)
162:     torsion ( -0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.037,   0.008,  -0.014)  (  0.037,   0.008,  -0.014)  ( 0.00,  0.00,  0.00)
162:     electro (  0.197,   0.081,  -0.140)  (  0.197,   0.081,  -0.140)  ( 0.00,  0.00,  0.00)
162:  7       (-10.816, -67.901, -118.066)  (-10.812, -67.896, -118.056)  ( 0.04,  0.01,  0.01)
162:     bond    (-45.125, -63.872, -110.677)  (-45.123, -63.868, -110.667)  ( 0.00,  0.01,  0.01)
162:     angle   (  8.836,  -1.443,  -2.772)  (  8.838,  -1.442,  -2.771)  ( 0.02,  0.10,  0.02)
162:     torsion ( -0.000,  -0.002,   0.001)  (  0.000,  -0.002,   0.001)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 25.121,  -2.633,  -4.539)  ( 25.122,  -2.633,  -4.539)  ( 0.00,  0.00,  0.00)
162:     electro (  0.351,   0.049,  -0.079)  (  0.351,   0.049,  -0.079)  ( 0.00,  0.00,  0.00)
162:  8       (133.977, -13.687,  -2.770)  (133.991, -13.684,  -2.767)  ( 0.01,  0.02,  0.09)
162:     bond    (135.558,  -0.001,  -0.001)  (135.572,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
162:     angle   ( -0.000,  -9.007,  -0.044)  (  0.000,  -9.005,  -0.042)  ( 0.00,  0.02,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.421,  -4.461,  -2.588)  ( -1.421,  -4.461,  -2.588)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.160,  -0.219,  -0.137)  ( -0.160,  -0.219,  -0.137)  ( 0.00,  0.00,  0.00)
162:  9       (-54.376,  52.198, 110.874)  (-54.372,  52.203, 110.884)  ( 0.01,  0.01,  0.01)
162:     bond    (-45.146,  63.885, 110.628)  (-45.144,  63.889, 110.638)  ( 0.00,  0.01,  0.01)
162:     angle   ( -4.271,  -7.796,   2.758)  ( -4.269,  -7.794,   2.759)  ( 0.04,  0.02,  0.02)
162:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.788,  -3.684,  -2.353)  ( -4.788,  -3.684,  -2.353)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.171,  -0.208,  -0.159)  ( -0.171,  -0.208,  -0.159)  ( 0.00,  0.00,  0.00)
162: 10       (-53.750,  46.610, -112.293)  (-53.747,  46.615, -112.283)  ( 0.01,  0.01,  0.01)
162:     bond    (-45.082,  63.793, -110.573)  (-45.080,  63.796, -110.563)  ( 0.00,  0.01,  0.01)
162:     angle   ( -4.250,  -7.836,  -2.789)  ( -4.249,  -7.835,  -2.788)  ( 0.04,  0.02,  0.02)
162:     torsion (  0.002,  -0.001,  -0.001)  (  0.002,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.265,  -9.021,   1.090)  ( -4.265,  -9.021,   1.090)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.155,  -0.325,  -0.020)  ( -0.155,  -0.325,  -0.020)  ( 0.00,  0.00,  0.00)
162: 11       (133.984,   9.161,  10.464)  (133.998,   9.163,  10.466)  ( 0.01,  0.03,  0.02)
162:     bond    (135.558,  -0.036,  -0.072)  (135.572,  -0.036,  -0.071)  ( 0.01,  0.00,  0.00)
162:     angle   (  0.005,   4.491,   7.842)  (  0.005,   4.493,   7.844)  ( 0.00,  0.04,  0.02)
162:     torsion ( -0.000,   0.002,  -0.001)  ( -0.000,   0.002,  -0.001)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.419,   4.476,   2.574)  ( -1.419,   4.476,   2.574)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.160,   0.228,   0.121)  ( -0.160,   0.228,   0.121)  ( 0.00,  0.00,  0.00)
162: 12       (-53.944,  73.905, -96.608)  (-53.940,  73.910, -96.597)  ( 0.01,  0.01,  0.01)
162:     bond    (-45.198,  63.879, -110.646)  (-45.196,  63.883, -110.636)  ( 0.00,  0.01,  0.01)
162:     angle   ( -4.286,   6.292,   5.384)  ( -4.284,   6.294,   5.384)  ( 0.04,  0.02,  0.01)
162:     torsion ( -0.002,  -0.002,   0.000)  ( -0.002,  -0.002,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.303,   3.555,   8.383)  ( -4.303,   3.555,   8.383)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.155,   0.180,   0.272)  ( -0.155,   0.180,   0.272)  ( 0.00,  0.00,  0.00)
162: 13       (-54.454, -122.162,  10.382)  (-54.450, -122.149,  10.385)  ( 0.01,  0.01,  0.02)
162:     bond    (-45.191, -127.826,   0.071)  (-45.189, -127.813,   0.071)  ( 0.00,  0.01,  0.00)
162:     angle   ( -4.274,   1.515,   8.186)  ( -4.272,   1.515,   8.188)  ( 0.04,  0.01,  0.02)
162:     torsion (  0.004,  -0.001,   0.002)  (  0.004,  -0.001,   0.002)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.822,   3.908,   2.023)  ( -4.822,   3.908,   2.023)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.171,   0.242,   0.100)  ( -0.171,   0.242,   0.100)  ( 0.00,  0.00,  0.00)
162: ok 12 # gradients 
162: ok 13 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (  5.260,  -5.148,  -2.361)  (  5.295,  -5.114,  -2.351)  ( 0.66,  0.67,  0.43)
162:     bond    ( 24.503, -13.273,  -6.986)  ( 24.527, -13.246,  -6.983)  ( 0.10,  0.20,  0.05)
162:     angle   (  5.776,   8.041,   2.076)  (  5.785,   8.048,   2.077)  ( 0.17,  0.09,  0.04)
162:     torsion (  0.111,  -0.262,   0.581)  (  0.111,  -0.261,   0.587)  ( 0.00,  0.02,  0.30)
162:     oop     ( -0.010,   0.041,  -0.129)  ( -0.010,   0.041,  -0.128)  ( 0.00,  0.00,  0.01)
162:     vdw     (-24.970,   0.489,   2.359)  (-24.969,   0.489,   2.359)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.150,  -0.184,  -0.263)  ( -0.150,  -0.184,  -0.263)  ( 0.00,  0.00,  0.00)
162:  2       ( 21.589,  -5.064,  -1.366)  ( 21.626,  -5.032,  -1.356)  ( 0.17,  0.65,  0.72)
162:     bond    ( 28.371, -14.839,  -6.987)  ( 28.399, -14.815,  -6.984)  ( 0.10,  0.16,  0.04)
162:     angle   (  5.127, -11.898,  -4.480)  (  5.136, -11.890,  -4.479)  ( 0.16,  0.07,  0.02)
162:     torsion ( -0.039,  -0.121,   0.555)  ( -0.039,  -0.120,   0.560)  ( 0.00,  0.01,  0.29)
162:     oop     (  0.053,  -0.261,   0.756)  (  0.053,  -0.261,   0.757)  ( 0.00,  0.00,  0.05)
162:     vdw     (-11.673,  22.514,   9.309)  (-11.673,  22.514,   9.309)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.250,  -0.460,  -0.520)  ( -0.250,  -0.460,  -0.520)  ( 0.00,  0.00,  0.00)
162:  3       (-20.508,  13.173, -15.744)  (-20.471,  13.206, -15.734)  ( 0.18,  0.25,  0.07)
162:     bond    (-12.501, -44.238, -14.912)  (-12.473, -44.215, -14.908)  ( 0.23,  0.05,  0.02)
162:     angle   (  5.010,  29.663,  10.345)  (  5.018,  29.671,  10.346)  ( 0.17,  0.03,  0.01)
162:     torsion ( -0.498,   1.296,  -4.211)  ( -0.498,   1.297,  -4.205)  ( 0.00,  0.05,  0.12)
162:     oop     ( -0.099,   0.419,  -1.199)  ( -0.098,   0.419,  -1.198)  ( 0.00,  0.00,  0.06)
162:     vdw     (-11.894,  26.583,  -4.757)  (-11.893,  26.583,  -4.756)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.527,  -0.549,  -1.012)  ( -0.527,  -0.549,  -1.012)  ( 0.00,  0.00,  0.00)
162:  4       (-74.893, -26.370, -29.390)  (-74.856, -26.335, -29.379)  ( 0.05,  0.13,  0.04)
162:     bond    (-72.784,  16.430,  10.408)  (-72.758,  16.456,  10.412)  ( 0.04,  0.16,  0.04)
162:     angle   (-19.957, -39.249, -23.098)  (-19.947, -39.241, -23.096)  ( 0.05,  0.02,  0.01)
162:     torsion ( -0.579,   1.308,  -5.329)  ( -0.579,   1.309,  -5.324)  ( 0.00,  0.06,  0.09)
162:     oop     ( -0.078,   0.279,  -0.667)  ( -0.078,   0.279,  -0.667)  ( 0.00,  0.00,  0.01)
162:     vdw     ( 17.836,  -5.464, -11.173)  ( 17.837,  -5.464, -11.173)  ( 0.00,  0.00,  0.00)
162:     electro (  0.668,   0.326,   0.469)  (  0.668,   0.326,   0.469)  ( 0.00,  0.00,  0.00)
162:  5       (-30.629,  -6.041,  27.219)  (-30.591,  -6.009,  27.229)  ( 0.12,  0.54,  0.04)
162:     bond    (-35.335,  32.570,  16.427)  (-35.307,  32.594,  16.431)  ( 0.08,  0.07,  0.02)
162:     angle   (-11.648,  -7.912,  -1.789)  (-11.639,  -7.904,  -1.788)  ( 0.07,  0.10,  0.06)
162:     torsion (  1.790,  -7.107,  18.634)  (  1.790,  -7.107,  18.639)  ( 0.00,  0.01,  0.03)
162:     oop     (  0.322,  -1.081,   3.045)  (  0.322,  -1.081,   3.045)  ( 0.00,  0.01,  0.02)
162:     vdw     ( 13.738, -22.556,  -8.840)  ( 13.738, -22.555,  -8.840)  ( 0.00,  0.00,  0.00)
162:     electro (  0.504,   0.044,  -0.258)  (  0.504,   0.044,  -0.258)  ( 0.00,  0.00,  0.00)
162:  6       ( 13.714,   4.272,  -1.854)  ( 13.751,   4.304,  -1.844)  ( 0.27,  0.77,  0.55)
162:     bond    ( 38.529,  26.713,   5.049)  ( 38.558,  26.736,   5.053)  ( 0.07,  0.09,  0.07)
162:     angle   ( -9.725,   0.549,   1.163)  ( -9.716,   0.557,   1.164)  ( 0.08,  0.45,  0.09)
162:     torsion ( -0.017,   0.655,  -0.559)  ( -0.017,   0.656,  -0.554)  ( 0.00,  0.04,  0.28)
162:     oop     ( -0.037,   0.144,  -0.360)  ( -0.037,   0.145,  -0.359)  ( 0.00,  0.00,  0.03)
162:     vdw     (-15.307, -23.860,  -6.973)  (-15.307, -23.860,  -6.973)  ( 0.00,  0.00,  0.00)
162:     electro (  0.271,   0.070,  -0.175)  (  0.271,   0.070,  -0.175)  ( 0.00,  0.00,  0.00)
162:  7       (155.062,  58.275, 140.792)  (155.097,  58.294, 140.814)  ( 0.02,  0.03,  0.02)
162:     bond    (123.692,  55.388,  93.502)  (123.718,  55.400,  93.517)  ( 0.02,  0.02,  0.02)
162:     angle   ( 50.368,  29.010,  24.472)  ( 50.376,  29.016,  24.477)  ( 0.02,  0.02,  0.02)
162:     torsion ( -8.787, -46.879,  31.890)  ( -8.786, -46.878,  31.891)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -5.248,  21.884,  -9.351)  ( -5.248,  21.885,  -9.351)  ( 0.00,  0.00,  0.00)
162:     electro ( -4.963,  -1.128,   0.280)  ( -4.963,  -1.128,   0.280)  ( 0.00,  0.00,  0.00)
162:  8       (-55.997,  21.994,  41.099)  (-55.960,  22.008,  41.133)  ( 0.07,  0.07,  0.08)
162:     bond    (-124.586, -15.539, -11.759)  (-124.560, -15.529, -11.729)  ( 0.02,  0.06,  0.25)
162:     angle   ( 60.058,  66.972,  82.045)  ( 60.068,  66.975,  82.050)  ( 0.02,  0.00,  0.01)
162:     torsion ( -3.015,  -4.995, -33.899)  ( -3.015,  -4.994, -33.900)  ( 0.00,  0.02,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  8.161, -23.778,   4.119)  (  8.161, -23.777,   4.119)  ( 0.00,  0.00,  0.00)
162:     electro (  3.385,  -0.667,   0.594)  (  3.385,  -0.667,   0.594)  ( 0.00,  0.00,  0.00)
162:  9       ( -4.626, -55.968, -86.986)  ( -4.618, -55.961, -86.966)  ( 0.17,  0.01,  0.02)
162:     bond    ( 33.790, -47.731, -90.141)  ( 33.793, -47.725, -90.122)  ( 0.01,  0.01,  0.02)
162:     angle   (-60.901, -11.446, -16.774)  (-60.898, -11.446, -16.774)  ( 0.01,  0.00,  0.00)
162:     torsion ( -1.721,  40.864, -22.286)  ( -1.721,  40.864, -22.286)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 29.386, -37.753,  45.421)  ( 29.387, -37.752,  45.422)  ( 0.00,  0.00,  0.00)
162:     electro ( -5.180,   0.098,  -3.207)  ( -5.180,   0.098,  -3.207)  ( 0.00,  0.00,  0.00)
162: 10       (875.543, -1004.615, -67.954)  (875.579, -1004.581, -67.945)  ( 0.00,  0.00,  0.01)
162:     bond    (939.244, -991.164, -28.908)  (939.277, -991.135, -28.901)  ( 0.00,  0.00,  0.02)
162:     angle   (-69.172,  -9.984, -73.622)  (-69.169,  -9.979, -73.620)  ( 0.00,  0.05,  0.00)
162:     torsion (  3.542,  -1.685,  33.660)  (  3.543,  -1.685,  33.660)  ( 0.00,  0.02,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.743,  -1.844,   0.105)  (  1.743,  -1.844,   0.105)  ( 0.00,  0.01,  0.00)
162:     electro (  0.186,   0.063,   0.811)  (  0.186,   0.063,   0.811)  ( 0.00,  0.00,  0.00)
162: 11       ( 23.100, -113.050,  57.542)  ( 23.136, -113.014,  57.549)  ( 0.15,  0.03,  0.01)
162:     bond    (-93.024, -80.287,  13.134)  (-92.999, -80.260,  13.137)  ( 0.03,  0.03,  0.03)
162:     angle   (110.080, -19.203,  59.248)  (110.089, -19.195,  59.249)  ( 0.01,  0.04,  0.00)
162:     torsion (  4.856,  -8.992, -13.058)  (  4.856,  -8.992, -13.056)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.131,  -4.357,  -2.302)  (  2.131,  -4.357,  -2.302)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.942,  -0.210,   0.520)  ( -0.942,  -0.210,   0.520)  ( 0.00,  0.00,  0.00)
162: 12       ( 15.143, -27.766, -22.308)  ( 15.177, -27.732, -22.303)  ( 0.23,  0.12,  0.02)
162:     bond    (-47.709,  41.747,  -8.556)  (-47.682,  41.771,  -8.555)  ( 0.06,  0.06,  0.01)
162:     angle   ( 61.470, -59.892,   6.134)  ( 61.477, -59.882,   6.136)  ( 0.01,  0.02,  0.03)
162:     torsion (  0.115,  -3.935, -16.158)  (  0.115,  -3.935, -16.156)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.791,  -6.546,   1.962)  ( -2.791,  -6.546,   1.962)  ( 0.00,  0.00,  0.00)
162:     electro (  4.059,   0.859,  -5.691)  (  4.059,   0.859,  -5.691)  ( 0.00,  0.00,  0.00)
162: 13       (-1137.252, -377.437, -32.765)  (-1137.216, -377.407, -32.759)  ( 0.00,  0.01,  0.02)
162:     bond    (-1094.636, -401.172, -36.735)  (-1094.607, -401.144, -36.730)  ( 0.00,  0.01,  0.01)
162:     angle   (-12.380,   1.580,  -0.589)  (-12.374,   1.581,  -0.589)  ( 0.05,  0.08,  0.01)
162:     torsion (  0.047,   0.779,   1.225)  (  0.047,   0.779,   1.226)  ( 0.00,  0.00,  0.10)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-29.960,  21.326,   3.138)  (-29.959,  21.327,   3.138)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.323,   0.049,   0.196)  ( -0.323,   0.049,   0.196)  ( 0.00,  0.00,  0.00)
162: 14       (260.439, 1601.601,  42.043)  (260.471, 1601.637,  42.053)  ( 0.01,  0.00,  0.03)
162:     bond    (272.029, 1597.553,  19.991)  (272.058, 1597.589,  20.000)  ( 0.01,  0.00,  0.05)
162:     angle   (-14.439,   2.075,   1.537)  (-14.436,   2.075,   1.537)  ( 0.02,  0.00,  0.00)
162:     torsion (  0.332,  -0.786,  20.047)  (  0.332,  -0.786,  20.048)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.662,   2.649,   0.254)  (  2.662,   2.649,   0.254)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.146,   0.111,   0.214)  ( -0.146,   0.111,   0.214)  ( 0.00,  0.00,  0.00)
162: 15       ( 57.542, -120.911, -34.639)  ( 57.578, -120.875, -34.632)  ( 0.06,  0.03,  0.02)
162:     bond    ( 48.171, -80.391,  -8.660)  ( 48.199, -80.365,  -8.659)  ( 0.06,  0.03,  0.01)
162:     angle   ( 10.637, -59.373,  -5.034)  ( 10.644, -59.363,  -5.034)  ( 0.07,  0.02,  0.00)
162:     torsion ( -2.988,  -1.203, -22.337)  ( -2.988,  -1.203, -22.332)  ( 0.00,  0.00,  0.02)
162:     oop     (  0.011,  -0.008,   0.152)  (  0.011,  -0.008,   0.152)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.570,  20.372,   1.417)  (  1.570,  20.373,   1.417)  ( 0.00,  0.00,  0.00)
162:     electro (  0.142,  -0.309,  -0.178)  (  0.142,  -0.309,  -0.178)  ( 0.00,  0.00,  0.00)
162: 16       (-56.235, -50.392,   7.997)  (-56.199, -50.355,   8.005)  ( 0.06,  0.07,  0.09)
162:     bond    ( 12.036, -78.103, -10.446)  ( 12.062, -78.076, -10.445)  ( 0.22,  0.03,  0.01)
162:     angle   (-49.064,  17.676,   7.076)  (-49.055,  17.684,   7.076)  ( 0.02,  0.05,  0.00)
162:     torsion (  0.992,  -0.564,   7.080)  (  0.992,  -0.564,   7.085)  ( 0.02,  0.01,  0.08)
162:     oop     (  0.053,  -0.039,   0.344)  (  0.053,  -0.039,   0.345)  ( 0.00,  0.00,  0.02)
162:     vdw     (-20.514,  10.870,   4.689)  (-20.513,  10.870,   4.688)  ( 0.00,  0.00,  0.00)
162:     electro (  0.261,  -0.231,  -0.745)  (  0.261,  -0.231,  -0.745)  ( 0.00,  0.00,  0.00)
162: 17       (  9.152,  29.790,   6.800)  (  9.187,  29.827,   6.808)  ( 0.38,  0.13,  0.11)
162:     bond    ( 27.062,  61.293,   3.726)  ( 27.088,  61.322,   3.727)  ( 0.09,  0.05,  0.03)
162:     angle   ( 11.473, -19.158,  -4.514)  ( 11.482, -19.150,  -4.513)  ( 0.08,  0.04,  0.00)
162:     torsion (  0.986,  -0.675,   6.162)  (  0.986,  -0.675,   6.167)  ( 0.01,  0.00,  0.09)
162:     oop     ( -0.012,   0.009,  -0.074)  ( -0.012,   0.009,  -0.073)  ( 0.00,  0.00,  0.01)
162:     vdw     (-30.693, -11.779,   1.910)  (-30.693, -11.779,   1.910)  ( 0.00,  0.00,  0.00)
162:     electro (  0.336,   0.100,  -0.410)  (  0.336,   0.100,  -0.410)  ( 0.00,  0.00,  0.00)
162: 18       (-10.892,   2.830,   3.149)  (-10.855,   2.865,   3.156)  ( 0.34,  1.22,  0.23)
162:     bond    (-26.108,  11.489,   3.751)  (-26.079,  11.513,   3.752)  ( 0.11,  0.21,  0.02)
162:     angle   ( 17.655,  11.443,  -0.386)  ( 17.663,  11.452,  -0.386)  ( 0.05,  0.08,  0.01)
162:     torsion (  0.023,  -0.004,   0.922)  (  0.023,  -0.004,   0.928)  ( 0.00,  0.00,  0.52)
162:     oop     (  0.054,  -0.057,   0.611)  (  0.054,  -0.057,   0.612)  ( 0.00,  0.00,  0.05)
162:     vdw     ( -2.621, -20.472,  -1.573)  ( -2.621, -20.472,  -1.573)  ( 0.00,  0.00,  0.00)
162:     electro (  0.104,   0.432,  -0.177)  (  0.104,   0.432,  -0.177)  ( 0.00,  0.00,  0.00)
162: 19       ( -6.706,  41.818,   5.067)  ( -6.670,  41.854,   5.074)  ( 0.53,  0.09,  0.14)
162:     bond    ( 14.817,  44.410,   2.107)  ( 14.843,  44.438,   2.107)  ( 0.18,  0.06,  0.02)
162:     angle   (-43.553,  13.281,   5.879)  (-43.544,  13.290,   5.879)  ( 0.02,  0.06,  0.00)
162:     torsion (  0.360,  -0.156,   1.756)  (  0.360,  -0.156,   1.761)  ( 0.00,  0.00,  0.32)
162:     oop     ( -0.056,   0.054,  -0.676)  ( -0.056,   0.054,  -0.675)  ( 0.00,  0.00,  0.05)
162:     vdw     ( 21.895, -15.986,  -3.850)  ( 21.895, -15.985,  -3.850)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.168,   0.214,  -0.149)  ( -0.168,   0.214,  -0.149)  ( 0.00,  0.00,  0.00)
162: 20       ( 33.861, -14.075,  -4.471)  ( 33.896, -14.037,  -4.464)  ( 0.10,  0.27,  0.17)
162:     bond    (-68.040,   7.618,   7.671)  (-68.016,   7.647,   7.672)  ( 0.04,  0.38,  0.01)
162:     angle   ( 76.836, -12.707,  -9.348)  ( 76.845, -12.699,  -9.347)  ( 0.01,  0.06,  0.00)
162:     torsion (  0.614,   0.590,   2.084)  (  0.614,   0.590,   2.090)  ( 0.00,  0.00,  0.27)
162:     oop     ( -0.077,   0.050,  -0.633)  ( -0.077,   0.050,  -0.633)  ( 0.00,  0.00,  0.04)
162:     vdw     ( 24.478,  -9.518,  -4.065)  ( 24.478,  -9.517,  -4.065)  ( 0.00,  0.01,  0.00)
162:     electro (  0.052,  -0.108,  -0.180)  (  0.052,  -0.108,  -0.180)  ( 0.00,  0.00,  0.00)
162: 21       (-75.195, -94.709, -19.957)  (-75.167, -94.680, -19.932)  ( 0.04,  0.03,  0.13)
162:     bond    ( 19.062, -134.756,  15.494)  ( 19.079, -134.736,  15.511)  ( 0.09,  0.02,  0.11)
162:     angle   (-89.681,  26.976, -66.234)  (-89.670,  26.985, -66.227)  ( 0.01,  0.03,  0.01)
162:     torsion ( -3.611,   9.328,  32.657)  ( -3.611,   9.329,  32.658)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.154,   3.733,  -1.804)  ( -1.154,   3.733,  -1.804)  ( 0.01,  0.00,  0.00)
162:     electro (  0.189,   0.010,  -0.070)  (  0.189,   0.010,  -0.070)  ( 0.00,  0.00,  0.00)
162: 22       (-43.849,  35.946,  22.482)  (-43.823,  35.972,  22.509)  ( 0.06,  0.07,  0.12)
162:     bond    ( -1.607,  16.616,   5.991)  ( -1.588,  16.634,   6.010)  ( 1.16,  0.11,  0.31)
162:     angle   (-44.070,  -0.727,  18.021)  (-44.063,  -0.719,  18.029)  ( 0.02,  0.57,  0.05)
162:     torsion (  0.893,  -0.137,   1.141)  (  0.893,  -0.137,   1.141)  ( 0.01,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.119,  19.447,  -1.705)  (  0.119,  19.448,  -1.705)  ( 0.00,  0.00,  0.00)
162:     electro (  0.815,   0.747,  -0.966)  (  0.815,   0.747,  -0.966)  ( 0.00,  0.00,  0.00)
162: 23       ( 40.128,  62.376, -18.735)  ( 40.155,  62.403, -18.709)  ( 0.07,  0.04,  0.14)
162:     bond    (  7.688,  25.680,  -0.842)  (  7.706,  25.698,  -0.823)  ( 0.23,  0.07,  1.60)
162:     angle   ( 45.824,   9.442,  -7.751)  ( 45.832,   9.449,  -7.744)  ( 0.02,  0.08,  0.09)
162:     torsion (  1.073,  -0.468,   3.006)  (  1.073,  -0.468,   3.006)  ( 0.01,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-15.139,  27.642, -12.904)  (-15.139,  27.642, -12.904)  ( 0.00,  0.00,  0.00)
162:     electro (  0.683,   0.081,  -0.245)  (  0.683,   0.081,  -0.245)  ( 0.00,  0.00,  0.00)
162: 24       (-35.350,  24.158, -20.842)  (-35.322,  24.186, -20.816)  ( 0.08,  0.12,  0.12)
162:     bond    (-17.074, -20.890,   6.795)  (-17.055, -20.874,   6.814)  ( 0.11,  0.08,  0.28)
162:     angle   (-34.211,  74.889, -31.291)  (-34.202,  74.900, -31.285)  ( 0.03,  0.01,  0.02)
162:     torsion (  0.030,  -0.597,  -2.797)  (  0.030,  -0.597,  -2.797)  ( 0.00,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 15.941, -29.333,   6.141)  ( 15.941, -29.332,   6.141)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.036,   0.090,   0.311)  ( -0.036,   0.090,   0.311)  ( 0.00,  0.00,  0.00)
162: 25       ( -4.005, -35.757,   9.757)  ( -3.978, -35.729,   9.783)  ( 0.68,  0.08,  0.27)
162:     bond    (-19.308, -21.655,   3.878)  (-19.290, -21.638,   3.896)  ( 0.09,  0.08,  0.48)
162:     angle   (-12.970, -44.781,  10.202)  (-12.962, -44.772,  10.210)  ( 0.07,  0.02,  0.08)
162:     torsion (  0.291,  -1.681,  -0.670)  (  0.291,  -1.681,  -0.669)  ( 0.00,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 28.060,  32.404,  -3.626)  ( 28.061,  32.404,  -3.626)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.078,  -0.042,  -0.027)  ( -0.078,  -0.042,  -0.027)  ( 0.00,  0.00,  0.00)
162: 26       (-12.718,  32.035, -17.139)  (-12.693,  32.063, -17.112)  ( 0.20,  0.09,  0.16)
162:     bond    ( 26.194,  -4.992, -20.042)  ( 26.211,  -4.974, -20.024)  ( 0.06,  0.36,  0.09)
162:     angle   (-34.739,  37.730,  -1.113)  (-34.730,  37.740,  -1.104)  ( 0.02,  0.03,  0.80)
162:     torsion ( -1.357,   1.201,   3.532)  ( -1.357,   1.201,   3.533)  ( 0.00,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.664,  -2.061,  -0.071)  ( -2.664,  -2.061,  -0.071)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.152,   0.156,   0.554)  ( -0.152,   0.156,   0.554)  ( 0.00,  0.00,  0.00)
162: 27       (-21.880, -34.632,  -0.479)  (-21.853, -34.605,  -0.453)  ( 0.12,  0.08,  1.27)
162:     bond    (-14.761,  -7.627,  -1.929)  (-14.743,  -7.610,  -1.910)  ( 0.12,  0.23,  0.95)
162:     angle   (-11.619, -28.651,  -4.838)  (-11.610, -28.642,  -4.830)  ( 0.07,  0.03,  0.16)
162:     torsion (  0.246,  -1.631,   2.532)  (  0.246,  -1.631,   2.532)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.254,   3.276,   3.753)  (  4.254,   3.276,   3.753)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.001,   0.001,   0.002)  ( -0.001,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
162: 28       (-68.563,   7.677,  62.614)  (-68.536,   7.704,  62.641)  ( 0.04,  0.35,  0.04)
162:     bond    ( -6.862,  14.567,  27.689)  ( -6.845,  14.586,  27.706)  ( 0.25,  0.13,  0.06)
162:     angle   (-56.818,  -9.228,  33.605)  (-56.808,  -9.219,  33.614)  ( 0.02,  0.09,  0.03)
162:     torsion ( -0.326,   6.423,   2.908)  ( -0.326,   6.423,   2.908)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.961,  -4.071,  -1.336)  ( -6.960,  -4.071,  -1.336)  ( 0.01,  0.00,  0.00)
162:     electro (  2.404,  -0.015,  -0.252)  (  2.404,  -0.015,  -0.252)  ( 0.00,  0.00,  0.00)
162: 29       ( 97.566,  39.234,  49.639)  ( 97.592,  39.261,  49.667)  ( 0.03,  0.07,  0.06)
162:     bond    ( 38.958,   1.760, -15.397)  ( 38.975,   1.780, -15.379)  ( 0.04,  1.10,  0.12)
162:     angle   ( 47.662,  38.092,  64.344)  ( 47.671,  38.100,  64.354)  ( 0.02,  0.02,  0.01)
162:     torsion ( -0.571,  -2.671,   1.376)  ( -0.571,  -2.671,   1.376)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 11.548,   2.593,   0.651)  ( 11.548,   2.593,   0.651)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.031,  -0.541,  -1.335)  ( -0.031,  -0.541,  -1.335)  ( 0.00,  0.00,  0.00)
162: 30       (-211.241,   2.375, -460.366)  (-211.218,   2.392, -460.326)  ( 0.01,  0.73,  0.01)
162:     bond    (-93.984, 105.320, -344.512)  (-93.969, 105.332, -344.479)  ( 0.02,  0.01,  0.01)
162:     angle   (-135.067, -96.566, -99.825)  (-135.060, -96.561, -99.819)  ( 0.01,  0.01,  0.01)
162:     torsion (  3.176,  -4.069,   1.071)  (  3.176,  -4.069,   1.071)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 11.760,  -1.588,  -9.710)  ( 11.761,  -1.588,  -9.710)  ( 0.00,  0.00,  0.00)
162:     electro (  2.875,  -0.722,  -7.390)  (  2.875,  -0.723,  -7.390)  ( 0.00,  0.00,  0.00)
162: 31       ( 84.573, -65.899, 260.818)  ( 84.577, -65.890, 260.838)  ( 0.00,  0.01,  0.01)
162:     bond    (-23.042, -129.937, 215.320)  (-23.041, -129.929, 215.340)  ( 0.01,  0.01,  0.01)
162:     angle   (104.345,  56.237,  45.097)  (104.348,  56.238,  45.097)  ( 0.00,  0.00,  0.00)
162:     torsion ( -1.582,   2.176,   1.144)  ( -1.582,   2.176,   1.144)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  7.150,   6.735,  -1.246)  (  7.150,   6.735,  -1.246)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.298,  -1.110,   0.503)  ( -2.298,  -1.110,   0.503)  ( 0.00,  0.00,  0.00)
162: 32       (153.921,  45.857, 101.832)  (153.929,  45.858, 101.846)  ( 0.01,  0.00,  0.01)
162:     bond    ( 88.385,   2.775, 131.073)  ( 88.390,   2.774, 131.086)  ( 0.01,  0.02,  0.01)
162:     angle   ( 29.465,  35.231, -20.615)  ( 29.466,  35.233, -20.614)  ( 0.00,  0.00,  0.00)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 40.401,   7.952, -10.988)  ( 40.402,   7.952, -10.988)  ( 0.00,  0.00,  0.00)
162:     electro ( -4.330,  -0.101,   2.362)  ( -4.330,  -0.101,   2.362)  ( 0.00,  0.00,  0.00)
162: 33       ( 34.599,   8.773,  17.015)  ( 34.601,   8.792,  17.029)  ( 0.01,  0.23,  0.09)
162:     bond    ( -0.931,  -0.094,  13.188)  ( -0.931,  -0.076,  13.198)  ( 0.00,  0.17,  0.08)
162:     angle   ( 37.679,  -5.459,   3.706)  ( 37.681,  -5.457,   3.710)  ( 0.01,  0.03,  0.12)
162:     torsion ( -2.198,   0.487,  -0.359)  ( -2.198,   0.487,  -0.359)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.106,  13.218,   8.037)  (  6.106,  13.219,   8.037)  ( 0.01,  0.00,  0.00)
162:     electro ( -6.057,   0.619,  -7.557)  ( -6.057,   0.619,  -7.557)  ( 0.00,  0.00,  0.00)
162: 34       ( 33.130,   5.463, -20.134)  ( 33.150,   5.466, -20.118)  ( 0.06,  0.05,  0.08)
162:     bond    ( 36.819,   7.564, -22.250)  ( 36.835,   7.564, -22.238)  ( 0.04,  0.01,  0.06)
162:     angle   ( 20.113,   0.836, -26.169)  ( 20.115,   0.838, -26.166)  ( 0.01,  0.17,  0.01)
162:     torsion (  0.873,  -4.115,  -0.376)  (  0.873,  -4.115,  -0.376)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-19.554,   7.633,  28.136)  (-19.553,   7.633,  28.136)  ( 0.01,  0.00,  0.00)
162:     electro ( -5.121,  -6.454,   0.526)  ( -5.121,  -6.454,   0.526)  ( 0.00,  0.00,  0.00)
162: 35       ( -1.397,  -2.301,  -2.598)  ( -1.382,  -2.298,  -2.596)  ( 1.02,  0.14,  0.07)
162:     bond    ( -0.207,   0.003,   0.020)  ( -0.193,   0.003,   0.021)  ( 0.30,  0.00,  0.00)
162:     angle   ( -0.154,  -3.078,  -1.048)  ( -0.154,  -3.075,  -1.048)  ( 0.00,  0.10,  0.03)
162:     torsion ( -0.177,   0.616,  -1.738)  ( -0.177,   0.616,  -1.737)  ( 0.00,  0.01,  0.07)
162:     oop     ( -0.010,   0.032,  -0.094)  ( -0.010,   0.032,  -0.094)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.430,   0.011,   0.053)  ( -0.430,   0.011,   0.053)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.419,   0.115,   0.210)  ( -0.419,   0.115,   0.210)  ( 0.00,  0.00,  0.00)
162: 36       ( -3.638,  -2.095,   2.460)  ( -3.633,  -2.084,   2.463)  ( 0.16,  0.52,  0.11)
162:     bond    ( -0.077,   0.125,   0.050)  ( -0.074,   0.135,   0.052)  ( 0.02,  0.13,  0.01)
162:     angle   ( -4.012,  -2.038,  -0.376)  ( -4.009,  -2.037,  -0.376)  ( 0.07,  0.03,  0.00)
162:     torsion (  0.205,  -0.846,   2.500)  (  0.205,  -0.846,   2.501)  ( 0.00,  0.01,  0.05)
162:     oop     ( -0.015,   0.069,  -0.201)  ( -0.015,   0.069,  -0.201)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.199,   0.358,   0.149)  ( -0.199,   0.358,   0.149)  ( 0.00,  0.00,  0.00)
162:     electro (  0.459,   0.237,   0.338)  (  0.459,   0.237,   0.338)  ( 0.00,  0.00,  0.00)
162: 37       ( -2.211,  -0.190,  -2.679)  ( -2.204,  -0.179,  -2.676)  ( 0.31,  0.20,  0.09)
162:     bond    (  0.399,   0.635,   0.185)  (  0.403,   0.645,   0.186)  ( 0.15,  0.62,  0.02)
162:     angle   ( 13.594,  -7.458,  -3.603)  ( 13.596,  -7.457,  -3.603)  ( 0.02,  0.01,  0.01)
162:     torsion (  0.415,  -1.567,   4.535)  (  0.415,  -1.567,   4.536)  ( 0.00,  0.01,  0.03)
162:     oop     (  0.038,  -0.140,   0.405)  (  0.038,  -0.140,   0.406)  ( 0.00,  0.00,  0.00)
162:     vdw     (-17.930,   8.881,  -5.857)  (-17.930,   8.881,  -5.856)  ( 0.00,  0.00,  0.00)
162:     electro (  1.275,  -0.541,   1.656)  (  1.275,  -0.541,   1.656)  ( 0.00,  0.00,  0.00)
162: 38       (  9.311,   1.352,  -6.637)  (  9.316,   1.363,  -6.634)  ( 0.06,  0.81,  0.04)
162:     bond    (  1.512,  -2.888,  -1.076)  (  1.515,  -2.878,  -1.074)  ( 0.19,  0.35,  0.13)
162:     angle   ( 10.740,   5.305,   0.937)  ( 10.743,   5.306,   0.937)  ( 0.03,  0.01,  0.00)
162:     torsion ( -0.305,   1.578,  -4.657)  ( -0.305,   1.578,  -4.656)  ( 0.00,  0.01,  0.03)
162:     oop     ( -0.137,   0.409,  -1.289)  ( -0.137,   0.409,  -1.289)  ( 0.00,  0.00,  0.01)
162:     vdw     ( -1.519,  -2.932,  -0.753)  ( -1.519,  -2.932,  -0.753)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.980,  -0.120,   0.202)  ( -0.980,  -0.120,   0.202)  ( 0.00,  0.00,  0.00)
162: 39       (  1.298,  -0.194,  -7.079)  (  1.305,  -0.183,  -7.077)  ( 0.51,  0.21,  0.03)
162:     bond    ( -0.224,  -0.345,  -0.086)  ( -0.220,  -0.335,  -0.086)  ( 0.09,  0.33,  0.01)
162:     angle   (  2.452,  -1.417,  -0.765)  (  2.455,  -1.417,  -0.765)  ( 0.10,  0.06,  0.02)
162:     torsion ( -0.666,   1.960,  -5.949)  ( -0.666,   1.960,  -5.948)  ( 0.00,  0.01,  0.02)
162:     oop     ( -0.029,   0.088,  -0.271)  ( -0.029,   0.088,  -0.271)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.201,  -0.365,  -0.080)  ( -0.201,  -0.365,  -0.080)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.034,  -0.115,   0.073)  ( -0.034,  -0.115,   0.073)  ( 0.00,  0.00,  0.00)
162: 40       (-27.304,  17.741, -19.481)  (-27.298,  17.750, -19.474)  ( 0.02,  0.05,  0.04)
162:     bond    ( -4.047,   6.668,   5.962)  ( -4.044,   6.676,   5.968)  ( 0.07,  0.12,  0.11)
162:     angle   (-32.259,  -8.720, -12.106)  (-32.256,  -8.719, -12.106)  ( 0.01,  0.00,  0.00)
162:     torsion (  6.889,  17.653, -15.079)  (  6.889,  17.653, -15.078)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.215,  -0.181,   0.385)  (  0.215,  -0.181,   0.385)  ( 0.00,  0.00,  0.00)
162:     electro (  1.899,   2.322,   1.356)  (  1.899,   2.322,   1.356)  ( 0.00,  0.00,  0.00)
162: 41       (-10.604, -14.059,  10.085)  (-10.592, -14.053,  10.085)  ( 0.11,  0.05,  0.01)
162:     bond    ( 13.925,  -8.026,   2.285)  ( 13.936,  -8.022,   2.285)  ( 0.08,  0.04,  0.01)
162:     angle   ( -0.807,  -1.358,   0.155)  ( -0.806,  -1.357,   0.156)  ( 0.04,  0.10,  0.00)
162:     torsion (  0.151,  -0.329,  -2.076)  (  0.151,  -0.329,  -2.076)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-22.770,  -3.334,   8.228)  (-22.769,  -3.333,   8.228)  ( 0.00,  0.04,  0.00)
162:     electro ( -1.103,  -1.013,   1.492)  ( -1.103,  -1.013,   1.492)  ( 0.00,  0.00,  0.00)
162: 42       (  0.370,   6.728,  -6.496)  (  0.381,   6.735,  -6.494)  ( 0.40,  0.11,  0.03)
162:     bond    (-12.221,   8.165,   2.759)  (-12.211,   8.170,   2.760)  ( 0.08,  0.05,  0.02)
162:     angle   ( 12.308,  18.327,   0.205)  ( 12.309,  18.329,   0.205)  ( 0.01,  0.01,  0.00)
162:     torsion ( -2.872,   2.247, -19.362)  ( -2.872,   2.247, -19.361)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.023,   0.017,  -0.155)  ( -0.023,   0.017,  -0.154)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.920, -22.664,   8.579)  (  3.920, -22.664,   8.579)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.741,   0.636,   1.477)  ( -0.741,   0.636,   1.477)  ( 0.00,  0.00,  0.00)
162: 43       ( -2.306,   1.427,   5.607)  ( -2.294,   1.432,   5.609)  ( 0.55,  0.36,  0.03)
162:     bond    ( -0.821,  -0.350,   0.047)  ( -0.809,  -0.347,   0.047)  ( 1.00,  0.08,  0.00)
162:     angle   ( -1.083,   2.567,   0.368)  ( -1.083,   2.570,   0.368)  ( 0.05,  0.11,  0.00)
162:     torsion (  0.510,  -0.522,   4.938)  (  0.510,  -0.522,   4.939)  ( 0.00,  0.00,  0.03)
162:     oop     ( -0.007,   0.007,  -0.067)  ( -0.007,   0.007,  -0.067)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.522,  -0.099,  -0.057)  ( -0.522,  -0.099,  -0.057)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.384,  -0.177,   0.379)  ( -0.384,  -0.177,   0.379)  ( 0.00,  0.00,  0.00)
162: 44       ( -5.986,  -2.975,   2.681)  ( -5.983,  -2.961,   2.682)  ( 0.06,  0.48,  0.06)
162:     bond    ( -0.296,  -2.388,  -0.213)  ( -0.295,  -2.374,  -0.213)  ( 0.01,  0.59,  0.00)
162:     angle   ( -5.715,   0.653,   0.641)  ( -5.711,   0.653,   0.641)  ( 0.06,  0.00,  0.00)
162:     torsion (  0.220,  -0.241,   2.378)  (  0.220,  -0.241,   2.380)  ( 0.00,  0.00,  0.06)
162:     oop     ( -0.015,   0.016,  -0.163)  ( -0.015,   0.016,  -0.163)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.067,  -0.429,  -0.052)  ( -0.067,  -0.429,  -0.052)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.113,  -0.587,   0.089)  ( -0.113,  -0.587,   0.089)  ( 0.00,  0.00,  0.00)
162: 45       ( -4.994,  -6.103,  -3.487)  ( -4.984,  -6.096,  -3.486)  ( 0.21,  0.12,  0.05)
162:     bond    ( -0.789,   0.563,   0.120)  ( -0.780,   0.568,   0.120)  ( 0.73,  0.28,  0.00)
162:     angle   ( -4.396,  -6.013,  -0.114)  ( -4.395,  -6.011,  -0.114)  ( 0.03,  0.04,  0.00)
162:     torsion ( -0.359,   0.325,  -3.865)  ( -0.359,   0.325,  -3.864)  ( 0.00,  0.00,  0.04)
162:     oop     (  0.031,  -0.024,   0.318)  (  0.031,  -0.024,   0.318)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.303,  -0.582,  -0.053)  (  0.303,  -0.582,  -0.053)  ( 0.00,  0.00,  0.00)
162:     electro (  0.216,  -0.371,   0.107)  (  0.216,  -0.371,   0.107)  ( 0.00,  0.00,  0.00)
162: 46       ( -7.361,  -5.194,  -4.599)  ( -7.348,  -5.189,  -4.597)  ( 0.18,  0.11,  0.03)
162:     bond    (  2.238,   0.795,  -0.211)  (  2.250,   0.797,  -0.210)  ( 0.57,  0.13,  0.00)
162:     angle   (-10.695,  31.175,   3.704)  (-10.695,  31.178,   3.704)  ( 0.00,  0.01,  0.00)
162:     torsion ( -0.176,   0.042,  -1.728)  ( -0.176,   0.042,  -1.727)  ( 0.00,  0.00,  0.08)
162:     oop     (  0.041,  -0.027,   0.336)  (  0.041,  -0.027,   0.336)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.682, -36.672,  -6.719)  (  1.682, -36.671,  -6.719)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.450,  -0.507,   0.018)  ( -0.450,  -0.507,   0.018)  ( 0.00,  0.00,  0.00)
162: 47       (  4.005,  15.631,  18.729)  (  4.010,  15.635,  18.741)  ( 0.12,  0.02,  0.06)
162:     bond    (  9.903,   3.121,  20.511)  (  9.906,   3.121,  20.522)  ( 0.03,  0.01,  0.05)
162:     angle   ( -5.970,  10.337,   1.308)  ( -5.968,  10.340,   1.308)  ( 0.03,  0.03,  0.04)
162:     torsion (  0.647,   3.917,  -0.908)  (  0.647,   3.917,  -0.908)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.318,  -1.545,  -2.238)  ( -0.318,  -1.545,  -2.238)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.257,  -0.199,   0.056)  ( -0.257,  -0.199,   0.056)  ( 0.00,  0.00,  0.00)
162: 48       (  9.842,  10.206,  -5.039)  (  9.854,  10.212,  -5.036)  ( 0.12,  0.05,  0.05)
162:     bond    ( -2.986,  -1.468,  -0.385)  ( -2.974,  -1.465,  -0.385)  ( 0.38,  0.18,  0.01)
162:     angle   ( 10.696, -22.969,   4.762)  ( 10.696, -22.967,   4.764)  ( 0.00,  0.01,  0.05)
162:     torsion (  1.009,  -2.897,   3.227)  (  1.009,  -2.897,   3.227)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.209,  38.024, -13.364)  (  1.209,  38.025, -13.364)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.087,  -0.483,   0.722)  ( -0.087,  -0.483,   0.722)  ( 0.00,  0.00,  0.00)
162: 49       (  4.853,  -4.015,  -5.505)  (  4.856,  -4.013,  -5.491)  ( 0.07,  0.05,  0.24)
162:     bond    ( -1.510,   0.203,  -5.553)  ( -1.509,   0.203,  -5.539)  ( 0.07,  0.00,  0.24)
162:     angle   (  5.932,  -9.411,  -1.962)  (  5.934,  -9.409,  -1.962)  ( 0.04,  0.02,  0.01)
162:     torsion (  1.808,   3.507,  -0.364)  (  1.808,   3.507,  -0.364)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.168,   2.278,   2.124)  ( -1.168,   2.278,   2.124)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.210,  -0.592,   0.251)  ( -0.210,  -0.592,   0.251)  ( 0.00,  0.00,  0.00)
162: 50       (  6.321, -10.163,   5.748)  (  6.324, -10.150,   5.751)  ( 0.05,  0.13,  0.05)
162:     bond    (  2.117, -12.995,   3.296)  (  2.118, -12.982,   3.297)  ( 0.02,  0.10,  0.03)
162:     angle   ( 23.690,   2.886,  -3.858)  ( 23.692,   2.886,  -3.856)  ( 0.01,  0.01,  0.06)
162:     torsion ( -2.667,  -1.040,  -2.383)  ( -2.667,  -1.040,  -2.383)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-16.674,   1.224,   8.402)  (-16.674,   1.224,   8.402)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.144,  -0.238,   0.291)  ( -0.144,  -0.238,   0.291)  ( 0.00,  0.00,  0.00)
162: 51       (-11.159,   0.824,   1.383)  (-11.152,   0.828,   1.391)  ( 0.07,  0.31,  0.61)
162:     bond    (  1.143,  -0.477,  -1.327)  (  1.148,  -0.476,  -1.320)  ( 0.50,  0.05,  0.56)
162:     angle   (  5.083, -23.043,  12.744)  (  5.085, -23.041,  12.745)  ( 0.03,  0.01,  0.01)
162:     torsion (  1.056,  -0.829,   1.218)  (  1.056,  -0.829,   1.218)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-18.079,  25.401, -11.494)  (-18.079,  25.401, -11.494)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.361,  -0.226,   0.242)  ( -0.361,  -0.226,   0.242)  ( 0.00,  0.00,  0.00)
162: 52       (  1.887, -12.873,   2.635)  (  1.891, -12.862,   2.638)  ( 0.25,  0.09,  0.13)
162:     bond    (  5.865, -12.571,   4.407)  (  5.867, -12.561,   4.409)  ( 0.04,  0.08,  0.03)
162:     angle   (-16.261,  -5.126,   7.034)  (-16.259,  -5.126,   7.035)  ( 0.01,  0.01,  0.03)
162:     torsion (  0.084,  -0.277,  -0.902)  (  0.084,  -0.277,  -0.902)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 12.154,   5.201,  -8.000)  ( 12.154,   5.201,  -7.999)  ( 0.00,  0.00,  0.00)
162:     electro (  0.045,  -0.099,   0.095)  (  0.045,  -0.099,   0.095)  ( 0.00,  0.00,  0.00)
162: 53       ( -4.015,  -6.216,  -4.357)  ( -4.010,  -6.213,  -4.346)  ( 0.14,  0.05,  0.25)
162:     bond    ( -2.836,  -1.117,  -4.722)  ( -2.832,  -1.116,  -4.712)  ( 0.13,  0.05,  0.21)
162:     angle   (  3.989, -18.137,   1.897)  (  3.991, -18.135,   1.898)  ( 0.04,  0.01,  0.04)
162:     torsion ( -0.395,   0.435,   0.134)  ( -0.395,   0.435,   0.134)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.529,  12.962,  -1.841)  ( -4.529,  12.962,  -1.841)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.244,  -0.358,   0.175)  ( -0.244,  -0.358,   0.175)  ( 0.00,  0.00,  0.00)
162: 54       ( 22.763,   4.803,  12.149)  ( 22.766,   4.808,  12.161)  ( 0.01,  0.10,  0.10)
162:     bond    (  0.180,   1.829,  -4.169)  (  0.180,   1.831,  -4.157)  ( 0.00,  0.12,  0.28)
162:     angle   (  0.722,  24.102,  10.649)  (  0.724,  24.104,  10.649)  ( 0.19,  0.01,  0.00)
162:     torsion (  0.581,   0.985,   0.459)  (  0.581,   0.985,   0.459)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 21.197, -22.786,   4.730)  ( 21.197, -22.785,   4.730)  ( 0.00,  0.00,  0.00)
162:     electro (  0.083,   0.673,   0.480)  (  0.083,   0.673,   0.480)  ( 0.00,  0.00,  0.00)
162: 55       ( 21.127,   4.033,  -4.874)  ( 21.130,   4.041,  -4.866)  ( 0.01,  0.21,  0.16)
162:     bond    (  0.015,  -0.237,  -0.235)  (  0.015,  -0.230,  -0.228)  ( 0.00,  0.17,  0.16)
162:     angle   ( 17.782,  11.471, -10.444)  ( 17.784,  11.472, -10.444)  ( 0.01,  0.01,  0.01)
162:     torsion ( -0.521,  -0.663,   0.636)  ( -0.521,  -0.663,   0.636)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.327,  -6.987,   3.715)  (  2.327,  -6.987,   3.715)  ( 0.01,  0.00,  0.00)
162:     electro (  1.525,   0.449,   1.454)  (  1.525,   0.449,   1.454)  ( 0.00,  0.00,  0.00)
162: 56       (  3.908,   1.796, -13.266)  (  3.911,   1.802, -13.254)  ( 0.08,  0.30,  0.09)
162:     bond    (  0.874,   8.800, -15.941)  (  0.874,   8.804, -15.930)  ( 0.01,  0.04,  0.07)
162:     angle   ( -5.575,  -7.591,  -4.500)  ( -5.572,  -7.589,  -4.500)  ( 0.04,  0.02,  0.01)
162:     torsion (  1.423,  -0.373,  -0.128)  (  1.423,  -0.373,  -0.128)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  7.032,   0.080,   6.647)  (  7.033,   0.080,   6.647)  ( 0.01,  0.00,  0.00)
162:     electro (  0.153,   0.879,   0.657)  (  0.153,   0.879,   0.657)  ( 0.00,  0.00,  0.00)
162: 57       ( -0.993,   9.172,   6.879)  ( -0.990,   9.180,   6.888)  ( 0.32,  0.09,  0.12)
162:     bond    ( -0.691,  10.301,  11.010)  ( -0.691,  10.308,  11.018)  ( 0.01,  0.06,  0.07)
162:     angle   (  1.902,  -2.517,   2.472)  (  1.905,  -2.516,   2.473)  ( 0.13,  0.04,  0.04)
162:     torsion ( -1.228,   1.073,  -1.081)  ( -1.228,   1.073,  -1.081)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.546,   0.031,  -5.692)  ( -0.545,   0.031,  -5.692)  ( 0.03,  0.00,  0.00)
162:     electro ( -0.430,   0.284,   0.170)  ( -0.430,   0.284,   0.170)  ( 0.00,  0.00,  0.00)
162: 58       ( -3.180, -10.598,   1.768)  ( -3.177, -10.591,   1.778)  ( 0.08,  0.07,  0.56)
162:     bond    ( -0.166,  -6.219,   7.992)  ( -0.166,  -6.213,   8.001)  ( 0.00,  0.09,  0.11)
162:     angle   ( -4.819,  -4.069,  -3.260)  ( -4.816,  -4.067,  -3.259)  ( 0.05,  0.04,  0.03)
162:     torsion (  1.374,  -1.374,  -1.038)  (  1.374,  -1.374,  -1.038)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.903,   1.531,  -0.692)  (  0.903,   1.531,  -0.692)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.471,  -0.467,  -1.234)  ( -0.471,  -0.467,  -1.234)  ( 0.00,  0.00,  0.00)
162: 59       ( -1.672,  -1.065, -14.649)  ( -1.669,  -1.057, -14.640)  ( 0.19,  0.73,  0.06)
162:     bond    (  1.255,  11.287, -12.325)  (  1.255,  11.294, -12.318)  ( 0.01,  0.06,  0.06)
162:     angle   ( -0.945,   0.841,   0.675)  ( -0.942,   0.842,   0.676)  ( 0.24,  0.09,  0.06)
162:     torsion (  2.095,  -1.868,  -1.500)  (  2.095,  -1.868,  -1.500)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.139, -11.853,  -2.429)  ( -4.138, -11.853,  -2.428)  ( 0.01,  0.00,  0.00)
162:     electro (  0.062,   0.529,   0.929)  (  0.062,   0.529,   0.929)  ( 0.00,  0.00,  0.00)
162: 60       (  4.180,   0.851,  15.801)  (  4.183,   0.856,  15.812)  ( 0.08,  0.44,  0.07)
162:     bond    (  1.295,   8.702,  15.115)  (  1.295,   8.705,  15.125)  ( 0.01,  0.04,  0.07)
162:     angle   ( 15.182,  -5.824,   2.050)  ( 15.184,  -5.823,   2.051)  ( 0.02,  0.03,  0.02)
162:     torsion ( -1.577,   2.708,  -1.424)  ( -1.577,   2.708,  -1.424)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-10.178,  -4.507,  -0.246)  (-10.177,  -4.507,  -0.246)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.543,  -0.228,   0.305)  ( -0.543,  -0.228,   0.305)  ( 0.00,  0.00,  0.00)
162: 61       ( -3.607, -11.430, -21.611)  ( -3.604, -11.416, -21.608)  ( 0.08,  0.11,  0.02)
162:     bond    (  0.549,  -8.292,   2.402)  (  0.549,  -8.280,   2.403)  ( 0.01,  0.16,  0.05)
162:     angle   ( -2.924,  -5.064, -16.780)  ( -2.921,  -5.064, -16.778)  ( 0.08,  0.00,  0.01)
162:     torsion ( -0.304,  -2.407,  -8.223)  ( -0.304,  -2.407,  -8.223)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.536,   3.527,   1.222)  ( -1.536,   3.527,   1.222)  ( 0.02,  0.00,  0.00)
162:     electro (  0.607,   0.806,  -0.231)  (  0.607,   0.806,  -0.231)  ( 0.00,  0.00,  0.00)
162: 62       (-13.552,   3.271,  -1.933)  (-13.548,   3.282,  -1.929)  ( 0.02,  0.35,  0.23)
162:     bond    ( -3.163,  10.307,  -4.939)  ( -3.162,  10.318,  -4.937)  ( 0.03,  0.10,  0.05)
162:     angle   ( -7.456,   1.314,   7.520)  ( -7.454,   1.314,   7.522)  ( 0.03,  0.04,  0.03)
162:     torsion ( -2.471,  -0.439,   0.665)  ( -2.471,  -0.439,   0.665)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.193,  -8.816,  -5.036)  ( -1.193,  -8.816,  -5.036)  ( 0.01,  0.00,  0.00)
162:     electro (  0.732,   0.904,  -0.144)  (  0.732,   0.904,  -0.144)  ( 0.00,  0.00,  0.00)
162: 63       ( -1.642,   0.072,   7.768)  ( -1.638,   0.075,   7.781)  ( 0.26,  0.02,  0.16)
162:     bond    (  3.501,   1.811,   9.381)  (  3.502,   1.811,   9.393)  ( 0.05,  0.03,  0.13)
162:     angle   (-11.516,   2.354,   3.839)  (-11.514,   2.356,   3.839)  ( 0.02,  0.09,  0.01)
162:     torsion (  1.522,   1.177,  -0.795)  (  1.522,   1.177,  -0.795)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.241,  -6.128,  -4.764)  (  3.241,  -6.128,  -4.764)  ( 0.01,  0.00,  0.00)
162:     electro (  1.610,   0.859,   0.107)  (  1.610,   0.859,   0.107)  ( 0.00,  0.00,  0.00)
162: 64       (  3.493,   9.960,   4.207)  (    nan,     nan,     nan)  (  nan,   nan,   nan)
162:     bond    (  0.723,   7.398,  -1.973)  (  0.723,   7.412,  -1.972)  ( 0.01,  0.19,  0.05)
162:     angle   ( -0.023,   0.127,   0.468)  ( -0.023,   0.127,   0.470)  ( 0.00,  0.00,  0.09)
162:     torsion (  1.495,  -0.118,   0.105)  (  1.495,  -0.118,   0.105)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (    nan,     nan,     nan)  (  nan,   nan,   nan)
162:     electro (  1.298,   2.553,   5.608)  (  1.298,   2.553,   5.608)  ( 0.00,  0.00,  0.00)
162: 65       (-32.705,   0.634,  27.276)  (    nan,     nan,     nan)  (  nan,   nan,   nan)
162:     bond    (-43.371,  -7.007,   0.973)  (-43.356,  -7.006,   0.974)  ( 0.03,  0.01,  0.02)
162:     angle   (  0.668,  -1.382,  19.777)  (  0.668,  -1.382,  19.779)  ( 0.00,  0.00,  0.01)
162:     torsion ( -0.829,   5.186,   0.390)  ( -0.829,   5.186,   0.390)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (    nan,     nan,     nan)  (  nan,   nan,   nan)
162:     electro ( 10.828,   3.837,   6.135)  ( 10.828,   3.837,   6.135)  ( 0.00,  0.00,  0.00)
162: ok 14 # gradients 
162: ok 15 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (-26.341, 179.695,  84.974)  (-26.307, 179.722,  84.987)  ( 0.13,  0.02,  0.02)
162:     bond    (-80.184,  67.240,  27.668)  (-80.158,  67.259,  27.676)  ( 0.03,  0.03,  0.03)
162:     angle   ( 50.759, 104.743,  70.672)  ( 50.767, 104.749,  70.675)  ( 0.02,  0.01,  0.00)
162:     torsion (  2.429,   7.968, -13.505)  (  2.429,   7.969, -13.502)  ( 0.00,  0.01,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.643,  -0.252,   0.142)  (  0.643,  -0.252,   0.142)  ( 0.00,  0.00,  0.00)
162:     electro (  0.012,  -0.003,  -0.004)  (  0.012,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
162:  2       (-221.600, -93.476, -82.982)  (-221.567, -93.449, -82.969)  ( 0.02,  0.03,  0.02)
162:     bond    (-162.222, -46.795, -64.231)  (-162.197, -46.775, -64.224)  ( 0.02,  0.04,  0.01)
162:     angle   (-55.886, -36.407, -31.703)  (-55.878, -36.401, -31.700)  ( 0.01,  0.02,  0.01)
162:     torsion ( -3.084,  -8.383,  14.257)  ( -3.084,  -8.381,  14.262)  ( 0.01,  0.02,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.426,  -1.691,  -1.215)  ( -0.426,  -1.691,  -1.215)  ( 0.00,  0.00,  0.00)
162:     electro (  0.018,  -0.201,  -0.091)  (  0.018,  -0.201,  -0.091)  ( 0.00,  0.00,  0.00)
162:  3       (733.756, -926.168, -450.739)  (733.785, -926.141, -450.725)  ( 0.00,  0.00,  0.00)
162:     bond    (715.451, -934.338, -440.862)  (715.477, -934.316, -440.850)  ( 0.00,  0.00,  0.00)
162:     angle   ( 16.605,  -5.824,  12.516)  ( 16.607,  -5.819,  12.517)  ( 0.02,  0.08,  0.01)
162:     torsion (  4.699,  13.992, -22.724)  (  4.699,  13.993, -22.722)  ( 0.00,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.952,   0.158,   0.563)  ( -2.951,   0.158,   0.563)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.047,  -0.157,  -0.233)  ( -0.047,  -0.157,  -0.233)  ( 0.00,  0.00,  0.00)
162:  4       (-544.374, 1014.483, 533.741)  (-544.344, 1014.503, 533.751)  ( 0.01,  0.00,  0.00)
162:     bond    (-540.835, 1016.531, 533.608)  (-540.805, 1016.551, 533.618)  ( 0.01,  0.00,  0.00)
162:     angle   ( -0.021,  -0.029,  -0.009)  ( -0.021,  -0.029,  -0.009)  ( 0.00,  0.00,  0.00)
162:     torsion ( -1.023,  -3.191,   1.716)  ( -1.023,  -3.190,   1.716)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.669,   1.628,  -1.464)  ( -1.669,   1.628,  -1.463)  ( 0.00,  0.01,  0.00)
162:     electro ( -0.826,  -0.456,  -0.110)  ( -0.826,  -0.456,  -0.110)  ( 0.00,  0.00,  0.00)
162:  5       (-93.744, -300.514, -176.809)  (-93.716, -300.491, -176.798)  ( 0.03,  0.01,  0.01)
162:     bond    (  6.436, -205.333, -129.111)  (  6.461, -205.313, -129.103)  ( 0.38,  0.01,  0.01)
162:     angle   (-90.395, -87.897, -67.119)  (-90.392, -87.894, -67.117)  ( 0.00,  0.00,  0.00)
162:     torsion ( -3.711, -12.855,  20.305)  ( -3.711, -12.855,  20.306)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.999,   3.743,  -2.154)  ( -4.999,   3.743,  -2.154)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.075,   1.829,   1.270)  ( -1.075,   1.828,   1.270)  ( 0.00,  0.00,  0.00)
162:  6       (488.052, -1161.301, 137.157)  (488.083, -1161.275, 137.161)  ( 0.01,  0.00,  0.00)
162:     bond    (484.183, -1164.859, 131.653)  (484.214, -1164.833, 131.657)  ( 0.01,  0.00,  0.00)
162:     angle   (  0.022,   0.028,   0.008)  (  0.022,   0.028,   0.008)  ( 0.00,  0.00,  0.00)
162:     torsion (  1.048,   3.836,   6.817)  (  1.048,   3.836,   6.818)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.975,  -0.747,  -1.547)  (  1.975,  -0.747,  -1.547)  ( 0.00,  0.01,  0.00)
162:     electro (  0.824,   0.441,   0.225)  (  0.824,   0.441,   0.225)  ( 0.00,  0.00,  0.00)
162:  7       (120.329, 342.533, -45.999)  (120.358, 342.564, -45.996)  ( 0.02,  0.01,  0.01)
162:     bond    (  8.785, 239.921, -25.604)  (  8.810, 239.948, -25.604)  ( 0.29,  0.01,  0.00)
162:     angle   (105.569, 108.819, -18.888)  (105.572, 108.823, -18.887)  ( 0.00,  0.00,  0.00)
162:     torsion ( -0.854,  -1.117,   0.334)  ( -0.854,  -1.116,   0.336)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.877,  -2.849,  -2.436)  (  5.877,  -2.848,  -2.436)  ( 0.00,  0.00,  0.00)
162:     electro (  0.952,  -2.242,   0.595)  (  0.952,  -2.242,   0.595)  ( 0.00,  0.00,  0.00)
162:  8       (  9.605, -199.227,  26.960)  (  9.640, -199.192,  26.965)  ( 0.37,  0.02,  0.02)
162:     bond    ( 76.676, -75.909,   3.494)  ( 76.703, -75.882,   3.494)  ( 0.04,  0.04,  0.00)
162:     angle   (-66.537, -124.364,  14.394)  (-66.528, -124.356,  14.394)  ( 0.01,  0.01,  0.00)
162:     torsion (  0.153,   0.851,   8.951)  (  0.153,   0.851,   8.955)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.677,   0.189,   0.125)  ( -0.677,   0.189,   0.125)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.011,   0.005,  -0.004)  ( -0.011,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
162:  9       (234.083, 110.808,  -5.687)  (234.117, 110.843,  -5.681)  ( 0.01,  0.03,  0.09)
162:     bond    (168.822,  63.419, -12.849)  (168.848,  63.446, -12.850)  ( 0.02,  0.04,  0.00)
162:     angle   ( 64.031,  43.820,  -7.539)  ( 64.039,  43.829,  -7.540)  ( 0.01,  0.02,  0.00)
162:     torsion (  0.607,   1.401,  15.070)  (  0.607,   1.401,  15.076)  ( 0.00,  0.00,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.642,   1.953,  -0.380)  (  0.642,   1.953,  -0.380)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.018,   0.214,   0.012)  ( -0.018,   0.214,   0.012)  ( 0.00,  0.00,  0.00)
162: 10       (-703.642, 1063.270, -121.206)  (-703.612, 1063.304, -121.199)  ( 0.00,  0.00,  0.01)
162:     bond    (-668.979, 1057.194, -118.164)  (-668.952, 1057.223, -118.160)  ( 0.00,  0.00,  0.00)
162:     angle   (-36.514,   9.643,  24.582)  (-36.512,   9.649,  24.582)  ( 0.01,  0.06,  0.00)
162:     torsion ( -0.835,  -3.339, -28.417)  ( -0.835,  -3.339, -28.415)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.621,  -0.462,   0.922)  (  2.621,  -0.462,   0.922)  ( 0.00,  0.00,  0.00)
162:     electro (  0.065,   0.232,  -0.128)  (  0.065,   0.232,  -0.128)  ( 0.00,  0.00,  0.00)
162: 11       (-92.037, -219.425,  15.503)  (-92.011, -219.395,  15.528)  ( 0.03,  0.01,  0.16)
162:     bond    (-44.807, -79.240,   7.516)  (-44.789, -79.219,   7.535)  ( 0.04,  0.03,  0.25)
162:     angle   (-49.035, -135.591,   4.959)  (-49.028, -135.582,   4.965)  ( 0.02,  0.01,  0.11)
162:     torsion (  0.089,   0.165,   2.005)  (  0.089,   0.165,   2.006)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.297,  -4.237,   1.078)  (  1.297,  -4.237,   1.078)  ( 0.01,  0.00,  0.00)
162:     electro (  0.420,  -0.522,  -0.056)  (  0.420,  -0.522,  -0.056)  ( 0.00,  0.00,  0.00)
162: 12       ( -8.510,  24.281,  -8.300)  ( -8.498,  24.288,  -8.299)  ( 0.14,  0.03,  0.01)
162:     bond    (  3.190,   1.811,  -0.170)  (  3.201,   1.815,  -0.170)  ( 0.35,  0.20,  0.00)
162:     angle   (-13.096,  23.042,  -0.548)  (-13.096,  23.044,  -0.548)  ( 0.01,  0.01,  0.01)
162:     torsion ( -0.096,  -0.535,  -7.539)  ( -0.096,  -0.535,  -7.538)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.157,   0.114,   0.005)  ( -0.157,   0.114,   0.005)  ( 0.00,  0.00,  0.00)
162:     electro (  1.650,  -0.151,  -0.048)  (  1.650,  -0.151,  -0.048)  ( 0.00,  0.00,  0.00)
162: 13       (-29.862, -44.197,   2.041)  (-29.853, -44.188,   2.043)  ( 0.03,  0.02,  0.08)
162:     bond    (  5.580,  -5.166,   0.418)  (  5.588,  -5.160,   0.418)  ( 0.14,  0.13,  0.00)
162:     angle   (-36.346, -38.897,   5.727)  (-36.345, -38.895,   5.727)  ( 0.00,  0.01,  0.00)
162:     torsion ( -0.092,  -0.424,  -4.005)  ( -0.092,  -0.424,  -4.003)  ( 0.00,  0.00,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.083,   0.130,  -0.072)  (  1.083,   0.130,  -0.072)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.087,   0.160,  -0.027)  ( -0.087,   0.160,  -0.027)  ( 0.00,  0.00,  0.00)
162: 14       ( 94.864, 200.588, 114.433)  ( 94.890, 200.617, 114.459)  ( 0.03,  0.01,  0.02)
162:     bond    ( 41.007,  67.471,  46.997)  ( 41.024,  67.492,  47.016)  ( 0.04,  0.03,  0.04)
162:     angle   ( 56.551, 129.171,  64.070)  ( 56.559, 129.179,  64.077)  ( 0.01,  0.01,  0.01)
162:     torsion ( -0.117,  -0.306,   0.514)  ( -0.117,  -0.306,   0.514)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.106,   3.726,   2.744)  ( -2.106,   3.726,   2.744)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.472,   0.526,   0.108)  ( -0.472,   0.526,   0.108)  ( 0.00,  0.00,  0.00)
162: 15       ( 11.332, -23.890, -12.754)  ( 11.343, -23.885, -12.750)  ( 0.10,  0.02,  0.03)
162:     bond    ( -2.993,  -1.390,  -1.422)  ( -2.983,  -1.388,  -1.420)  ( 0.34,  0.16,  0.16)
162:     angle   ( 15.978, -21.946, -12.114)  ( 15.979, -21.944, -12.114)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.194,  -0.653,   1.044)  ( -0.194,  -0.652,   1.045)  ( 0.00,  0.02,  0.09)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.155,  -0.116,  -0.022)  (  0.155,  -0.116,  -0.022)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.614,   0.215,  -0.241)  ( -1.614,   0.215,  -0.241)  ( 0.00,  0.00,  0.00)
162: 16       ( 26.763,  36.848,  27.200)  ( 26.773,  36.856,  27.202)  ( 0.04,  0.02,  0.01)
162:     bond    ( -5.931,   4.794,   1.716)  ( -5.922,   4.800,   1.717)  ( 0.14,  0.11,  0.04)
162:     angle   ( 33.396,  31.558,  26.977)  ( 33.398,  31.559,  26.977)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.258,   0.709,  -1.097)  (  0.258,   0.710,  -1.095)  ( 0.00,  0.03,  0.11)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.068,  -0.086,  -0.304)  ( -1.068,  -0.086,  -0.304)  ( 0.00,  0.00,  0.00)
162:     electro (  0.107,  -0.127,  -0.093)  (  0.107,  -0.127,  -0.093)  ( 0.00,  0.00,  0.00)
162: 17       ( 39.771, 101.216,  64.066)  ( 39.773, 101.229,  64.071)  ( 0.01,  0.01,  0.01)
162:     bond    (-11.976,  98.669,  56.715)  (-11.975,  98.681,  56.720)  ( 0.01,  0.01,  0.01)
162:     angle   ( 48.261,   1.230,   8.049)  ( 48.263,   1.230,   8.049)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.146,   0.573,  -0.966)  (  0.146,   0.573,  -0.965)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.339,   0.040,   0.283)  (  0.339,   0.040,   0.283)  ( 0.00,  0.00,  0.00)
162:     electro (  3.000,   0.705,  -0.016)  (  3.000,   0.705,  -0.016)  ( 0.00,  0.00,  0.00)
162: 18       (-53.140, -113.275,  31.092)  (-53.138, -113.259,  31.093)  ( 0.00,  0.01,  0.00)
162:     bond    (  4.991, -112.248,  19.822)  (  4.991, -112.231,  19.823)  ( 0.01,  0.01,  0.01)
162:     angle   (-55.366,  -1.628,   4.725)  (-55.364,  -1.628,   4.725)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.578,   1.299,   7.208)  (  0.578,   1.299,   7.209)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.375,  -0.137,   0.175)  ( -0.375,  -0.137,   0.175)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.967,  -0.562,  -0.839)  ( -2.967,  -0.562,  -0.839)  ( 0.00,  0.00,  0.00)
162: 19       (-37.239, -77.614, -48.643)  (-37.232, -77.608, -48.638)  ( 0.02,  0.01,  0.01)
162:     bond    ( 30.052, -29.778, -24.026)  ( 30.058, -29.773, -24.023)  ( 0.02,  0.02,  0.02)
162:     angle   (-68.561, -48.606, -25.545)  (-68.559, -48.605, -25.544)  ( 0.00,  0.00,  0.00)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.009,   1.029,   1.006)  (  1.009,   1.029,   1.006)  ( 0.00,  0.00,  0.00)
162:     electro (  0.260,  -0.259,  -0.078)  (  0.260,  -0.259,  -0.078)  ( 0.00,  0.00,  0.00)
162: 20       (-37.541, -23.181, -49.158)  (-37.534, -23.177, -49.150)  ( 0.02,  0.02,  0.02)
162:     bond    (-33.425,  15.800, -36.942)  (-33.419,  15.801, -36.934)  ( 0.02,  0.01,  0.02)
162:     angle   ( -4.258, -39.416, -13.011)  ( -4.257, -39.414, -13.010)  ( 0.02,  0.01,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.023,   0.938,   1.148)  ( -0.023,   0.938,   1.148)  ( 0.00,  0.00,  0.00)
162:     electro (  0.165,  -0.503,  -0.353)  (  0.165,  -0.503,  -0.353)  ( 0.00,  0.00,  0.00)
162: 21       (-29.750, -59.500,  -4.073)  (-29.744, -59.493,  -4.066)  ( 0.02,  0.01,  0.16)
162:     bond    (-27.296, -32.763,  28.653)  (-27.292, -32.757,  28.657)  ( 0.02,  0.02,  0.02)
162:     angle   ( -2.475, -26.642, -32.810)  ( -2.474, -26.640, -32.808)  ( 0.05,  0.00,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.103,   0.375,   0.081)  (  0.103,   0.375,   0.081)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.081,  -0.470,   0.003)  ( -0.081,  -0.470,   0.003)  ( 0.00,  0.00,  0.00)
162: 22       ( 44.369,  65.787, -26.990)  ( 44.381,  65.790, -26.986)  ( 0.03,  0.00,  0.02)
162:     bond    ( 46.695,   0.174, -23.767)  ( 46.707,   0.175, -23.764)  ( 0.02,  0.00,  0.01)
162:     angle   ( -2.385,  67.344,  -4.194)  ( -2.385,  67.346,  -4.193)  ( 0.02,  0.00,  0.03)
163:     torsion ( -0.000,   0.007,  -0.004)  ( -0.000,   0.007,  -0.004)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.616,   6.610,   3.772)  ( -0.616,   6.610,   3.772)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (-82.674, 109.685, -169.760)  (-82.667, 109.695, -169.740)  ( 0.01,  0.01,  0.01)
163:     bond    (-73.962, 104.530, -181.062)  (-73.958, 104.537, -181.043)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.196,   0.175,   0.020)  (  0.200,   0.178,   0.021)  ( 0.06,  0.05,  0.00)
163:     torsion ( -0.007,  -0.005,   0.000)  ( -0.007,  -0.005,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -8.901,   4.984,  11.282)  ( -8.901,   4.984,  11.282)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 13       (-82.951, -203.270,   2.440)  (-82.943, -203.245,   2.444)  ( 0.01,  0.01,  0.17)
163:     bond    (-73.956, -209.192,   0.116)  (-73.952, -209.167,   0.117)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.236,  -0.085,   0.219)  (  0.240,  -0.085,   0.222)  ( 0.08,  0.00,  0.07)
163:     torsion (  0.012,  -0.004,   0.007)  (  0.012,  -0.004,   0.007)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -9.243,   6.011,   2.098)  ( -9.243,   6.012,   2.098)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 12 # gradients 
163: ok 13 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (-37.135, -25.583,  -5.155)  (-37.065, -25.493,  -5.141)  ( 0.19,  0.35,  0.27)
163:     bond    (-39.393, -37.584,  -9.117)  (-39.335, -37.506,  -9.108)  ( 0.15,  0.21,  0.11)
163:     angle   (  7.381,  12.289,   3.318)  (  7.394,  12.300,   3.319)  ( 0.17,  0.09,  0.04)
163:     torsion (  0.061,  -0.144,   0.321)  (  0.061,  -0.144,   0.324)  ( 0.00,  0.00,  0.09)
163:     vdw     ( -5.824,   0.116,   0.584)  ( -5.824,   0.116,   0.584)  ( 0.00,  0.00,  0.00)
163:     electro (  0.639,  -0.259,  -0.260)  (  0.639,  -0.259,  -0.260)  ( 0.00,  0.00,  0.00)
163:  2       ( 38.411,  37.278,   9.927)  ( 38.505,  37.348,   9.938)  ( 0.24,  0.19,  0.11)
163:     bond    ( 31.945,  49.472,  14.218)  ( 32.026,  49.531,  14.224)  ( 0.25,  0.12,  0.04)
163:     angle   (  8.741, -16.613,  -6.348)  (  8.754, -16.602,  -6.347)  ( 0.14,  0.07,  0.02)
163:     torsion ( -0.021,  -0.066,   0.306)  ( -0.021,  -0.066,   0.309)  ( 0.00,  0.00,  0.09)
163:     vdw     ( -2.211,   5.417,   2.288)  ( -2.211,   5.417,   2.288)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.043,  -0.931,  -0.537)  ( -0.043,  -0.931,  -0.537)  ( 0.00,  0.00,  0.00)
163:  3       ( 37.676,   9.956,  11.493)  ( 37.770,  10.028,  11.506)  ( 0.25,  0.72,  0.11)
163:     bond    ( 22.225, -39.741, -16.148)  ( 22.304, -39.682, -16.140)  ( 0.36,  0.15,  0.05)
163:     angle   ( 15.646,  49.327,  16.801)  ( 15.661,  49.339,  16.803)  ( 0.09,  0.02,  0.01)
163:     torsion (  0.640,  -4.608,  12.311)  (  0.640,  -4.608,  12.314)  ( 0.00,  0.01,  0.02)
163:     vdw     ( -0.175,   6.511,  -0.244)  ( -0.175,   6.511,  -0.244)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.660,  -1.533,  -1.228)  ( -0.660,  -1.533,  -1.228)  ( 0.00,  0.00,  0.00)
163:  4       (-82.568,   2.725,  38.198)  (-82.476,   2.823,  38.217)  ( 0.11,  3.60,  0.05)
163:     bond    (-63.591,  43.917,  19.919)  (-63.515,  43.994,  19.930)  ( 0.12,  0.18,  0.05)
163:     angle   (-24.738, -39.856,  21.223)  (-24.722, -39.835,  21.228)  ( 0.07,  0.05,  0.03)
163:     torsion ( -0.219,  -0.406,  -1.055)  ( -0.219,  -0.405,  -1.052)  ( 0.00,  0.03,  0.30)
163:     vdw     (  5.980,  -0.930,  -1.889)  (  5.980,  -0.930,  -1.889)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-79.362, -10.491,   1.322)  (-79.266, -10.421,   1.335)  ( 0.12,  0.67,  0.93)
163:     bond    (-52.026,   2.020,   6.986)  (-51.946,   2.079,   6.994)  ( 0.16,  2.88,  0.11)
163:     angle   (-28.249,  -8.322,  -0.594)  (-28.234,  -8.310,  -0.592)  ( 0.05,  0.14,  0.10)
163:     torsion (  0.098,   1.325,  -3.983)  (  0.099,   1.325,  -3.980)  ( 0.00,  0.03,  0.07)
163:     vdw     ( -0.161,  -6.107,  -1.169)  ( -0.161,  -6.107,  -1.169)  ( 0.00,  0.00,  0.00)
163:     electro (  0.976,   0.593,   0.083)  (  0.976,   0.593,   0.083)  ( 0.00,  0.00,  0.00)
163:  6       ( 36.692, -14.717,  -9.327)  ( 36.783, -14.646,  -9.314)  ( 0.25,  0.48,  0.14)
163:     bond    ( 53.347, -12.349,  -9.653)  ( 53.426, -12.289,  -9.645)  ( 0.15,  0.48,  0.09)
163:     angle   (-14.012,   2.744,   2.305)  (-13.999,   2.755,   2.306)  ( 0.09,  0.41,  0.06)
163:     torsion ( -0.010,   0.362,  -0.308)  ( -0.010,   0.362,  -0.305)  ( 0.00,  0.01,  0.09)
163:     vdw     ( -3.247,  -5.827,  -1.669)  ( -3.247,  -5.827,  -1.669)  ( 0.00,  0.00,  0.00)
163:     electro (  0.614,   0.354,  -0.001)  (  0.614,   0.354,  -0.001)  ( 0.00,  0.00,  0.00)
163:  7       (200.889,   4.865, 180.344)  (200.967,   4.901, 180.385)  ( 0.04,  0.75,  0.02)
163:     bond    (222.352,  66.628, 140.599)  (222.417,  66.649, 140.627)  ( 0.03,  0.03,  0.02)
163:     angle   (  5.358,   8.587, -17.210)  (  5.370,   8.600, -17.200)  ( 0.22,  0.14,  0.06)
163:     torsion (-24.205, -77.836,  59.395)  (-24.204, -77.834,  59.396)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.040,   8.269,  -3.213)  ( -0.040,   8.269,  -3.213)  ( 0.00,  0.00,  0.00)
163:     electro ( -2.577,  -0.783,   0.775)  ( -2.577,  -0.783,   0.775)  ( 0.00,  0.00,  0.00)
163:  8       (-737.337, -58.076, -13.799)  (-737.247, -58.047, -13.726)  ( 0.01,  0.05,  0.52)
163:     bond    (-746.916,   5.571,  66.213)  (-746.841,   5.590,  66.276)  ( 0.01,  0.34,  0.10)
163:     angle   (  0.733, -57.566, -37.981)  (  0.748, -57.560, -37.972)  ( 1.06,  0.01,  0.02)
163:     torsion (  2.354,   5.244, -42.997)  (  2.354,   5.247, -42.997)  ( 0.01,  0.06,  0.00)
163:     vdw     (  5.596, -11.059,   1.056)  (  5.596, -11.058,   1.056)  ( 0.00,  0.01,  0.00)
163:     electro (  0.896,  -0.266,  -0.089)  (  0.896,  -0.266,  -0.089)  ( 0.00,  0.00,  0.00)
163:  9       ( 53.979, -50.957, -165.826)  ( 53.991, -50.942, -165.779)  ( 0.02,  0.03,  0.03)
163:     bond    ( 56.519, -79.843, -150.792)  ( 56.526, -79.830, -150.746)  ( 0.01,  0.02,  0.03)
163:     angle   (-10.922,  -2.355,  -2.847)  (-10.917,  -2.355,  -2.846)  ( 0.04,  0.01,  0.01)
163:     torsion ( -3.071,  52.160, -28.774)  ( -3.071,  52.160, -28.774)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 11.731, -21.333,  17.254)  ( 11.732, -21.332,  17.254)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.278,   0.414,  -0.667)  ( -0.278,   0.414,  -0.667)  ( 0.00,  0.00,  0.00)
163: 10       (902.852, -191.252, -156.971)  (902.958, -191.166, -156.961)  ( 0.01,  0.05,  0.01)
163:     bond    (1009.544, -205.757, -159.927)  (1009.639, -205.682, -159.922)  ( 0.01,  0.04,  0.00)
163:     angle   (-118.889,  28.667, -37.671)  (-118.878,  28.678, -37.668)  ( 0.01,  0.04,  0.01)
163:     torsion (  5.313, -17.875,  36.215)  (  5.313, -17.874,  36.217)  ( 0.00,  0.00,  0.00)
163:     vdw     (  6.885,   3.712,   4.412)  (  6.885,   3.712,   4.412)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       (319.105, -323.366, 188.016)  (319.191, -323.286, 188.027)  ( 0.03,  0.02,  0.01)
163:     bond    (249.730, -328.174,  79.290)  (249.802, -328.108,  79.298)  ( 0.03,  0.02,  0.01)
163:     angle   ( 68.513,  15.709, 114.859)  ( 68.526,  15.722, 114.861)  ( 0.02,  0.08,  0.00)
163:     torsion (  2.045,  -6.876,  -5.315)  (  2.045,  -6.876,  -5.314)  ( 0.00,  0.00,  0.03)
163:     vdw     ( -1.183,  -4.025,  -0.819)  ( -1.183,  -4.025,  -0.819)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (792.462, 567.885, -81.270)  (792.541, 567.969, -81.256)  ( 0.01,  0.01,  0.02)
163:     bond    (843.893, 675.743, -78.173)  (843.959, 675.813, -78.163)  ( 0.01,  0.01,  0.01)
163:     angle   (-49.137, -108.267,  -6.420)  (-49.125, -108.254,  -6.418)  ( 0.03,  0.01,  0.04)
163:     torsion ( -0.622,   0.403,   3.289)  ( -0.622,   0.403,   3.291)  ( 0.00,  0.00,  0.07)
163:     vdw     ( -1.673,   0.006,   0.034)  ( -1.673,   0.006,   0.034)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 13       (312.993, 491.095, -75.433)  (313.079, 491.177, -75.428)  ( 0.03,  0.02,  0.01)
163:     bond    (182.102, 361.399, -39.998)  (182.175, 361.465, -39.996)  ( 0.04,  0.02,  0.00)
163:     angle   (145.132, 114.986, -32.807)  (145.144, 115.001, -32.807)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.088,   1.470,  -3.367)  ( -0.088,   1.470,  -3.364)  ( 0.00,  0.01,  0.08)
163:     vdw     (-14.461,  14.403,   1.413)  (-14.460,  14.404,   1.413)  ( 0.00,  0.00,  0.00)
163:     electro (  0.308,  -1.163,  -0.673)  (  0.308,  -1.163,  -0.673)  ( 0.00,  0.00,  0.00)
163: 14       (-285.814, 354.520,  45.351)  (-285.728, 354.617,  45.355)  ( 0.03,  0.03,  0.01)
163:     bond    (-505.028, 338.173, -11.705)  (-504.956, 338.260, -11.704)  ( 0.01,  0.03,  0.01)
163:     angle   (220.011,  15.873,  61.540)  (220.025,  15.883,  61.539)  ( 0.01,  0.06,  0.00)
163:     torsion ( -1.857,  -2.686,  -4.718)  ( -1.857,  -2.686,  -4.715)  ( 0.00,  0.00,  0.07)
163:     vdw     (  1.060,   3.160,   0.234)  (  1.060,   3.160,   0.234)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 15       ( 24.507, -209.022, -22.911)  ( 24.604, -208.936, -22.906)  ( 0.39,  0.04,  0.02)
163:     bond    (156.762, -155.422, -28.130)  (156.846, -155.348, -28.128)  ( 0.05,  0.05,  0.01)
163:     angle   (-129.413, -58.792,  -1.964)  (-129.401, -58.781,  -1.965)  ( 0.01,  0.02,  0.02)
163:     torsion ( -1.764,  -0.172,   6.998)  ( -1.763,  -0.172,   7.001)  ( 0.00,  0.00,  0.05)
163:     vdw     ( -1.078,   5.364,   0.186)  ( -1.078,   5.364,   0.186)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 16       (-51.881, -107.783,  -4.907)  (-51.801, -107.693,  -4.901)  ( 0.16,  0.08,  0.12)
163:     bond    ( 22.023, -118.566, -16.321)  ( 22.092, -118.490, -16.319)  ( 0.31,  0.06,  0.01)
163:     angle   (-70.752,   8.239,   6.612)  (-70.740,   8.252,   6.613)  ( 0.02,  0.15,  0.00)
163:     torsion (  0.535,  -0.313,   3.768)  (  0.535,  -0.313,   3.771)  ( 0.00,  0.00,  0.08)
163:     vdw     ( -4.438,   2.873,   2.399)  ( -4.437,   2.873,   2.399)  ( 0.00,  0.01,  0.00)
163:     electro (  0.749,  -0.015,  -1.365)  (  0.749,  -0.015,  -1.365)  ( 0.00,  0.00,  0.00)
163: 17       (-18.930, 107.515,  14.333)  (-18.855, 107.610,  14.339)  ( 0.39,  0.09,  0.04)
163:     bond    (-22.609, 136.062,  16.568)  (-22.547, 136.145,  16.570)  ( 0.27,  0.06,  0.01)
163:     angle   ( 10.531, -26.073,  -5.363)  ( 10.544, -26.061,  -5.363)  ( 0.12,  0.05,  0.01)
163:     torsion (  0.544,  -0.373,   3.400)  (  0.544,  -0.373,   3.403)  ( 0.00,  0.00,  0.09)
163:     vdw     ( -7.858,  -2.132,   0.339)  ( -7.858,  -2.132,   0.339)  ( 0.00,  0.00,  0.00)
163:     electro (  0.462,   0.030,  -0.611)  (  0.462,   0.030,  -0.611)  ( 0.00,  0.00,  0.00)
163: 18       (-65.774, -68.811,  -0.702)  (-65.676, -68.740,  -0.697)  ( 0.15,  0.10,  0.31)
163:     bond    (-91.259, -79.239,   0.226)  (-91.173, -79.180,   0.227)  ( 0.09,  0.07,  0.02)
163:     angle   ( 26.073,  13.883,  -0.908)  ( 26.086,  13.895,  -0.908)  ( 0.05,  0.09,  0.02)
163:     torsion (  0.013,  -0.002,   0.509)  (  0.013,  -0.002,   0.512)  ( 0.00,  0.00,  0.16)
163:     vdw     ( -0.640,  -4.484,  -0.380)  ( -0.640,  -4.484,  -0.380)  ( 0.00,  0.00,  0.00)
163:     electro (  0.039,   1.031,  -0.148)  (  0.039,   1.031,  -0.148)  ( 0.00,  0.00,  0.00)
163: 19       ( 85.150,  81.337,   1.290)  ( 85.231,  81.426,   1.294)  ( 0.10,  0.11,  0.30)
163:     bond    (131.843,  64.348,  -6.215)  (131.912,  64.425,  -6.214)  ( 0.05,  0.12,  0.01)
163:     angle   (-51.578,  20.309,   7.548)  (-51.566,  20.321,   7.548)  ( 0.02,  0.06,  0.00)
163:     torsion (  0.198,  -0.086,   0.969)  (  0.198,  -0.086,   0.972)  ( 0.00,  0.00,  0.30)
163:     vdw     (  5.356,  -3.308,  -0.917)  (  5.356,  -3.308,  -0.917)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.670,   0.074,  -0.094)  ( -0.670,   0.074,  -0.094)  ( 0.00,  0.00,  0.00)
163: 20       (-68.176,  83.937,  12.040)  (-68.102,  84.034,  12.046)  ( 0.11,  0.12,  0.05)
163:     bond    (-174.589, 125.582,  27.601)  (-174.527, 125.666,  27.603)  ( 0.04,  0.07,  0.01)
163:     angle   (103.136, -36.313, -15.162)  (103.148, -36.301, -15.162)  ( 0.01,  0.03,  0.00)
163:     torsion (  0.377,   0.326,   1.382)  (  0.377,   0.326,   1.386)  ( 0.00,  0.00,  0.23)
163:     vdw     (  3.373,  -6.111,  -1.706)  (  3.373,  -6.111,  -1.706)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.473,   0.454,  -0.075)  ( -0.473,   0.454,  -0.075)  ( 0.00,  0.00,  0.00)
163: 21       (-59.411, -82.492, -73.756)  (-59.364, -82.442, -73.714)  ( 0.08,  0.06,  0.06)
163:     bond    ( 12.624, -154.571,  15.639)  ( 12.658, -154.531,  15.674)  ( 0.27,  0.03,  0.22)
163:     angle   (-67.098,  69.417, -105.866)  (-67.085,  69.427, -105.858)  ( 0.02,  0.01,  0.01)
163:     torsion ( -4.653,   3.381,  16.257)  ( -4.653,   3.382,  16.258)  ( 0.01,  0.01,  0.00)
163:     vdw     ( -0.284,  -0.720,   0.213)  ( -0.284,  -0.720,   0.213)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 22       (-89.330,  45.460,  51.211)  (-89.280,  45.507,  51.260)  ( 0.05,  0.10,  0.10)
163:     bond    ( 12.839,  22.573,   0.989)  ( 12.876,  22.608,   1.026)  ( 0.29,  0.15,  3.63)
163:     angle   (-100.179,  23.945,  45.961)  (-100.167,  23.957,  45.974)  ( 0.01,  0.05,  0.03)
163:     torsion (  1.924,  -0.079,   2.304)  (  1.924,  -0.078,   2.305)  ( 0.01,  0.00,  0.01)
163:     vdw     ( -3.913,  -0.979,   1.956)  ( -3.913,  -0.979,   1.956)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 23       ( 89.639,  97.728, -21.522)  ( 89.689,  97.776, -21.473)  ( 0.06,  0.05,  0.23)
163:     bond    (  2.818,  34.692,   2.637)  (  2.854,  34.728,   2.674)  ( 1.27,  0.10,  1.40)
163:     angle   ( 88.780,  56.032, -24.887)  ( 88.794,  56.044, -24.875)  ( 0.02,  0.02,  0.04)
163:     torsion (  2.091,  -0.939,   5.736)  (  2.091,  -0.939,   5.736)  ( 0.01,  0.02,  0.01)
163:     vdw     ( -4.050,   7.943,  -5.008)  ( -4.050,   7.943,  -5.008)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 24       (-1361.064, -716.503,  54.666)  (-1361.020, -716.452,  54.716)  ( 0.00,  0.01,  0.09)
163:     bond    (-1327.632, -815.920,  90.720)  (-1327.597, -815.884,  90.763)  ( 0.00,  0.00,  0.05)
163:     angle   (-37.784, 107.786, -38.227)  (-37.775, 107.801, -38.220)  ( 0.02,  0.01,  0.02)
163:     torsion ( -0.124,  -0.490,  -1.187)  ( -0.124,  -0.490,  -1.187)  ( 0.00,  0.01,  0.07)
163:     vdw     (  4.476,  -7.879,   3.360)  (  4.476,  -7.878,   3.360)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 25       (-43.642, -107.862,  17.641)  (-43.595, -107.812,  17.687)  ( 0.11,  0.05,  0.26)
163:     bond    (-40.433, -20.011,   4.163)  (-40.396, -19.976,   4.199)  ( 0.09,  0.17,  0.87)
163:     angle   (-20.506, -107.609,  15.774)  (-20.497, -107.595,  15.782)  ( 0.05,  0.01,  0.05)
163:     torsion (  1.314,  -4.542,   0.958)  (  1.314,  -4.542,   0.959)  ( 0.01,  0.01,  0.07)
163:     vdw     ( 15.984,  24.300,  -3.254)  ( 15.984,  24.300,  -3.254)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 26       ( 21.669,  39.887,  -4.938)  ( 21.712,  39.934,  -4.892)  ( 0.20,  0.12,  0.92)
163:     bond    ( 55.866, -14.525, -25.232)  ( 55.900, -14.489, -25.196)  ( 0.06,  0.25,  0.14)
163:     angle   (-35.142,  55.332,  11.882)  (-35.133,  55.344,  11.892)  ( 0.03,  0.02,  0.08)
163:     torsion (  2.117,   1.420,   7.814)  (  2.117,   1.421,   7.814)  ( 0.01,  0.01,  0.01)
163:     vdw     ( -1.173,  -2.341,   0.598)  ( -1.172,  -2.341,   0.598)  ( 0.02,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 27       (-47.756, -72.759,  -8.387)  (-47.708, -72.711,  -8.342)  ( 0.10,  0.07,  0.54)
163:     bond    (-26.888,  10.352,  -0.511)  (-26.850,  10.387,  -0.476)  ( 0.14,  0.34,  1.83)
163:     angle   (-20.883, -88.530, -20.258)  (-20.873, -88.517, -20.249)  ( 0.05,  0.02,  0.04)
163:     torsion ( -3.007,   3.318,   9.853)  ( -3.006,   3.319,   9.853)  ( 0.00,  0.00,  0.00)
163:     vdw     (  3.022,   2.101,   2.529)  (  3.022,   2.101,   2.530)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 28       (-84.354,  30.361, 125.085)  (-84.308,  30.408, 125.129)  ( 0.05,  0.15,  0.04)
163:     bond    (-12.611,  17.684,  62.899)  (-12.576,  17.721,  62.933)  ( 0.28,  0.21,  0.05)
163:     angle   (-69.663,   5.775,  52.412)  (-69.652,   5.785,  52.422)  ( 0.02,  0.16,  0.02)
163:     torsion ( -1.456,   7.503,   9.639)  ( -1.456,   7.503,   9.639)  ( 0.02,  0.00,  0.00)
163:     vdw     ( -0.624,  -0.601,   0.136)  ( -0.624,  -0.601,   0.136)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 29       (178.239,  59.859, -17.444)  (178.282,  59.908, -17.395)  ( 0.02,  0.08,  0.28)
163:     bond    (128.215,  58.142, -25.742)  (128.248,  58.180, -25.705)  ( 0.03,  0.07,  0.14)
163:     angle   ( 48.331,  15.984,  17.772)  ( 48.341,  15.995,  17.783)  ( 0.02,  0.07,  0.07)
163:     torsion ( -3.523,  -9.583,   6.545)  ( -3.523,  -9.583,   6.545)  ( 0.00,  0.00,  0.00)
163:     vdw     (  5.216,  -4.685, -16.019)  (  5.216,  -4.685, -16.019)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 30       (-425.815,  33.516, -847.680)  (-425.779,  33.549, -847.604)  ( 0.01,  0.10,  0.01)
163:     bond    (-248.539, 199.821, -757.719)  (-248.512, 199.849, -757.651)  ( 0.01,  0.01,  0.01)
163:     angle   (-200.524, -157.469, -57.618)  (-200.516, -157.463, -57.611)  ( 0.00,  0.00,  0.01)
163:     torsion (  5.066,  -6.424,   2.469)  (  5.066,  -6.424,   2.469)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 17.443,  -2.235, -30.948)  ( 17.444,  -2.235, -30.947)  ( 0.00,  0.00,  0.00)
163:     electro (  0.739,  -0.178,  -3.864)  (  0.739,  -0.178,  -3.864)  ( 0.00,  0.00,  0.00)
163: 31       ( 89.548, -195.391, 508.761)  ( 89.554, -195.371, 508.809)  ( 0.01,  0.01,  0.01)
163:     bond    (-48.172, -271.651, 450.146)  (-48.169, -271.632, 450.194)  ( 0.01,  0.01,  0.01)
163:     angle   (132.809,  73.117,  58.328)  (132.813,  73.118,  58.328)  ( 0.00,  0.00,  0.00)
163:     torsion (  0.761,  -1.047,  -0.550)  (  0.761,  -1.047,  -0.550)  ( 0.00,  0.00,  0.00)
163:     vdw     (  3.864,   4.131,   0.125)  (  3.864,   4.131,   0.125)  ( 0.00,  0.00,  0.00)
163:     electro (  0.286,   0.059,   0.714)  (  0.286,   0.059,   0.714)  ( 0.00,  0.00,  0.00)
163: 32       (488.893, 102.091,  99.940)  (488.908, 102.091,  99.964)  ( 0.00,  0.00,  0.02)
163:     bond    (211.229,   6.631, 313.253)  (211.237,   6.629, 313.272)  ( 0.00,  0.02,  0.01)
163:     angle   ( 68.266,  79.408, -47.714)  ( 68.268,  79.410, -47.713)  ( 0.00,  0.00,  0.00)
163:     torsion ( -3.055,   4.182,   1.971)  ( -3.055,   4.182,   1.971)  ( 0.00,  0.00,  0.00)
163:     vdw     (212.452,  11.871, -167.570)  (212.458,  11.870, -167.567)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 33       ( 45.088, 208.770, -23.706)  ( 45.090, 208.818, -23.678)  ( 0.01,  0.02,  0.12)
163:     bond    ( 16.304, 200.345,  -7.007)  ( 16.306, 200.392,  -6.985)  ( 0.01,  0.02,  0.31)
163:     angle   ( 41.809,   0.611, -15.434)  ( 41.811,   0.613, -15.429)  ( 0.01,  0.10,  0.04)
163:     torsion (-15.671,   2.926,  -2.202)  (-15.672,   2.926,  -2.202)  ( 0.01,  0.00,  0.00)
163:     vdw     (  5.020,   3.888,   1.339)  (  5.021,   3.888,   1.339)  ( 0.00,  0.00,  0.00)
163:     electro ( -2.375,   0.999,  -0.401)  ( -2.375,   0.999,  -0.401)  ( 0.00,  0.00,  0.00)
163: 34       (355.299,  31.343, -78.600)  (355.346,  31.349, -78.570)  ( 0.01,  0.02,  0.04)
163:     bond    (311.200,  51.966, -29.253)  (311.243,  51.969, -29.228)  ( 0.01,  0.01,  0.09)
163:     angle   ( 33.558,   7.472, -51.143)  ( 33.561,   7.474, -51.139)  ( 0.01,  0.03,  0.01)
163:     torsion (  6.518, -34.470,  -2.904)  (  6.518, -34.469,  -2.904)  ( 0.00,  0.00,  0.00)
163:     vdw     (  1.574,   5.965,   4.845)  (  1.574,   5.965,   4.845)  ( 0.01,  0.00,  0.00)
163:     electro (  2.450,   0.409,  -0.145)  (  2.450,   0.409,  -0.145)  ( 0.00,  0.00,  0.00)
163: 35       ( 13.120,  -4.680,  -3.985)  ( 13.149,  -4.674,  -3.983)  ( 0.22,  0.11,  0.04)
163:     bond    ( 16.867,  -0.230,  -1.803)  ( 16.896,  -0.230,  -1.803)  ( 0.17,  0.00,  0.02)
163:     angle   ( -0.250,  -5.004,  -1.704)  ( -0.250,  -4.999,  -1.703)  ( 0.00,  0.10,  0.03)
163:     torsion ( -0.098,   0.340,  -0.959)  ( -0.098,   0.340,  -0.958)  ( 0.00,  0.00,  0.06)
163:     vdw     ( -2.257,   0.053,   0.249)  ( -2.257,   0.053,   0.249)  ( 0.00,  0.00,  0.00)
163:     electro ( -1.143,   0.162,   0.231)  ( -1.143,   0.162,   0.231)  ( 0.00,  0.00,  0.00)
163: 36       (  0.006, -15.359,  -3.544)  (  0.016, -15.338,  -3.540)  ( 0.01,  0.14,  0.10)
163:     bond    (  7.720, -14.222,  -5.441)  (  7.726, -14.202,  -5.438)  ( 0.08,  0.14,  0.06)
163:     angle   ( -6.523,  -3.314,  -0.610)  ( -6.519,  -3.312,  -0.610)  ( 0.07,  0.03,  0.00)
163:     torsion (  0.113,  -0.467,   1.379)  (  0.113,  -0.467,   1.380)  ( 0.00,  0.00,  0.05)
163:     vdw     ( -1.472,   1.894,   0.739)  ( -1.472,   1.894,   0.739)  ( 0.01,  0.00,  0.00)
163:     electro (  0.168,   0.749,   0.389)  (  0.168,   0.749,   0.389)  ( 0.00,  0.00,  0.00)
163: 37       ( -1.645, -23.765, -11.107)  ( -1.633, -23.744, -11.104)  ( 0.76,  0.09,  0.02)
163:     bond    ( -8.146, -13.043,  -3.758)  ( -8.138, -13.023,  -3.756)  ( 0.09,  0.15,  0.05)
163:     angle   ( 22.101, -12.124,  -5.860)  ( 22.105, -12.123,  -5.860)  ( 0.02,  0.01,  0.01)
163:     torsion (  0.229,  -0.865,   2.502)  (  0.229,  -0.865,   2.503)  ( 0.00,  0.01,  0.03)
163:     vdw     (-17.378,   2.284,  -4.976)  (-17.377,   2.284,  -4.976)  ( 0.00,  0.01,  0.00)
163:     electro (  1.549,  -0.016,   0.985)  (  1.549,  -0.016,   0.985)  ( 0.00,  0.00,  0.00)
163: 38       (  8.408,  13.534,   1.843)  (  8.418,  13.556,   1.846)  ( 0.13,  0.16,  0.20)
163:     bond    ( -4.650,   8.801,   3.291)  ( -4.644,   8.822,   3.294)  ( 0.12,  0.23,  0.09)
163:     angle   ( 17.462,   8.623,   1.530)  ( 17.466,   8.624,   1.530)  ( 0.03,  0.01,  0.00)
163:     torsion ( -0.168,   0.870,  -2.570)  ( -0.168,   0.870,  -2.569)  ( 0.00,  0.01,  0.03)
163:     vdw     ( -3.024,  -4.212,  -0.222)  ( -3.024,  -4.212,  -0.222)  ( 0.01,  0.00,  0.00)
163:     electro ( -1.211,  -0.549,  -0.187)  ( -1.211,  -0.549,  -0.187)  ( 0.00,  0.00,  0.00)
163: 39       ( 10.765,   9.918,  -1.617)  ( 10.778,   9.939,  -1.615)  ( 0.12,  0.21,  0.15)
163:     bond    (  8.882,  13.515,   3.463)  (  8.890,  13.534,   3.465)  ( 0.09,  0.14,  0.04)
163:     angle   (  3.987,  -2.305,  -1.242)  (  3.991,  -2.304,  -1.242)  ( 0.10,  0.06,  0.03)
163:     torsion ( -0.368,   1.081,  -3.282)  ( -0.368,   1.082,  -3.282)  ( 0.00,  0.01,  0.02)
163:     vdw     ( -1.312,  -1.866,  -0.453)  ( -1.312,  -1.866,  -0.453)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.425,  -0.508,  -0.102)  ( -0.425,  -0.508,  -0.102)  ( 0.00,  0.00,  0.00)
163: 40       (-19.395, 112.685, -25.588)  (-19.386, 112.700, -25.575)  ( 0.05,  0.01,  0.05)
163:     bond    (-28.621,  47.221,  42.215)  (-28.616,  47.235,  42.226)  ( 0.02,  0.03,  0.03)
163:     angle   ( -8.824,   0.753,  -6.820)  ( -8.821,   0.753,  -6.820)  ( 0.04,  0.03,  0.01)
163:     torsion ( 17.980,  42.007, -34.806)  ( 17.980,  42.007, -34.805)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.332,  20.683, -26.047)  ( -2.331,  20.683, -26.047)  ( 0.02,  0.00,  0.00)
163:     electro (  2.402,   2.022,  -0.130)  (  2.402,   2.022,  -0.130)  ( 0.00,  0.00,  0.00)
163: 41       (-69.377, -53.313,  26.652)  (-69.353, -53.296,  26.653)  ( 0.03,  0.03,  0.00)
163:     bond    ( 32.496, -18.726,   5.332)  ( 32.517, -18.719,   5.332)  ( 0.07,  0.04,  0.01)
163:     angle   (-53.205, -90.112,   8.124)  (-53.204, -90.108,   8.124)  ( 0.00,  0.01,  0.00)
163:     torsion (  1.029,  -1.765, -12.473)  (  1.029,  -1.765, -12.473)  ( 0.00,  0.00,  0.01)
163:     vdw     (-49.387,  55.775,  24.800)  (-49.386,  55.780,  24.800)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.309,   1.516,   0.870)  ( -0.309,   1.516,   0.870)  ( 0.00,  0.00,  0.00)
163: 42       ( 19.714,  21.792,  18.497)  ( 19.735,  21.805,  18.499)  ( 0.11,  0.06,  0.01)
163:     bond    (-10.363,   6.911,   2.336)  (-10.343,   6.920,   2.337)  ( 0.19,  0.12,  0.04)
163:     angle   ( 26.400,  39.285,   0.517)  ( 26.401,  39.289,   0.517)  ( 0.01,  0.01,  0.00)
163:     torsion ( -1.585,   1.240, -10.682)  ( -1.584,   1.240, -10.682)  ( 0.00,  0.00,  0.01)
163:     vdw     (  5.474, -26.880,  23.842)  (  5.474, -26.879,  23.843)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.212,   1.236,   2.483)  ( -0.212,   1.236,   2.483)  ( 0.00,  0.00,  0.00)
163: 43       (  9.715,   8.359,   2.930)  (  9.740,   8.368,   2.931)  ( 0.26,  0.11,  0.03)
163:     bond    ( 14.301,   6.147,  -0.831)  ( 14.325,   6.152,  -0.830)  ( 0.17,  0.07,  0.01)
163:     angle   ( -1.761,   4.174,   0.598)  ( -1.760,   4.179,   0.598)  ( 0.05,  0.11,  0.01)
163:     torsion (  0.282,  -0.288,   2.724)  (  0.282,  -0.288,   2.725)  ( 0.00,  0.00,  0.03)
163:     vdw     ( -2.337,  -1.262,  -0.140)  ( -2.337,  -1.262,  -0.140)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.770,  -0.413,   0.578)  ( -0.770,  -0.413,   0.578)  ( 0.00,  0.00,  0.00)
163: 44       ( -8.045,   9.666,   3.235)  ( -8.039,   9.694,   3.236)  ( 0.08,  0.29,  0.03)
163:     bond    (  1.544,  12.383,   1.114)  (  1.545,  12.412,   1.114)  ( 0.03,  0.23,  0.03)
163:     angle   ( -9.291,   1.062,   1.043)  ( -9.286,   1.062,   1.043)  ( 0.06,  0.01,  0.00)
163:     torsion (  0.121,  -0.133,   1.312)  (  0.121,  -0.133,   1.313)  ( 0.00,  0.00,  0.06)
163:     vdw     ( -0.297,  -2.246,  -0.246)  ( -0.297,  -2.246,  -0.246)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.122,  -1.401,   0.012)  ( -0.122,  -1.401,   0.012)  ( 0.00,  0.00,  0.00)
163: 45       (-20.489,  -1.793,  -0.197)  (-20.468,  -1.779,  -0.196)  ( 0.10,  0.77,  0.02)
163:     bond    (-15.530,  11.287,   2.391)  (-15.511,  11.296,   2.392)  ( 0.12,  0.09,  0.02)
163:     angle   ( -7.148,  -9.776,  -0.187)  ( -7.146,  -9.773,  -0.187)  ( 0.03,  0.04,  0.00)
163:     torsion ( -0.198,   0.179,  -2.132)  ( -0.198,   0.179,  -2.132)  ( 0.00,  0.00,  0.04)
163:     vdw     (  1.583,  -2.939,  -0.285)  (  1.583,  -2.939,  -0.285)  ( 0.00,  0.01,  0.00)
163:     electro (  0.804,  -0.544,   0.016)  (  0.804,  -0.544,   0.016)  ( 0.00,  0.00,  0.00)
163: 46       (-46.238, -62.524, -18.907)  (-46.212, -62.511, -18.906)  ( 0.06,  0.02,  0.01)
163:     bond    (-11.826,  -4.182,   1.104)  (-11.800,  -4.179,   1.104)  ( 0.22,  0.08,  0.03)
163:     angle   (-21.089,  61.421,   7.120)  (-21.088,  61.427,   7.120)  ( 0.00,  0.01,  0.00)
163:     torsion ( -0.097,   0.023,  -0.953)  ( -0.097,   0.023,  -0.953)  ( 0.00,  0.00,  0.07)
163:     vdw     (-12.557, -119.814, -26.018)  (-12.557, -119.810, -26.019)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.669,   0.028,  -0.158)  ( -0.669,   0.028,  -0.158)  ( 0.00,  0.00,  0.00)
163: 47       ( -5.094,   7.629,  -4.637)  ( -5.086,   7.633,  -4.614)  ( 0.15,  0.05,  0.49)
163:     bond    (  0.337,   0.107,   0.688)  (  0.343,   0.108,   0.710)  ( 0.17,  0.01,  1.52)
163:     angle   ( -5.784,   5.773,   1.912)  ( -5.782,   5.776,   1.912)  ( 0.04,  0.05,  0.03)
163:     torsion (  1.105,   8.313,  -1.798)  (  1.105,   8.313,  -1.798)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -0.752,  -6.565,  -5.438)  ( -0.752,  -6.564,  -5.438)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 48       (-12.714, -49.529,  -2.800)  (-12.692, -49.520,  -2.796)  ( 0.18,  0.02,  0.15)
163:     bond    (-45.403, -22.360,  -5.878)  (-45.381, -22.354,  -5.878)  ( 0.05,  0.02,  0.00)
163:     angle   ( 25.355, -52.296,   3.108)  ( 25.356, -52.292,   3.112)  ( 0.00,  0.01,  0.12)
163:     torsion (  2.076,  -5.961,   6.639)  (  2.076,  -5.961,   6.639)  ( 0.00,  0.00,  0.00)
163:     vdw     (  5.257,  31.087,  -6.670)  (  5.257,  31.088,  -6.669)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 49       ( 29.104, -15.468,  26.637)  ( 29.109, -15.464,  26.663)  ( 0.02,  0.02,  0.10)
163:     bond    (  8.691,  -1.170,  31.882)  (  8.693,  -1.171,  31.908)  ( 0.02,  0.01,  0.08)
163:     angle   ( 17.852, -22.195,  -5.679)  ( 17.856, -22.191,  -5.679)  ( 0.02,  0.02,  0.00)
163:     torsion (  3.717,   7.207,  -0.748)  (  3.717,   7.207,  -0.748)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -1.156,   0.690,   1.183)  ( -1.156,   0.690,   1.183)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 50       ( 17.226,  18.672,  -6.621)  ( 17.231,  18.698,  -6.616)  ( 0.03,  0.14,  0.08)
163:     bond    ( -2.772,  16.961,  -4.316)  ( -2.771,  16.986,  -4.315)  ( 0.02,  0.15,  0.04)
163:     angle   ( 54.172,   5.135, -14.584)  ( 54.176,   5.135, -14.580)  ( 0.01,  0.01,  0.02)
163:     torsion ( -5.480,  -2.138,  -4.896)  ( -5.480,  -2.138,  -4.896)  ( 0.00,  0.00,  0.00)
163:     vdw     (-28.694,  -1.286,  17.174)  (-28.693,  -1.286,  17.174)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 51       (-33.794,  24.274, -40.682)  (-33.779,  24.281, -40.666)  ( 0.04,  0.03,  0.04)
163:     bond    ( 30.352, -12.598, -34.901)  ( 30.363, -12.597, -34.887)  ( 0.04,  0.01,  0.04)
163:     angle   (  7.193, -51.789,  24.959)  (  7.196, -51.786,  24.961)  ( 0.03,  0.01,  0.01)
163:     torsion (  2.155,  -1.693,   2.487)  (  2.155,  -1.693,   2.487)  ( 0.00,  0.00,  0.00)
163:     vdw     (-73.494,  90.354, -33.227)  (-73.493,  90.357, -33.227)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 52       (-24.612,   5.524,  -7.324)  (-24.604,   5.545,  -7.317)  ( 0.03,  0.39,  0.09)
163:     bond    ( -6.378,  13.625,  -4.792)  ( -6.374,  13.645,  -4.789)  ( 0.07,  0.15,  0.05)
163:     angle   (-44.477, -15.621,  14.682)  (-44.474, -15.620,  14.686)  ( 0.01,  0.01,  0.02)
163:     torsion (  0.169,  -0.561,  -1.823)  (  0.169,  -0.560,  -1.822)  ( 0.00,  0.00,  0.01)
163:     vdw     ( 26.075,   8.080, -15.392)  ( 26.075,   8.080, -15.392)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 53       ( -3.184,  -0.113,  25.824)  ( -3.174,  -0.108,  25.845)  ( 0.33,  0.06,  0.08)
163:     bond    ( 16.833,   6.637,  27.999)  ( 16.840,   6.638,  28.018)  ( 0.04,  0.01,  0.07)
163:     angle   (  4.218, -41.377,   7.264)  (  4.221, -41.373,   7.265)  ( 0.07,  0.01,  0.02)
163:     torsion ( -0.788,   0.868,   0.268)  ( -0.788,   0.868,   0.268)  ( 0.01,  0.01,  0.00)
163:     vdw     (-23.447,  33.759,  -9.706)  (-23.447,  33.760,  -9.706)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 54       ( 81.847, -35.310,  -1.568)  ( 81.851, -35.301,  -1.545)  ( 0.01,  0.03,  1.51)
163:     bond    (  1.892,  19.246, -43.726)  (  1.892,  19.250, -43.702)  ( 0.01,  0.02,  0.05)
163:     angle   (  2.957,  31.634,  14.063)  (  2.960,  31.638,  14.064)  ( 0.10,  0.01,  0.00)
163:     torsion (  1.196,   2.026,   0.944)  (  1.196,   2.026,   0.944)  ( 0.00,  0.01,  0.00)
163:     vdw     ( 75.802, -88.217,  27.149)  ( 75.804, -88.215,  27.149)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 55       ( 40.739,  13.177,  25.000)  ( 40.743,  13.194,  25.016)  ( 0.01,  0.13,  0.06)
163:     bond    ( -1.726,  27.095,  26.826)  ( -1.726,  27.109,  26.840)  ( 0.01,  0.05,  0.05)
163:     angle   ( 22.711,  16.443, -15.151)  ( 22.714,  16.445, -15.149)  ( 0.01,  0.01,  0.01)
163:     torsion ( -1.073,  -1.363,   1.308)  ( -1.073,  -1.363,   1.308)  ( 0.00,  0.00,  0.01)
163:     vdw     ( 20.827, -28.997,  12.017)  ( 20.828, -28.996,  12.017)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 56       ( 27.462,  23.808,  27.353)  ( 27.466,  23.818,  27.375)  ( 0.02,  0.04,  0.08)
163:     bond    ( -0.412,  -4.156,   7.487)  ( -0.412,  -4.149,   7.508)  ( 0.00,  0.16,  0.28)
163:     angle   ( -6.861,   6.239,   3.072)  ( -6.858,   6.242,   3.073)  ( 0.04,  0.04,  0.03)
163:     torsion (  3.628,  -1.846,  -0.821)  (  3.628,  -1.846,  -0.821)  ( 0.00,  0.01,  0.00)
163:     vdw     ( 31.106,  23.571,  17.615)  ( 31.107,  23.572,  17.615)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 57       (  5.898,   8.179, -34.688)  (  5.902,   8.194, -34.671)  ( 0.07,  0.18,  0.05)
163:     bond    (  0.673, -10.054, -10.747)  (  0.673, -10.041, -10.733)  ( 0.00,  0.13,  0.14)
163:     angle   (  2.789,   9.500,  -8.716)  (  2.792,   9.501,  -8.714)  ( 0.10,  0.02,  0.02)
163:     torsion ( -3.331,   3.439,  -3.426)  ( -3.331,   3.439,  -3.426)  ( 0.00,  0.00,  0.00)
163:     vdw     (  5.767,   5.294, -11.798)  (  5.768,   5.295, -11.798)  ( 0.02,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 58       ( -5.885,  -8.931, -52.790)  ( -5.882,  -8.918, -52.771)  ( 0.05,  0.14,  0.04)
163:     bond    (  0.309,  11.548, -14.901)  (  0.309,  11.558, -14.884)  ( 0.00,  0.09,  0.12)
163:     angle   ( -5.702,  -5.199,  -4.155)  ( -5.699,  -5.197,  -4.154)  ( 0.05,  0.03,  0.03)
163:     torsion ( -0.002,  -2.821,  -2.191)  ( -0.002,  -2.821,  -2.191)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.490, -12.458, -31.543)  ( -0.490, -12.458, -31.542)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 59       (  9.458,  -4.008,  17.326)  (  9.462,  -3.993,  17.342)  ( 0.04,  0.36,  0.10)
163:     bond    ( -0.858,  -7.737,   8.410)  ( -0.858,  -7.725,   8.425)  ( 0.01,  0.16,  0.18)
163:     angle   (  0.951,  16.311,  15.052)  (  0.953,  16.313,  15.053)  ( 0.28,  0.01,  0.01)
163:     torsion (  6.189,  -5.933,  -4.809)  (  6.189,  -5.933,  -4.809)  ( 0.00,  0.00,  0.00)
163:     vdw     (  3.178,  -6.649,  -1.327)  (  3.178,  -6.649,  -1.327)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 60       (  1.202,   7.569, -16.604)  (  1.206,   7.579, -16.583)  ( 0.36,  0.13,  0.13)
163:     bond    ( -0.741,  -4.985,  -8.670)  ( -0.741,  -4.978,  -8.650)  ( 0.01,  0.14,  0.24)
163:     angle   ( 19.298,  11.561,  -8.309)  ( 19.301,  11.564,  -8.308)  ( 0.02,  0.02,  0.01)
163:     torsion ( -4.603,   8.550,  -4.527)  ( -4.603,   8.550,  -4.527)  ( 0.00,  0.00,  0.00)
163:     vdw     (-12.753,  -7.557,   4.902)  (-12.751,  -7.557,   4.902)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 61       (  0.222,  16.889, -44.780)  (  0.225,  16.915, -44.775)  ( 0.08,  0.15,  0.01)
163:     bond    ( -1.386,  20.860,  -6.064)  ( -1.386,  20.885,  -6.062)  ( 0.00,  0.12,  0.03)
163:     angle   ( -3.325,  -5.687, -18.836)  ( -3.322,  -5.687, -18.834)  ( 0.08,  0.00,  0.01)
163:     torsion (  7.603,  -5.139, -19.445)  (  7.603,  -5.139, -19.445)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.671,   6.856,  -0.436)  ( -2.671,   6.856,  -0.435)  ( 0.02,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 62       (-11.163, -22.804,  19.699)  (-11.158, -22.782,  19.706)  ( 0.04,  0.10,  0.04)
163:     bond    (  5.612, -18.339,   8.759)  (  5.614, -18.318,   8.764)  ( 0.03,  0.11,  0.05)
163:     angle   (-10.045,   6.500,  20.018)  (-10.042,   6.501,  20.021)  ( 0.02,  0.01,  0.02)
163:     torsion ( -6.192,  -3.697,  -3.761)  ( -6.192,  -3.697,  -3.761)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.538,  -7.268,  -5.318)  ( -0.538,  -7.268,  -5.318)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 63       ( -7.929,  12.434, -29.237)  ( -7.923,  12.439, -29.213)  ( 0.08,  0.04,  0.08)
163:     bond    ( -8.382,  -4.333, -22.492)  ( -8.379,  -4.333, -22.469)  ( 0.04,  0.02,  0.10)
163:     angle   (-19.664,  13.436,   4.740)  (-19.662,  13.440,   4.740)  ( 0.01,  0.03,  0.01)
163:     torsion (  2.869,   6.025,  -2.232)  (  2.869,   6.025,  -2.232)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 17.248,  -2.694,  -9.253)  ( 17.248,  -2.694,  -9.253)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 64       ( -4.731, -155.892,  91.597)  ( -4.731, -155.852,  91.604)  ( 0.01,  0.03,  0.01)
163:     bond    (-17.037, -174.637,  46.452)  (-17.036, -174.598,  46.456)  ( 0.01,  0.02,  0.01)
163:     angle   ( -0.653,   3.633,  13.413)  ( -0.653,   3.633,  13.415)  ( 0.00,  0.01,  0.02)
163:     torsion ( 11.026,  -0.870,   0.773)  ( 11.026,  -0.870,   0.773)  ( 0.01,  0.00,  0.00)
163:     vdw     (  0.985,  17.333,  30.587)  (  0.985,  17.333,  30.588)  ( 0.01,  0.00,  0.00)
163:     electro (  0.947,  -1.351,   0.372)  (  0.947,  -1.351,   0.372)  ( 0.00,  0.00,  0.00)
163: 65       (-537.893, -18.195, 271.533)  (-537.846, -18.192, 271.542)  ( 0.01,  0.01,  0.00)
163:     bond    (-318.057, -51.391,   7.139)  (-318.016, -51.389,   7.141)  ( 0.01,  0.01,  0.02)
163:     angle   (  1.368,  -2.834,  40.547)  (  1.369,  -2.834,  40.550)  ( 0.00,  0.00,  0.01)
163:     torsion ( -6.132,  38.351,   2.887)  ( -6.132,  38.352,   2.887)  ( 0.00,  0.00,  0.00)
163:     vdw     (-212.980,  -2.100, 217.731)  (-212.975,  -2.101, 217.735)  ( 0.00,  0.03,  0.00)
163:     electro ( -2.092,  -0.220,   3.229)  ( -2.092,  -0.220,   3.229)  ( 0.00,  0.00,  0.00)
163: ok 14 # gradients 
163: ok 15 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (166.260, -124.810, -60.501)  (166.338, -124.744, -60.475)  ( 0.05,  0.05,  0.04)
163:     bond    (-26.883, -147.726, -90.013)  (-26.816, -147.672, -89.993)  ( 0.25,  0.04,  0.02)
163:     angle   (190.780,  16.997,  38.464)  (190.792,  17.008,  38.468)  ( 0.01,  0.06,  0.01)
163:     torsion (  1.643,   5.589,  -9.269)  (  1.643,   5.590,  -9.267)  ( 0.00,  0.01,  0.02)
163:     vdw     (  1.136,   0.027,   0.420)  (  1.136,   0.027,   0.420)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.417,   0.303,  -0.103)  ( -0.417,   0.303,  -0.103)  ( 0.00,  0.00,  0.00)
163:  2       (-297.442,  96.061,  13.554)  (-297.360,  96.124,  13.580)  ( 0.03,  0.07,  0.19)
163:     bond    (-129.145, 138.142,  49.204)  (-129.074, 138.195,  49.224)  ( 0.06,  0.04,  0.04)
163:     angle   (-166.550, -33.495, -45.045)  (-166.539, -33.485, -45.042)  ( 0.01,  0.03,  0.01)
163:     torsion ( -2.365,  -6.507,  10.958)  ( -2.365,  -6.506,  10.961)  ( 0.01,  0.01,  0.02)
163:     vdw     (  0.160,  -1.116,  -0.733)  (  0.160,  -1.116,  -0.733)  ( 0.00,  0.00,  0.00)
163:     electro (  0.459,  -0.964,  -0.830)  (  0.459,  -0.964,  -0.830)  ( 0.00,  0.00,  0.00)
163:  3       ( -9.374,  44.901,  10.754)  ( -9.292,  44.960,  10.779)  ( 0.88,  0.13,  0.23)
163:     bond    ( 19.883, -14.941,   1.560)  ( 19.953, -14.890,   1.579)  ( 0.35,  0.34,  1.26)
163:     angle   (-34.122,  46.870,  31.364)  (-34.110,  46.878,  31.368)  ( 0.03,  0.02,  0.01)
163:     torsion (  4.521,  13.586, -22.108)  (  4.521,  13.587, -22.106)  ( 0.00,  0.01,  0.01)
163:     vdw     (  0.345,  -0.614,  -0.062)  (  0.345,  -0.614,  -0.062)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (-124.051, -215.622, -108.163)  (-123.960, -215.557, -108.137)  ( 0.07,  0.03,  0.02)
163:     bond    (-57.493, -82.447, -62.641)  (-57.414, -82.393, -62.620)  ( 0.14,  0.06,  0.03)
163:     angle   (-65.102, -130.239, -41.819)  (-65.090, -130.228, -41.816)  ( 0.02,  0.01,  0.01)
163:     torsion ( -0.390,  -1.566,  -3.103)  ( -0.390,  -1.565,  -3.101)  ( 0.00,  0.06,  0.06)
163:     vdw     ( -1.066,  -1.370,  -0.600)  ( -1.066,  -1.370,  -0.600)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-96.373, -281.104, -157.053)  (-96.286, -281.046, -157.025)  ( 0.09,  0.02,  0.02)
163:     bond    ( 35.164, -188.308, -106.187)  ( 35.239, -188.263, -106.166)  ( 0.21,  0.02,  0.02)
163:     angle   (-128.195, -84.691, -69.739)  (-128.183, -84.679, -69.735)  ( 0.01,  0.01,  0.01)
163:     torsion ( -3.475, -11.451,  18.110)  ( -3.475, -11.450,  18.112)  ( 0.00,  0.01,  0.01)
163:     vdw     (  0.841,   0.225,   0.383)  (  0.841,   0.225,   0.383)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.709,   3.122,   0.381)  ( -0.709,   3.122,   0.381)  ( 0.00,  0.00,  0.00)
163:  6       (135.392, 231.857,  41.616)  (135.485, 231.944,  41.619)  ( 0.07,  0.04,  0.01)
163:     bond    ( 63.298,  98.989, -13.836)  ( 63.378,  99.062, -13.837)  ( 0.13,  0.07,  0.00)
163:     angle   ( 70.873, 127.550,  32.227)  ( 70.885, 127.563,  32.227)  ( 0.02,  0.01,  0.00)
163:     torsion (  0.010,   3.655,  22.816)  (  0.010,   3.656,  22.819)  ( 0.00,  0.01,  0.01)
163:     vdw     (  1.212,   1.662,   0.409)  (  1.212,   1.662,   0.409)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       (123.249, 325.409, -71.352)  (123.338, 325.486, -71.347)  ( 0.07,  0.02,  0.01)
163:     bond    (-21.296, 213.826, -37.139)  (-21.219, 213.888, -37.137)  ( 0.36,  0.03,  0.01)
163:     angle   (144.375, 118.592, -11.308)  (144.387, 118.608, -11.308)  ( 0.01,  0.01,  0.01)
163:     torsion (  0.299,  -3.704, -22.297)  (  0.299,  -3.704, -22.295)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.931,  -0.274,   0.221)  ( -0.931,  -0.274,   0.221)  ( 0.00,  0.00,  0.00)
163:     electro (  0.801,  -3.032,  -0.829)  (  0.801,  -3.032,  -0.829)  ( 0.00,  0.00,  0.00)
163:  8       (-173.670, 141.930,   1.489)  (-173.590, 142.018,   1.491)  ( 0.05,  0.06,  0.11)
163:     bond    ( 35.279, 170.381, -15.404)  ( 35.347, 170.453, -15.405)  ( 0.19,  0.04,  0.00)
163:     angle   (-208.439, -28.829,   7.088)  (-208.427, -28.814,   7.087)  ( 0.01,  0.05,  0.01)
163:     torsion (  0.235,   0.811,   9.763)  (  0.235,   0.811,   9.766)  ( 0.00,  0.00,  0.03)
163:     vdw     ( -1.182,  -0.171,   0.176)  ( -1.182,  -0.171,   0.176)  ( 0.00,  0.00,  0.00)
163:     electro (  0.437,  -0.262,  -0.133)  (  0.437,  -0.262,  -0.133)  ( 0.00,  0.00,  0.00)
163:  9       (301.704, -104.522,  13.779)  (301.791, -104.438,  13.781)  ( 0.03,  0.08,  0.01)
163:     bond    (124.141, -150.653,   6.072)  (124.216, -150.583,   6.071)  ( 0.06,  0.05,  0.01)
163:     angle   (177.366,  42.267,  -6.026)  (177.378,  42.281,  -6.026)  ( 0.01,  0.03,  0.01)
163:     torsion (  0.582,   1.393,  14.392)  (  0.582,   1.393,  14.396)  ( 0.00,  0.00,  0.02)
163:     vdw     ( -0.014,   1.237,  -0.267)  ( -0.014,   1.237,  -0.267)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.371,   1.234,  -0.393)  ( -0.371,   1.234,  -0.393)  ( 0.00,  0.00,  0.00)
163: 10       ( -9.031, -36.657,  -1.954)  ( -8.947, -36.577,  -1.951)  ( 0.93,  0.22,  0.14)
163:     bond    (-21.325,  13.809,   7.460)  (-21.252,  13.878,   7.459)  ( 0.34,  0.50,  0.01)
163:     angle   ( 13.345, -47.372,  23.451)  ( 13.357, -47.361,  23.452)  ( 0.09,  0.02,  0.00)
163:     torsion ( -0.719,  -3.690, -33.032)  ( -0.719,  -3.690, -33.029)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.333,   0.596,   0.167)  ( -0.333,   0.596,   0.168)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       (-336.506, -447.392,  64.729)  (-336.459, -447.339,  64.774)  ( 0.01,  0.01,  0.07)
163:     bond    (-120.022, -230.427,  22.445)  (-119.988, -230.387,  22.481)  ( 0.03,  0.02,  0.16)
163:     angle   (-216.364, -217.710,  35.994)  (-216.351, -217.696,  36.003)  ( 0.01,  0.01,  0.02)
163:     torsion (  0.153,   0.539,   5.921)  (  0.153,   0.539,   5.921)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.273,   0.205,   0.368)  ( -0.273,   0.205,   0.368)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       ( 46.356, -46.809,   0.794)  ( 46.380, -46.798,   0.794)  ( 0.05,  0.02,  0.02)
163:     bond    ( 11.340,   6.435,  -0.602)  ( 11.362,   6.442,  -0.602)  ( 0.19,  0.11,  0.00)
163:     angle   ( 29.821, -51.986,   6.570)  ( 29.823, -51.982,   6.570)  ( 0.01,  0.01,  0.01)
163:     torsion ( -0.085,  -0.362,  -5.488)  ( -0.085,  -0.362,  -5.487)  ( 0.00,  0.00,  0.02)
163:     vdw     (  2.804,  -0.728,   0.159)  (  2.804,  -0.728,   0.159)  ( 0.00,  0.00,  0.00)
163:     electro (  2.476,  -0.168,   0.155)  (  2.476,  -0.168,   0.155)  ( 0.00,  0.00,  0.00)
163: 13       (-43.636, -62.095,   8.066)  (-43.618, -62.079,   8.066)  ( 0.04,  0.03,  0.01)
163:     bond    (  6.870,  -6.372,   0.515)  (  6.886,  -6.359,   0.515)  ( 0.23,  0.21,  0.00)
163:     angle   (-50.625, -54.068,   9.337)  (-50.623, -54.064,   9.337)  ( 0.00,  0.01,  0.00)
163:     torsion ( -0.046,  -0.212,  -2.002)  ( -0.046,  -0.212,  -2.002)  ( 0.00,  0.00,  0.04)
163:     vdw     (  0.398,  -0.320,  -0.098)  (  0.398,  -0.320,  -0.098)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.233,  -1.124,   0.314)  ( -0.233,  -1.124,   0.314)  ( 0.00,  0.00,  0.00)
163: 14       (308.284, 404.996, 275.217)  (308.332, 405.047, 275.264)  ( 0.02,  0.01,  0.02)
163:     bond    (107.886, 194.366, 137.411)  (107.920, 194.406, 137.448)  ( 0.03,  0.02,  0.03)
163:     angle   (200.875, 213.264, 133.858)  (200.889, 213.276, 133.868)  ( 0.01,  0.01,  0.01)
163:     torsion ( -0.757,  -2.266,   3.729)  ( -0.757,  -2.265,   3.730)  ( 0.00,  0.00,  0.01)
163:     vdw     (  0.279,  -0.369,   0.219)  (  0.280,  -0.369,   0.219)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 15       (-44.147,  39.860,  11.226)  (-44.125,  39.868,  11.231)  ( 0.05,  0.02,  0.05)
163:     bond    (-10.739,  -4.993,  -5.106)  (-10.719,  -4.989,  -5.102)  ( 0.19,  0.09,  0.09)
163:     angle   (-28.282,  44.652,  15.753)  (-28.281,  44.655,  15.753)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.151,  -0.525,   0.829)  ( -0.151,  -0.525,   0.830)  ( 0.00,  0.01,  0.05)
163:     vdw     ( -2.532,   0.555,  -0.056)  ( -2.532,   0.555,  -0.056)  ( 0.00,  0.00,  0.00)
163:     electro ( -2.442,   0.172,  -0.193)  ( -2.442,   0.172,  -0.193)  ( 0.00,  0.00,  0.00)
163: 16       ( 38.574,  50.678,  41.047)  ( 38.592,  50.691,  41.050)  ( 0.05,  0.03,  0.01)
163:     bond    ( -7.428,   5.996,   2.147)  ( -7.412,   6.007,   2.149)  ( 0.22,  0.18,  0.06)
163:     angle   ( 46.271,  43.224,  38.774)  ( 46.273,  43.226,  38.776)  ( 0.00,  0.01,  0.00)
163:     torsion (  0.129,   0.355,  -0.548)  (  0.129,   0.355,  -0.548)  ( 0.00,  0.01,  0.03)
163:     vdw     ( -0.555,   0.208,  -0.096)  ( -0.555,   0.208,  -0.096)  ( 0.00,  0.00,  0.00)
163:     electro (  0.157,   0.896,   0.769)  (  0.157,   0.896,   0.769)  ( 0.00,  0.00,  0.00)
163: 17       ( 71.455, 185.399, 120.770)  ( 71.462, 185.421, 120.779)  ( 0.01,  0.01,  0.01)
163:     bond    (-22.457, 185.029, 106.355)  (-22.456, 185.051, 106.363)  ( 0.01,  0.01,  0.01)
163:     angle   ( 88.062,  -0.258,  19.043)  ( 88.067,  -0.258,  19.043)  ( 0.01,  0.00,  0.00)
163:     torsion (  0.626,   1.802,  -3.004)  (  0.626,   1.802,  -3.003)  ( 0.00,  0.01,  0.02)
163:     vdw     ( -0.029,  -0.116,  -2.337)  ( -0.029,  -0.116,  -2.337)  ( 0.00,  0.00,  0.00)
163:     electro (  5.254,  -1.057,   0.713)  (  5.254,  -1.057,   0.713)  ( 0.00,  0.00,  0.00)
163: 18       (-95.247, -212.706,  45.184)  (-95.241, -212.677,  45.186)  ( 0.01,  0.01,  0.01)
163:     bond    (  9.361, -210.545,  37.181)  (  9.362, -210.516,  37.183)  ( 0.01,  0.01,  0.01)
163:     angle   (-100.474,  -5.213,  -4.217)  (-100.469,  -5.213,  -4.217)  ( 0.01,  0.00,  0.00)
163:     torsion ( -0.174,   2.516,  14.287)  ( -0.174,   2.516,  14.287)  ( 0.00,  0.00,  0.00)
163:     vdw     (  1.452,  -0.345,  -2.215)  (  1.452,  -0.345,  -2.215)  ( 0.02,  0.00,  0.00)
163:     electro ( -5.413,   0.881,   0.149)  ( -5.413,   0.881,   0.149)  ( 0.00,  0.00,  0.00)
163: 19       (-84.920, -114.935, -67.235)  (-84.906, -114.922, -67.225)  ( 0.02,  0.01,  0.01)
163:     bond    ( 31.603, -31.324, -25.273)  ( 31.614, -31.314, -25.266)  ( 0.03,  0.03,  0.03)
163:     angle   (-117.689, -84.412, -42.640)  (-117.686, -84.410, -42.637)  ( 0.00,  0.00,  0.01)
163:     torsion ( -0.008,   0.089,  -0.120)  ( -0.008,   0.089,  -0.120)  ( 0.00,  0.00,  0.00)
163:     vdw     (  1.174,   0.712,   0.799)  (  1.174,   0.712,   0.799)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       (-48.107, -72.235, -69.589)  (-48.093, -72.229, -69.574)  ( 0.03,  0.01,  0.02)
163:     bond    (-37.263,  17.611, -41.184)  (-37.252,  17.614, -41.170)  ( 0.03,  0.02,  0.03)
163:     angle   (-10.876, -89.876, -28.612)  (-10.874, -89.872, -28.611)  ( 0.02,  0.00,  0.01)
163:     torsion ( -0.096,  -0.011,   0.083)  ( -0.096,  -0.011,   0.083)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.129,   0.040,   0.124)  (  0.129,   0.040,   0.124)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 21       (-41.116, -95.064, -44.322)  (-41.105, -95.050, -44.310)  ( 0.03,  0.01,  0.03)
163:     bond    (-30.031, -36.047,  31.516)  (-30.023, -36.035,  31.525)  ( 0.03,  0.03,  0.03)
163:     angle   ( -8.296, -60.639, -77.213)  ( -8.293, -60.637, -77.210)  ( 0.03,  0.00,  0.00)
163:     torsion (  0.117,  -0.076,   0.025)  (  0.117,  -0.076,   0.025)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.906,   1.698,   1.350)  ( -2.905,   1.698,   1.350)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 22       ( 48.033, 132.616, -33.392)  ( 48.055, 132.620, -33.383)  ( 0.05,  0.00,  0.03)
163:     bond    ( 52.153,   0.195, -26.552)  ( 52.176,   0.195, -26.546)  ( 0.04,  0.01,  0.02)
163:     angle   ( -4.570, 133.610,  -8.002)  ( -4.569, 133.613,  -7.999)  ( 0.02,  0.00,  0.03)
163:     torsion ( -0.007,   0.002,  -0.014)  ( -0.007,   0.002,  -0.014)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.456,  -1.191,   1.177)  (  0.456,  -1.191,   1.177)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 23       ( 67.190,  61.826,  20.295)  ( 67.195,  61.834,  20.318)  ( 0.01,  0.01,  0.11)
163:     bond    ( 10.644,  23.335,  49.973)  ( 10.645,  23.340,  49.996)  ( 0.01,  0.02,  0.04)
163:     angle   ( 56.121,  38.461, -29.908)  ( 56.125,  38.464, -29.907)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.016,   0.008,  -0.000)  ( -0.016,   0.008,  -0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.441,   0.023,   0.229)  (  0.442,   0.023,   0.229)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 24       ( 96.003,  97.427, -55.295)  ( 96.013,  97.441, -55.284)  ( 0.01,  0.02,  0.02)
163:     bond    (-24.478,  34.857, -28.158)  (-24.471,  34.870, -28.149)  ( 0.03,  0.04,  0.03)
163:     angle   (121.516,  63.126, -27.444)  (121.519,  63.128, -27.442)  ( 0.00,  0.00,  0.01)
163:     torsion ( -0.027,   0.017,   0.045)  ( -0.027,   0.017,   0.045)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -1.008,  -0.574,   0.262)  ( -1.008,  -0.574,   0.262)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 16 # gradients 
163: ok 17 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (763.591, 211.175, -129.938)  (763.686, 211.256, -129.900)  ( 0.01,  0.04,  0.03)
163:     bond    (760.485, 208.396, -131.774)  (760.571, 208.466, -131.744)  ( 0.01,  0.03,  0.02)
163:     angle   ( -0.453,   0.202,  -0.114)  ( -0.445,   0.212,  -0.107)  ( 0.38,  0.20,  0.07)
163:     torsion ( -0.043,   0.042,   0.071)  ( -0.042,   0.043,   0.072)  ( 0.00,  0.00,  0.01)
163:     vdw     (  3.603,   2.535,   1.878)  (  3.603,   2.535,   1.878)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       ( -0.090, 681.819, -423.091)  ( -0.000, 681.921, -423.070)  ( 0.82,  0.01,  0.01)
163:     bond    ( -0.078, 677.006, -423.243)  (  0.000, 677.098, -423.228)  ( 0.61,  0.01,  0.00)
163:     angle   ( -0.011,   0.072,  -0.295)  ( -0.000,   0.082,  -0.291)  ( 0.01,  0.07,  0.12)
163:     torsion ( -0.001,  -0.016,  -0.052)  ( -0.000,  -0.015,  -0.050)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.000,   4.757,   0.499)  (  0.000,   4.757,   0.499)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       ( -0.090, -682.022, -423.091)  ( -0.000, -681.921, -423.070)  ( 0.82,  0.01,  0.01)
163:     bond    ( -0.078, -677.189, -423.243)  (  0.000, -677.098, -423.228)  ( 0.61,  0.01,  0.00)
163:     angle   ( -0.011,  -0.091,  -0.295)  ( -0.000,  -0.082,  -0.291)  ( 0.01,  0.09,  0.12)
163:     torsion ( -0.001,   0.015,  -0.052)  (  0.000,   0.015,  -0.050)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.000,  -4.757,   0.499)  ( -0.000,  -4.757,   0.499)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (763.591, -211.337, -129.938)  (763.686, -211.256, -129.900)  ( 0.01,  0.04,  0.03)
163:     bond    (760.485, -208.536, -131.774)  (760.571, -208.466, -131.744)  ( 0.01,  0.03,  0.02)
163:     angle   ( -0.453,  -0.222,  -0.114)  ( -0.445,  -0.212,  -0.107)  ( 0.38,  0.22,  0.07)
163:     torsion ( -0.043,  -0.044,   0.071)  ( -0.042,  -0.043,   0.072)  ( 0.00,  0.00,  0.01)
163:     vdw     (  3.603,  -2.535,   1.878)  (  3.603,  -2.535,   1.878)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-341.903, 475.989, -552.554)  (-341.837, 476.081, -552.499)  ( 0.02,  0.02,  0.01)
163:     bond    (-337.801, 473.237, -551.537)  (-337.743, 473.318, -551.490)  ( 0.02,  0.02,  0.01)
163:     angle   ( -0.043,   0.489,   0.094)  ( -0.035,   0.499,   0.101)  ( 0.03,  0.50,  0.06)
163:     torsion (  0.040,   0.033,  -0.048)  (  0.041,   0.034,  -0.046)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -4.099,   2.230,  -1.064)  ( -4.099,   2.230,  -1.064)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (-341.903, -476.173, -552.554)  (-341.837, -476.081, -552.499)  ( 0.02,  0.02,  0.01)
163:     bond    (-337.801, -473.399, -551.537)  (-337.743, -473.318, -551.490)  ( 0.02,  0.02,  0.01)
163:     angle   ( -0.043,  -0.509,   0.094)  ( -0.035,  -0.499,   0.101)  ( 0.03,  0.52,  0.06)
163:     torsion (  0.040,  -0.034,  -0.048)  (  0.041,  -0.034,  -0.046)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -4.099,  -2.230,  -1.064)  ( -4.099,  -2.230,  -1.064)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       (-763.780, 211.175, -129.938)  (-763.686, 211.256, -129.900)  ( 0.01,  0.04,  0.03)
163:     bond    (-760.656, 208.396, -131.774)  (-760.571, 208.466, -131.744)  ( 0.01,  0.03,  0.02)
163:     angle   (  0.436,   0.202,  -0.114)  (  0.445,   0.212,  -0.107)  ( 0.37,  0.20,  0.07)
163:     torsion (  0.042,   0.042,   0.071)  (  0.042,   0.043,   0.072)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -3.603,   2.535,   1.878)  ( -3.603,   2.535,   1.878)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (-763.780, -211.337, -129.938)  (-763.686, -211.256, -129.900)  ( 0.01,  0.04,  0.03)
163:     bond    (-760.656, -208.536, -131.774)  (-760.571, -208.466, -131.744)  ( 0.01,  0.03,  0.02)
163:     angle   (  0.436,  -0.222,  -0.114)  (  0.445,  -0.212,  -0.107)  ( 0.37,  0.22,  0.07)
163:     torsion (  0.042,  -0.044,   0.071)  (  0.042,  -0.043,   0.072)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -3.603,  -2.535,   1.878)  ( -3.603,  -2.535,   1.878)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  9       (475.989, 552.444, 341.770)  (476.081, 552.499, 341.837)  ( 0.02,  0.01,  0.02)
163:     bond    (473.237, 551.443, 337.686)  (473.318, 551.490, 337.743)  ( 0.02,  0.01,  0.02)
163:     angle   (  0.489,  -0.107,   0.027)  (  0.499,  -0.101,   0.035)  ( 0.50,  0.07,  0.02)
163:     torsion (  0.033,   0.045,  -0.041)  (  0.034,   0.046,  -0.041)  ( 0.00,  0.01,  0.00)
163:     vdw     (  2.230,   1.064,   4.099)  (  2.230,   1.064,   4.099)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 10       (129.863, 763.591, 211.175)  (129.900, 763.686, 211.256)  ( 0.03,  0.01,  0.04)
163:     bond    (131.714, 760.485, 208.396)  (131.744, 760.571, 208.466)  ( 0.02,  0.01,  0.03)
163:     angle   (  0.101,  -0.453,   0.202)  (  0.107,  -0.445,   0.212)  ( 0.06,  0.38,  0.20)
163:     torsion ( -0.074,  -0.043,   0.042)  ( -0.072,  -0.042,   0.043)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -1.879,   3.603,   2.535)  ( -1.878,   3.603,   2.535)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       (129.863, -763.780, 211.175)  (129.900, -763.686, 211.256)  ( 0.03,  0.01,  0.04)
163:     bond    (131.714, -760.656, 208.396)  (131.744, -760.571, 208.466)  ( 0.02,  0.01,  0.03)
163:     angle   (  0.101,   0.436,   0.202)  (  0.107,   0.445,   0.212)  ( 0.06,  0.37,  0.20)
163:     torsion ( -0.074,   0.042,   0.042)  ( -0.072,   0.042,   0.043)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -1.879,  -3.603,   2.535)  ( -1.878,  -3.603,   2.535)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (475.989, -552.554, 341.770)  (476.081, -552.499, 341.837)  ( 0.02,  0.01,  0.02)
163:     bond    (473.237, -551.537, 337.686)  (473.318, -551.490, 337.743)  ( 0.02,  0.01,  0.02)
163:     angle   (  0.489,   0.094,   0.027)  (  0.499,   0.101,   0.035)  ( 0.50,  0.06,  0.02)
163:     torsion (  0.033,  -0.048,  -0.041)  (  0.034,  -0.046,  -0.041)  ( 0.00,  0.01,  0.00)
163:     vdw     (  2.230,  -1.064,   4.099)  (  2.230,  -1.064,   4.099)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 13       (552.444, -341.903, -476.173)  (552.499, -341.837, -476.081)  ( 0.01,  0.02,  0.02)
163:     bond    (551.443, -337.801, -473.399)  (551.490, -337.743, -473.318)  ( 0.01,  0.02,  0.02)
163:     angle   ( -0.107,  -0.043,  -0.509)  ( -0.101,  -0.035,  -0.499)  ( 0.07,  0.03,  0.52)
163:     torsion (  0.045,   0.040,  -0.034)  (  0.046,   0.041,  -0.034)  ( 0.01,  0.00,  0.00)
163:     vdw     (  1.064,  -4.099,  -2.230)  (  1.064,  -4.099,  -2.230)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 14       (-211.337, 129.863, -763.780)  (-211.256, 129.900, -763.686)  ( 0.04,  0.03,  0.01)
163:     bond    (-208.536, 131.714, -760.656)  (-208.466, 131.744, -760.571)  ( 0.03,  0.02,  0.01)
163:     angle   ( -0.222,   0.101,   0.436)  ( -0.212,   0.107,   0.445)  ( 0.22,  0.06,  0.37)
163:     torsion ( -0.044,  -0.074,   0.042)  ( -0.043,  -0.072,   0.042)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -2.535,  -1.879,  -3.603)  ( -2.535,  -1.878,  -3.603)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 15       (552.444, -341.903, 475.989)  (552.499, -341.837, 476.081)  ( 0.01,  0.02,  0.02)
163:     bond    (551.443, -337.801, 473.237)  (551.490, -337.743, 473.318)  ( 0.01,  0.02,  0.02)
163:     angle   ( -0.107,  -0.043,   0.489)  ( -0.101,  -0.035,   0.499)  ( 0.07,  0.03,  0.50)
163:     torsion (  0.045,   0.040,   0.033)  (  0.046,   0.041,   0.034)  ( 0.01,  0.00,  0.00)
163:     vdw     (  1.064,  -4.099,   2.230)  (  1.064,  -4.099,   2.230)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 16       (-682.022, 423.048,  -0.090)  (-681.921, 423.070,   0.000)  ( 0.01,  0.01,  0.82)
163:     bond    (-677.189, 423.212,  -0.078)  (-677.098, 423.228,   0.000)  ( 0.01,  0.00,  0.61)
163:     angle   ( -0.091,   0.287,  -0.011)  ( -0.082,   0.291,   0.000)  ( 0.09,  0.11,  0.01)
163:     torsion (  0.015,   0.048,  -0.001)  (  0.015,   0.050,  -0.000)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -4.757,  -0.499,  -0.000)  ( -4.757,  -0.499,  -0.000)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 17       (341.770, -476.173, -552.554)  (341.837, -476.081, -552.499)  ( 0.02,  0.02,  0.01)
163:     bond    (337.686, -473.399, -551.537)  (337.743, -473.318, -551.490)  ( 0.02,  0.02,  0.01)
163:     angle   (  0.027,  -0.509,   0.094)  (  0.035,  -0.499,   0.101)  ( 0.02,  0.52,  0.06)
163:     torsion ( -0.041,  -0.034,  -0.048)  ( -0.041,  -0.034,  -0.046)  ( 0.00,  0.00,  0.01)
163:     vdw     (  4.099,  -2.230,  -1.064)  (  4.099,  -2.230,  -1.064)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 18       (-476.173, 552.444, 341.770)  (-476.081, 552.499, 341.837)  ( 0.02,  0.01,  0.02)
163:     bond    (-473.399, 551.443, 337.686)  (-473.318, 551.490, 337.743)  ( 0.02,  0.01,  0.02)
163:     angle   ( -0.509,  -0.107,   0.027)  ( -0.499,  -0.101,   0.035)  ( 0.52,  0.07,  0.02)
163:     torsion ( -0.034,   0.045,  -0.041)  ( -0.034,   0.046,  -0.041)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -2.230,   1.064,   4.099)  ( -2.230,   1.064,   4.099)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 19       (-211.337, 129.863, 763.591)  (-211.256, 129.900, 763.686)  ( 0.04,  0.03,  0.01)
163:     bond    (-208.536, 131.714, 760.485)  (-208.466, 131.744, 760.571)  ( 0.03,  0.02,  0.01)
163:     angle   ( -0.222,   0.101,  -0.453)  ( -0.212,   0.107,  -0.445)  ( 0.22,  0.06,  0.38)
163:     torsion ( -0.044,  -0.074,  -0.043)  ( -0.043,  -0.072,  -0.042)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -2.535,  -1.879,   3.603)  ( -2.535,  -1.878,   3.603)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       (211.175, 129.863, -763.780)  (211.256, 129.900, -763.686)  ( 0.04,  0.03,  0.01)
163:     bond    (208.396, 131.714, -760.656)  (208.466, 131.744, -760.571)  ( 0.03,  0.02,  0.01)
163:     angle   (  0.202,   0.101,   0.436)  (  0.212,   0.107,   0.445)  ( 0.20,  0.06,  0.37)
163:     torsion (  0.042,  -0.074,   0.042)  (  0.043,  -0.072,   0.042)  ( 0.00,  0.01,  0.00)
163:     vdw     (  2.535,  -1.879,  -3.603)  (  2.535,  -1.878,  -3.603)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 21       (341.770, 475.989, -552.554)  (341.837, 476.081, -552.499)  ( 0.02,  0.02,  0.01)
163:     bond    (337.686, 473.237, -551.537)  (337.743, 473.318, -551.490)  ( 0.02,  0.02,  0.01)
163:     angle   (  0.027,   0.489,   0.094)  (  0.035,   0.499,   0.101)  ( 0.02,  0.50,  0.06)
163:     torsion ( -0.041,   0.033,  -0.048)  ( -0.041,   0.034,  -0.046)  ( 0.00,  0.00,  0.01)
163:     vdw     (  4.099,   2.230,  -1.064)  (  4.099,   2.230,  -1.064)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 22       (423.048,  -0.090, 681.819)  (423.070,  -0.000, 681.921)  ( 0.01,  0.82,  0.01)
163:     bond    (423.212,  -0.078, 677.006)  (423.228,   0.000, 677.098)  ( 0.00,  0.61,  0.01)
163:     angle   (  0.287,  -0.011,   0.072)  (  0.291,  -0.000,   0.082)  ( 0.11,  0.01,  0.07)
163:     torsion (  0.048,  -0.001,  -0.016)  (  0.050,   0.000,  -0.015)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -0.499,  -0.000,   4.757)  ( -0.499,  -0.000,   4.757)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 23       (552.444, 341.770, -476.173)  (552.499, 341.837, -476.081)  ( 0.01,  0.02,  0.02)
163:     bond    (551.443, 337.686, -473.399)  (551.490, 337.743, -473.318)  ( 0.01,  0.02,  0.02)
163:     angle   ( -0.107,   0.027,  -0.509)  ( -0.101,   0.035,  -0.499)  ( 0.07,  0.02,  0.52)
163:     torsion (  0.045,  -0.041,  -0.034)  (  0.046,  -0.041,  -0.034)  ( 0.01,  0.00,  0.00)
163:     vdw     (  1.064,   4.099,  -2.230)  (  1.064,   4.099,  -2.230)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 24       (-129.938, -763.780, 211.175)  (-129.900, -763.686, 211.256)  ( 0.03,  0.01,  0.04)
163:     bond    (-131.774, -760.656, 208.396)  (-131.744, -760.571, 208.466)  ( 0.02,  0.01,  0.03)
163:     angle   ( -0.114,   0.436,   0.202)  ( -0.107,   0.445,   0.212)  ( 0.07,  0.37,  0.20)
163:     torsion (  0.071,   0.042,   0.042)  (  0.072,   0.042,   0.043)  ( 0.01,  0.00,  0.00)
163:     vdw     (  1.878,  -3.603,   2.535)  (  1.878,  -3.603,   2.535)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 25       (-211.337, -129.938, -763.780)  (-211.256, -129.900, -763.686)  ( 0.04,  0.03,  0.01)
163:     bond    (-208.536, -131.774, -760.656)  (-208.466, -131.744, -760.571)  ( 0.03,  0.02,  0.01)
163:     angle   ( -0.222,  -0.114,   0.436)  ( -0.212,  -0.107,   0.445)  ( 0.22,  0.07,  0.37)
163:     torsion ( -0.044,   0.071,   0.042)  ( -0.043,   0.072,   0.042)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -2.535,   1.878,  -3.603)  ( -2.535,   1.878,  -3.603)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 26       (-476.173, -552.554, 341.770)  (-476.081, -552.499, 341.837)  ( 0.02,  0.01,  0.02)
163:     bond    (-473.399, -551.537, 337.686)  (-473.318, -551.490, 337.743)  ( 0.02,  0.01,  0.02)
163:     angle   ( -0.509,   0.094,   0.027)  ( -0.499,   0.101,   0.035)  ( 0.52,  0.06,  0.02)
163:     torsion ( -0.034,  -0.048,  -0.041)  ( -0.034,  -0.046,  -0.041)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -2.230,  -1.064,   4.099)  ( -2.230,  -1.064,   4.099)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 27       (552.444, 341.770, 475.989)  (552.499, 341.837, 476.081)  ( 0.01,  0.02,  0.02)
163:     bond    (551.443, 337.686, 473.237)  (551.490, 337.743, 473.318)  ( 0.01,  0.02,  0.02)
163:     angle   ( -0.107,   0.027,   0.489)  ( -0.101,   0.035,   0.499)  ( 0.07,  0.02,  0.50)
163:     torsion (  0.045,  -0.041,   0.033)  (  0.046,  -0.041,   0.034)  ( 0.01,  0.00,  0.00)
163:     vdw     (  1.064,   4.099,   2.230)  (  1.064,   4.099,   2.230)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 28       (-682.022, -423.091,  -0.090)  (-681.921, -423.070,   0.000)  ( 0.01,  0.01,  0.82)
163:     bond    (-677.189, -423.243,  -0.078)  (-677.098, -423.228,   0.000)  ( 0.01,  0.00,  0.61)
163:     angle   ( -0.091,  -0.295,  -0.011)  ( -0.082,  -0.291,   0.000)  ( 0.09,  0.12,  0.01)
163:     torsion (  0.015,  -0.052,  -0.001)  (  0.015,  -0.050,   0.000)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -4.757,   0.499,  -0.000)  ( -4.757,   0.499,  -0.000)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 29       (211.175, -129.938, -763.780)  (211.256, -129.900, -763.686)  ( 0.04,  0.03,  0.01)
163:     bond    (208.396, -131.774, -760.656)  (208.466, -131.744, -760.571)  ( 0.03,  0.02,  0.01)
163:     angle   (  0.202,  -0.114,   0.436)  (  0.212,  -0.107,   0.445)  ( 0.20,  0.07,  0.37)
163:     torsion (  0.042,   0.071,   0.042)  (  0.043,   0.072,   0.042)  ( 0.00,  0.01,  0.00)
163:     vdw     (  2.535,   1.878,  -3.603)  (  2.535,   1.878,  -3.603)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 30       (681.819, 423.048,  -0.090)  (681.921, 423.070,   0.000)  ( 0.01,  0.01,  0.82)
163:     bond    (677.006, 423.212,  -0.078)  (677.098, 423.228,   0.000)  ( 0.01,  0.00,  0.61)
163:     angle   (  0.072,   0.287,  -0.011)  (  0.082,   0.291,   0.000)  ( 0.07,  0.11,  0.01)
163:     torsion ( -0.016,   0.048,  -0.001)  ( -0.015,   0.050,   0.000)  ( 0.00,  0.01,  0.00)
163:     vdw     (  4.757,  -0.499,  -0.000)  (  4.757,  -0.499,   0.000)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 31       (423.048,  -0.090, -682.022)  (423.070,  -0.000, -681.921)  ( 0.01,  0.82,  0.01)
163:     bond    (423.212,  -0.078, -677.189)  (423.228,   0.000, -677.098)  ( 0.00,  0.61,  0.01)
163:     angle   (  0.287,  -0.011,  -0.091)  (  0.291,   0.000,  -0.082)  ( 0.11,  0.01,  0.09)
163:     torsion (  0.048,  -0.001,   0.015)  (  0.050,   0.000,   0.015)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -0.499,  -0.000,  -4.757)  ( -0.499,  -0.000,  -4.757)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 32       (-129.938, 763.591, 211.175)  (-129.900, 763.686, 211.256)  ( 0.03,  0.01,  0.04)
163:     bond    (-131.774, 760.485, 208.396)  (-131.744, 760.571, 208.466)  ( 0.02,  0.01,  0.03)
163:     angle   ( -0.114,  -0.453,   0.202)  ( -0.107,  -0.445,   0.212)  ( 0.07,  0.38,  0.20)
163:     torsion (  0.071,  -0.043,   0.042)  (  0.072,  -0.042,   0.043)  ( 0.01,  0.00,  0.00)
163:     vdw     (  1.878,   3.603,   2.535)  (  1.878,   3.603,   2.535)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 33       (-211.337, -129.938, 763.591)  (-211.256, -129.900, 763.686)  ( 0.04,  0.03,  0.01)
163:     bond    (-208.536, -131.774, 760.485)  (-208.466, -131.744, 760.571)  ( 0.03,  0.02,  0.01)
163:     angle   ( -0.222,  -0.114,  -0.453)  ( -0.212,  -0.107,  -0.445)  ( 0.22,  0.07,  0.38)
163:     torsion ( -0.044,   0.071,  -0.043)  ( -0.043,   0.072,  -0.042)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -2.535,   1.878,   3.603)  ( -2.535,   1.878,   3.603)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 34       (681.819, -423.091,  -0.090)  (681.921, -423.070,   0.000)  ( 0.01,  0.01,  0.82)
163:     bond    (677.006, -423.243,  -0.078)  (677.098, -423.228,   0.000)  ( 0.01,  0.00,  0.61)
163:     angle   (  0.072,  -0.295,  -0.011)  (  0.082,  -0.291,   0.000)  ( 0.07,  0.12,  0.01)
163:     torsion ( -0.016,  -0.052,  -0.001)  ( -0.015,  -0.050,  -0.000)  ( 0.00,  0.01,  0.00)
163:     vdw     (  4.757,   0.499,  -0.000)  (  4.757,   0.499,   0.000)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 35       (-552.554, 341.770, -476.173)  (-552.499, 341.837, -476.081)  ( 0.01,  0.02,  0.02)
163:     bond    (-551.537, 337.686, -473.399)  (-551.490, 337.743, -473.318)  ( 0.01,  0.02,  0.02)
163:     angle   (  0.094,   0.027,  -0.509)  (  0.101,   0.035,  -0.499)  ( 0.06,  0.02,  0.52)
163:     torsion ( -0.048,  -0.041,  -0.034)  ( -0.046,  -0.041,  -0.034)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -1.064,   4.099,  -2.230)  ( -1.064,   4.099,  -2.230)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 36       (-552.554, 341.770, 475.989)  (-552.499, 341.837, 476.081)  ( 0.01,  0.02,  0.02)
163:     bond    (-551.537, 337.686, 473.237)  (-551.490, 337.743, 473.318)  ( 0.01,  0.02,  0.02)
163:     angle   (  0.094,   0.027,   0.489)  (  0.101,   0.035,   0.499)  ( 0.06,  0.02,  0.50)
163:     torsion ( -0.048,  -0.041,   0.033)  ( -0.046,  -0.041,   0.034)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -1.064,   4.099,   2.230)  ( -1.064,   4.099,   2.230)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 37       (-423.091,  -0.090, 681.819)  (-423.070,   0.000, 681.921)  ( 0.01,  0.82,  0.01)
163:     bond    (-423.243,  -0.078, 677.006)  (-423.228,   0.000, 677.098)  ( 0.00,  0.61,  0.01)
163:     angle   ( -0.295,  -0.011,   0.072)  ( -0.291,   0.000,   0.082)  ( 0.12,  0.01,  0.07)
163:     torsion ( -0.052,  -0.001,  -0.016)  ( -0.050,   0.000,  -0.015)  ( 0.01,  0.00,  0.00)
163:     vdw     (  0.499,  -0.000,   4.757)  (  0.499,   0.000,   4.757)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 38       (-552.554, -341.903, -476.173)  (-552.499, -341.837, -476.081)  ( 0.01,  0.02,  0.02)
163:     bond    (-551.537, -337.801, -473.399)  (-551.490, -337.743, -473.318)  ( 0.01,  0.02,  0.02)
163:     angle   (  0.094,  -0.043,  -0.509)  (  0.101,  -0.035,  -0.499)  ( 0.06,  0.03,  0.52)
163:     torsion ( -0.048,   0.040,  -0.034)  ( -0.046,   0.041,  -0.034)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -1.064,  -4.099,  -2.230)  ( -1.064,  -4.099,  -2.230)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 39       (-552.554, -341.903, 475.989)  (-552.499, -341.837, 476.081)  ( 0.01,  0.02,  0.02)
163:     bond    (-551.537, -337.801, 473.237)  (-551.490, -337.743, 473.318)  ( 0.01,  0.02,  0.02)
163:     angle   (  0.094,  -0.043,   0.489)  (  0.101,  -0.035,   0.499)  ( 0.06,  0.03,  0.50)
163:     torsion ( -0.048,   0.040,   0.033)  ( -0.046,   0.041,   0.034)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -1.064,  -4.099,   2.230)  ( -1.064,  -4.099,   2.230)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 40       (211.175, -129.938, 763.591)  (211.256, -129.900, 763.686)  ( 0.04,  0.03,  0.01)
163:     bond    (208.396, -131.774, 760.485)  (208.466, -131.744, 760.571)  ( 0.03,  0.02,  0.01)
163:     angle   (  0.202,  -0.114,  -0.453)  (  0.212,  -0.107,  -0.445)  ( 0.20,  0.07,  0.38)
163:     torsion (  0.042,   0.071,  -0.043)  (  0.043,   0.072,  -0.042)  ( 0.00,  0.01,  0.00)
163:     vdw     (  2.535,   1.878,   3.603)  (  2.535,   1.878,   3.603)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 41       (-476.173, -552.554, -341.903)  (-476.081, -552.499, -341.837)  ( 0.02,  0.01,  0.02)
163:     bond    (-473.399, -551.537, -337.801)  (-473.318, -551.490, -337.743)  ( 0.02,  0.01,  0.02)
163:     angle   ( -0.509,   0.094,  -0.043)  ( -0.499,   0.101,  -0.035)  ( 0.52,  0.06,  0.03)
163:     torsion ( -0.034,  -0.048,   0.040)  ( -0.034,  -0.046,   0.041)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -2.230,  -1.064,  -4.099)  ( -2.230,  -1.064,  -4.099)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 42       (-763.780, 211.175, 129.863)  (-763.686, 211.256, 129.900)  ( 0.01,  0.04,  0.03)
163:     bond    (-760.656, 208.396, 131.714)  (-760.571, 208.466, 131.744)  ( 0.01,  0.03,  0.02)
163:     angle   (  0.436,   0.202,   0.101)  (  0.445,   0.212,   0.107)  ( 0.37,  0.20,  0.06)
163:     torsion (  0.042,   0.042,  -0.074)  (  0.042,   0.043,  -0.072)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -3.603,   2.535,  -1.879)  ( -3.603,   2.535,  -1.878)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 43       (475.989, -552.554, -341.903)  (476.081, -552.499, -341.837)  ( 0.02,  0.01,  0.02)
163:     bond    (473.237, -551.537, -337.801)  (473.318, -551.490, -337.743)  ( 0.02,  0.01,  0.02)
163:     angle   (  0.489,   0.094,  -0.043)  (  0.499,   0.101,  -0.035)  ( 0.50,  0.06,  0.03)
163:     torsion (  0.033,  -0.048,   0.040)  (  0.034,  -0.046,   0.041)  ( 0.00,  0.01,  0.00)
163:     vdw     (  2.230,  -1.064,  -4.099)  (  2.230,  -1.064,  -4.099)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 44       (129.863, 763.591, -211.337)  (129.900, 763.686, -211.256)  ( 0.03,  0.01,  0.04)
163:     bond    (131.714, 760.485, -208.536)  (131.744, 760.571, -208.466)  ( 0.02,  0.01,  0.03)
163:     angle   (  0.101,  -0.453,  -0.222)  (  0.107,  -0.445,  -0.212)  ( 0.06,  0.38,  0.22)
163:     torsion ( -0.074,  -0.043,  -0.044)  ( -0.072,  -0.042,  -0.043)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -1.879,   3.603,  -2.535)  ( -1.878,   3.603,  -2.535)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 45       (-129.938, 763.591, -211.337)  (-129.900, 763.686, -211.256)  ( 0.03,  0.01,  0.04)
163:     bond    (-131.774, 760.485, -208.536)  (-131.744, 760.571, -208.466)  ( 0.02,  0.01,  0.03)
163:     angle   ( -0.114,  -0.453,  -0.222)  ( -0.107,  -0.445,  -0.212)  ( 0.07,  0.38,  0.22)
163:     torsion (  0.071,  -0.043,  -0.044)  (  0.072,  -0.042,  -0.043)  ( 0.01,  0.00,  0.00)
163:     vdw     (  1.878,   3.603,  -2.535)  (  1.878,   3.603,  -2.535)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 46       (129.863, -763.780, -211.337)  (129.900, -763.686, -211.256)  ( 0.03,  0.01,  0.04)
163:     bond    (131.714, -760.656, -208.536)  (131.744, -760.571, -208.466)  ( 0.02,  0.01,  0.03)
163:     angle   (  0.101,   0.436,  -0.222)  (  0.107,   0.445,  -0.212)  ( 0.06,  0.37,  0.22)
163:     torsion ( -0.074,   0.042,  -0.044)  ( -0.072,   0.042,  -0.043)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -1.879,  -3.603,  -2.535)  ( -1.878,  -3.603,  -2.535)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 47       (-341.903, -476.173, 552.444)  (-341.837, -476.081, 552.499)  ( 0.02,  0.02,  0.01)
163:     bond    (-337.801, -473.399, 551.443)  (-337.743, -473.318, 551.490)  ( 0.02,  0.02,  0.01)
163:     angle   ( -0.043,  -0.509,  -0.107)  ( -0.035,  -0.499,  -0.101)  ( 0.03,  0.52,  0.07)
163:     torsion (  0.040,  -0.034,   0.045)  (  0.041,  -0.034,   0.046)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -4.099,  -2.230,   1.064)  ( -4.099,  -2.230,   1.064)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 48       (-423.091,  -0.090, -682.022)  (-423.070,   0.000, -681.921)  ( 0.01,  0.82,  0.01)
163:     bond    (-423.243,  -0.078, -677.189)  (-423.228,   0.000, -677.098)  ( 0.00,  0.61,  0.01)
163:     angle   ( -0.295,  -0.011,  -0.091)  ( -0.291,   0.000,  -0.082)  ( 0.12,  0.01,  0.09)
163:     torsion ( -0.052,  -0.001,   0.015)  ( -0.050,   0.000,   0.015)  ( 0.01,  0.00,  0.00)
163:     vdw     (  0.499,  -0.000,  -4.757)  (  0.499,   0.000,  -4.757)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 49       (211.175, 129.863, 763.591)  (211.256, 129.900, 763.686)  ( 0.04,  0.03,  0.01)
163:     bond    (208.396, 131.714, 760.485)  (208.466, 131.744, 760.571)  ( 0.03,  0.02,  0.01)
163:     angle   (  0.202,   0.101,  -0.453)  (  0.212,   0.107,  -0.445)  ( 0.20,  0.06,  0.38)
163:     torsion (  0.042,  -0.074,  -0.043)  (  0.043,  -0.072,  -0.042)  ( 0.00,  0.01,  0.00)
163:     vdw     (  2.535,  -1.879,   3.603)  (  2.535,  -1.878,   3.603)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 50       (-476.173, 552.444, -341.903)  (-476.081, 552.499, -341.837)  ( 0.02,  0.01,  0.02)
163:     bond    (-473.399, 551.443, -337.801)  (-473.318, 551.490, -337.743)  ( 0.02,  0.01,  0.02)
163:     angle   ( -0.509,  -0.107,  -0.043)  ( -0.499,  -0.101,  -0.035)  ( 0.52,  0.07,  0.03)
163:     torsion ( -0.034,   0.045,   0.040)  ( -0.034,   0.046,   0.041)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -2.230,   1.064,  -4.099)  ( -2.230,   1.064,  -4.099)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 51       (-129.938, -763.780, -211.337)  (-129.900, -763.686, -211.256)  ( 0.03,  0.01,  0.04)
163:     bond    (-131.774, -760.656, -208.536)  (-131.744, -760.571, -208.466)  ( 0.02,  0.01,  0.03)
163:     angle   ( -0.114,   0.436,  -0.222)  ( -0.107,   0.445,  -0.212)  ( 0.07,  0.37,  0.22)
163:     torsion (  0.071,   0.042,  -0.044)  (  0.072,   0.042,  -0.043)  ( 0.01,  0.00,  0.00)
163:     vdw     (  1.878,  -3.603,  -2.535)  (  1.878,  -3.603,  -2.535)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 52       (341.770, -476.173, 552.444)  (341.837, -476.081, 552.499)  ( 0.02,  0.02,  0.01)
163:     bond    (337.686, -473.399, 551.443)  (337.743, -473.318, 551.490)  ( 0.02,  0.02,  0.01)
163:     angle   (  0.027,  -0.509,  -0.107)  (  0.035,  -0.499,  -0.101)  ( 0.02,  0.52,  0.07)
163:     torsion ( -0.041,  -0.034,   0.045)  ( -0.041,  -0.034,   0.046)  ( 0.00,  0.00,  0.01)
163:     vdw     (  4.099,  -2.230,   1.064)  (  4.099,  -2.230,   1.064)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 53       (763.591, 211.175, 129.863)  (763.686, 211.256, 129.900)  ( 0.01,  0.04,  0.03)
163:     bond    (760.485, 208.396, 131.714)  (760.571, 208.466, 131.744)  ( 0.01,  0.03,  0.02)
163:     angle   ( -0.453,   0.202,   0.101)  ( -0.445,   0.212,   0.107)  ( 0.38,  0.20,  0.06)
163:     torsion ( -0.043,   0.042,  -0.074)  ( -0.042,   0.043,  -0.072)  ( 0.00,  0.00,  0.01)
163:     vdw     (  3.603,   2.535,  -1.879)  (  3.603,   2.535,  -1.878)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 54       ( -0.090, 681.819, 423.048)  (  0.000, 681.921, 423.070)  ( 0.82,  0.01,  0.01)
163:     bond    ( -0.078, 677.006, 423.212)  (  0.000, 677.098, 423.228)  ( 0.61,  0.01,  0.00)
163:     angle   ( -0.011,   0.072,   0.287)  (  0.000,   0.082,   0.291)  ( 0.01,  0.07,  0.11)
163:     torsion ( -0.001,  -0.016,   0.048)  (  0.000,  -0.015,   0.050)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.000,   4.757,  -0.499)  ( -0.000,   4.757,  -0.499)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 55       (341.770, 475.989, 552.444)  (341.837, 476.081, 552.499)  ( 0.02,  0.02,  0.01)
163:     bond    (337.686, 473.237, 551.443)  (337.743, 473.318, 551.490)  ( 0.02,  0.02,  0.01)
163:     angle   (  0.027,   0.489,  -0.107)  (  0.035,   0.499,  -0.101)  ( 0.02,  0.50,  0.07)
163:     torsion ( -0.041,   0.033,   0.045)  ( -0.041,   0.034,   0.046)  ( 0.00,  0.00,  0.01)
163:     vdw     (  4.099,   2.230,   1.064)  (  4.099,   2.230,   1.064)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 56       (-341.903, 475.989, 552.444)  (-341.837, 476.081, 552.499)  ( 0.02,  0.02,  0.01)
163:     bond    (-337.801, 473.237, 551.443)  (-337.743, 473.318, 551.490)  ( 0.02,  0.02,  0.01)
163:     angle   ( -0.043,   0.489,  -0.107)  ( -0.035,   0.499,  -0.101)  ( 0.03,  0.50,  0.07)
163:     torsion (  0.040,   0.033,   0.045)  (  0.041,   0.034,   0.046)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -4.099,   2.230,   1.064)  ( -4.099,   2.230,   1.064)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 57       (475.989, 552.444, -341.903)  (476.081, 552.499, -341.837)  ( 0.02,  0.01,  0.02)
163:     bond    (473.237, 551.443, -337.801)  (473.318, 551.490, -337.743)  ( 0.02,  0.01,  0.02)
163:     angle   (  0.489,  -0.107,  -0.043)  (  0.499,  -0.101,  -0.035)  ( 0.50,  0.07,  0.03)
163:     torsion (  0.033,   0.045,   0.040)  (  0.034,   0.046,   0.041)  ( 0.00,  0.01,  0.00)
163:     vdw     (  2.230,   1.064,  -4.099)  (  2.230,   1.064,  -4.099)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 58       (-763.780, -211.337, 129.863)  (-763.686, -211.256, 129.900)  ( 0.01,  0.04,  0.03)
163:     bond    (-760.656, -208.536, 131.714)  (-760.571, -208.466, 131.744)  ( 0.01,  0.03,  0.02)
163:     angle   (  0.436,  -0.222,   0.101)  (  0.445,  -0.212,   0.107)  ( 0.37,  0.22,  0.06)
163:     torsion (  0.042,  -0.044,  -0.074)  (  0.042,  -0.043,  -0.072)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -3.603,  -2.535,  -1.879)  ( -3.603,  -2.535,  -1.878)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 59       (763.591, -211.337, 129.863)  (763.686, -211.256, 129.900)  ( 0.01,  0.04,  0.03)
163:     bond    (760.485, -208.536, 131.714)  (760.571, -208.466, 131.744)  ( 0.01,  0.03,  0.02)
163:     angle   ( -0.453,  -0.222,   0.101)  ( -0.445,  -0.212,   0.107)  ( 0.38,  0.22,  0.06)
163:     torsion ( -0.043,  -0.044,  -0.074)  ( -0.042,  -0.043,  -0.072)  ( 0.00,  0.00,  0.01)
163:     vdw     (  3.603,  -2.535,  -1.879)  (  3.603,  -2.535,  -1.878)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 60       ( -0.090, -682.022, 423.048)  (  0.000, -681.921, 423.070)  ( 0.82,  0.01,  0.01)
163:     bond    ( -0.078, -677.189, 423.212)  (  0.000, -677.098, 423.228)  ( 0.61,  0.01,  0.00)
163:     angle   ( -0.011,  -0.091,   0.287)  (  0.000,  -0.082,   0.291)  ( 0.01,  0.09,  0.11)
163:     torsion ( -0.001,   0.015,   0.048)  (  0.000,   0.015,   0.050)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.000,  -4.757,  -0.499)  (  0.000,  -4.757,  -0.499)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 18 # gradients 
163: ok 19 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (-26.365,  -6.735,  -0.035)  (-26.271,  -6.630,  -0.032)  ( 0.36,  1.56,  0.01)
163:     bond    (-51.407, -21.524,  -0.453)  (-51.328, -21.431,  -0.453)  ( 0.15,  0.43,  0.00)
163:     angle   ( 28.516,  23.010,   2.629)  ( 28.532,  23.022,   2.628)  ( 0.05,  0.05,  0.02)
163:     torsion (  0.028,   0.027,  -2.311)  (  0.028,   0.027,  -2.306)  ( 0.00,  0.00,  0.18)
163:     vdw     ( -3.503,  -8.248,   0.099)  ( -3.503,  -8.248,   0.099)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       ( 42.577,  18.173,   0.053)  ( 42.671,  18.274,   0.057)  ( 0.22,  0.56,  0.02)
163:     bond    ( 79.259, -24.256,  -0.982)  ( 79.338, -24.166,  -0.981)  ( 0.10,  0.37,  0.03)
163:     angle   (-31.061,  47.195,   3.394)  (-31.046,  47.207,   3.394)  ( 0.05,  0.02,  0.01)
163:     torsion ( -0.034,   0.018,  -1.739)  ( -0.034,   0.018,  -1.736)  ( 0.00,  0.00,  0.20)
163:     vdw     ( -5.588,  -4.785,  -0.620)  ( -5.587,  -4.784,  -0.620)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       (1481.239, -10.907, -17.547)  (1481.306, -10.812, -17.538)  ( 0.00,  0.88,  0.05)
163:     bond    (1482.386,  49.293, -17.062)  (1482.436,  49.379, -17.056)  ( 0.00,  0.17,  0.03)
163:     angle   ( -3.766, -60.057,  -0.119)  ( -3.750, -60.047,  -0.117)  ( 0.43,  0.02,  0.02)
163:     torsion (  0.015,  -0.012,  -0.359)  (  0.015,  -0.012,  -0.357)  ( 0.00,  0.00,  0.09)
163:     vdw     (  2.605,  -0.132,  -0.008)  (  2.605,  -0.132,  -0.008)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (218.197, 351.442,  -5.584)  (218.285, 351.514,  -5.579)  ( 0.04,  0.02,  0.09)
163:     bond    (156.798, 315.167,  -4.502)  (156.875, 315.223,  -4.500)  ( 0.05,  0.02,  0.06)
163:     angle   ( 55.844,  32.080,  -0.601)  ( 55.856,  32.094,  -0.601)  ( 0.02,  0.05,  0.00)
163:     torsion ( -0.002,  -0.005,   0.943)  ( -0.002,  -0.005,   0.946)  ( 0.00,  0.00,  0.24)
163:     vdw     (  5.556,   4.201,  -1.424)  (  5.556,   4.201,  -1.424)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-203.363, -391.514,  -1.242)  (-203.352, -391.496,  -1.239)  ( 0.01,  0.00,  0.19)
163:     bond    (-224.009, -386.559,   5.182)  (-224.002, -386.542,   5.184)  ( 0.00,  0.00,  0.04)
163:     angle   ( -4.111,   2.380,   0.062)  ( -4.107,   2.381,   0.062)  ( 0.08,  0.05,  0.00)
163:     torsion (  0.004,   0.005,   0.542)  (  0.004,   0.005,   0.542)  ( 0.00,  0.00,  0.03)
163:     vdw     ( 24.753,  -7.340,  -7.027)  ( 24.754,  -7.340,  -7.027)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (-745.376, 1325.888, -16.743)  (-745.286, 1325.961, -16.734)  ( 0.01,  0.01,  0.06)
163:     bond    (-680.841, 1288.888, -17.462)  (-680.761, 1288.945, -17.456)  ( 0.01,  0.00,  0.03)
163:     angle   (-62.286,  33.325,   2.422)  (-62.276,  33.341,   2.424)  ( 0.02,  0.05,  0.06)
163:     torsion ( -0.001,  -0.005,  -1.701)  ( -0.001,  -0.005,  -1.699)  ( 0.00,  0.00,  0.14)
163:     vdw     ( -2.248,   3.679,  -0.003)  ( -2.248,   3.679,  -0.003)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       (-379.576,  -9.468,  -4.080)  (-379.510,  -9.372,  -4.075)  ( 0.02,  1.02,  0.12)
163:     bond    (-388.385,  67.010,  -2.879)  (-388.333,  67.095,  -2.877)  ( 0.01,  0.13,  0.08)
163:     angle   (  9.372, -71.185,  -1.456)  (  9.385, -71.173,  -1.456)  ( 0.14,  0.02,  0.03)
163:     torsion ( -0.012,  -0.012,   1.120)  ( -0.012,  -0.012,   1.123)  ( 0.00,  0.00,  0.27)
163:     vdw     ( -0.551,  -5.281,  -0.866)  ( -0.550,  -5.281,  -0.866)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (437.367, -12.590,   0.525)  (437.388, -12.583,   0.527)  ( 0.00,  0.06,  0.12)
163:     bond    (440.100,  -5.846,   2.920)  (440.121,  -5.844,   2.922)  ( 0.00,  0.03,  0.06)
163:     angle   (  0.050,   3.730,  -0.126)  (  0.050,   3.734,  -0.126)  ( 0.00,  0.12,  0.00)
163:     torsion ( -0.001,   0.001,   0.156)  ( -0.001,   0.001,   0.157)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -2.782, -10.475,  -2.426)  ( -2.782, -10.474,  -2.426)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  9       (-1298.501, -414.353, -25.601)  (-1298.426, -414.267, -25.591)  ( 0.01,  0.02,  0.04)
163:     bond    (-1389.179, -512.381, -26.576)  (-1389.117, -512.307, -26.570)  ( 0.00,  0.01,  0.02)
163:     angle   ( 90.035,  97.583,   1.312)  ( 90.048,  97.595,   1.314)  ( 0.02,  0.01,  0.15)
163:     torsion ( -0.002,   0.019,  -0.340)  ( -0.002,   0.019,  -0.338)  ( 0.00,  0.00,  0.08)
163:     vdw     (  0.645,   0.427,   0.003)  (  0.645,   0.427,   0.003)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 10       (-172.645,  75.624,   0.228)  (-172.591,  75.695,   0.232)  ( 0.03,  0.09,  0.08)
163:     bond    (-98.169,   9.837,   0.225)  (-98.126,   9.903,   0.225)  ( 0.04,  0.68,  0.01)
163:     angle   (-68.504,  69.057,  -0.619)  (-68.494,  69.061,  -0.617)  ( 0.02,  0.01,  0.11)
163:     torsion (  0.018,  -0.014,   1.257)  (  0.018,  -0.014,   1.258)  ( 0.00,  0.00,  0.09)
163:     vdw     ( -5.989,  -3.255,  -0.635)  ( -5.989,  -3.255,  -0.635)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       ( -1.370, -112.984,  -1.408)  ( -1.281, -112.907,  -1.405)  ( 6.45,  0.07,  0.18)
163:     bond    ( 10.704,  61.334,   0.663)  ( 10.779,  61.399,   0.664)  ( 0.70,  0.10,  0.05)
163:     angle   (-16.150, -176.774,  -2.413)  (-16.137, -176.761,  -2.413)  ( 0.08,  0.01,  0.01)
163:     torsion ( -0.004,  -0.005,   0.241)  ( -0.004,  -0.005,   0.243)  ( 0.00,  0.00,  0.05)
163:     vdw     (  4.081,   2.460,   0.102)  (  4.081,   2.460,   0.102)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (1511.671, 514.801,  32.839)  (1511.714, 514.855,  32.892)  ( 0.00,  0.01,  0.16)
163:     bond    (1515.153, 517.997,  31.429)  (1515.184, 518.038,  31.470)  ( 0.00,  0.01,  0.13)
163:     angle   ( -2.913,  -1.712,   0.561)  ( -2.901,  -1.699,   0.572)  ( 0.43,  0.76,  0.58)
163:     torsion ( -0.009,  -0.018,   0.871)  ( -0.009,  -0.018,   0.871)  ( 0.00,  0.00,  0.03)
163:     vdw     ( -0.560,  -1.465,  -0.022)  ( -0.560,  -1.465,  -0.022)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 13       (-1597.410, -19.629,  16.286)  (-1597.368, -19.574,  16.339)  ( 0.00,  0.28,  0.32)
163:     bond    (-1606.438, -16.395,  16.722)  (-1606.408, -16.353,  16.764)  ( 0.00,  0.25,  0.25)
163:     angle   (  6.182,   1.035,  -0.764)  (  6.194,   1.048,  -0.753)  ( 0.20,  1.27,  0.80)
163:     torsion (  0.004,   0.001,   0.323)  (  0.004,   0.001,   0.323)  ( 0.00,  0.00,  0.01)
163:     vdw     (  2.842,  -4.270,   0.006)  (  2.843,  -4.270,   0.006)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 14       (767.883, -1400.424,  14.698)  (767.935, -1400.378,  14.751)  ( 0.01,  0.00,  0.36)
163:     bond    (773.726, -1413.341,  15.101)  (773.765, -1413.308,  15.143)  ( 0.01,  0.00,  0.28)
163:     angle   ( -2.491,   8.410,  -1.096)  ( -2.478,   8.422,  -1.085)  ( 0.52,  0.15,  0.96)
163:     torsion ( -0.003,   0.007,   0.696)  ( -0.003,   0.007,   0.696)  ( 0.00,  0.00,  0.02)
163:     vdw     ( -3.349,   4.500,  -0.003)  ( -3.348,   4.501,  -0.003)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 15       (  2.573,  35.827,   0.685)  (  2.579,  35.856,   0.685)  ( 0.23,  0.08,  0.03)
163:     bond    ( -0.167,  36.326,   0.800)  ( -0.167,  36.355,   0.800)  ( 0.00,  0.08,  0.01)
163:     angle   ( -1.606,   0.002,  -0.444)  ( -1.600,   0.002,  -0.444)  ( 0.35,  0.00,  0.01)
163:     torsion (  0.001,  -0.006,   0.275)  (  0.001,  -0.006,   0.276)  ( 0.00,  0.00,  0.01)
163:     vdw     (  4.345,  -0.496,   0.053)  (  4.345,  -0.496,   0.053)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 16       ( -5.358, -55.102,  -3.092)  ( -5.354, -55.074,  -3.088)  ( 0.06,  0.05,  0.13)
163:     bond    ( -0.905, -54.774,  -2.312)  ( -0.905, -54.746,  -2.313)  ( 0.02,  0.05,  0.01)
163:     angle   (  2.713,  -0.017,  -0.653)  (  2.717,  -0.017,  -0.649)  ( 0.12,  0.00,  0.27)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -7.166,  -0.310,  -0.127)  ( -7.166,  -0.310,  -0.127)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 17       (-23.805,  13.685,  42.227)  (-23.797,  13.691,  42.247)  ( 0.04,  0.04,  0.05)
163:     bond    (-23.472,  15.259,  41.413)  (-23.466,  15.262,  41.432)  ( 0.03,  0.02,  0.05)
163:     angle   (  0.354,  -0.124,   0.245)  (  0.356,  -0.120,   0.246)  ( 0.09,  0.04,  0.03)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.687,  -1.450,   0.570)  ( -0.687,  -1.450,   0.570)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 18       (-26.013,  17.980, -45.828)  (-26.004,  17.987, -45.809)  ( 0.03,  0.04,  0.04)
163:     bond    (-25.679,  20.707, -44.275)  (-25.673,  20.711, -44.257)  ( 0.02,  0.02,  0.04)
163:     angle   (  0.650,  -0.562,  -0.642)  (  0.653,  -0.559,  -0.640)  ( 0.17,  0.19,  0.09)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.984,  -2.165,  -0.912)  ( -0.984,  -2.165,  -0.912)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 19       ( 18.649,  13.540, -51.805)  ( 18.654,  13.545, -51.781)  ( 0.03,  0.04,  0.05)
163:     bond    ( 17.904,  14.252, -51.223)  ( 17.907,  14.254, -51.200)  ( 0.01,  0.01,  0.05)
163:     angle   ( -0.297,   0.111,  -0.072)  ( -0.295,   0.115,  -0.071)  ( 0.09,  0.04,  0.00)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  1.042,  -0.823,  -0.511)  (  1.042,  -0.823,  -0.511)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       ( 26.856, -48.497,  14.020)  ( 26.862, -48.474,  14.025)  ( 0.02,  0.05,  0.04)
163:     bond    ( 19.705, -50.862,  13.120)  ( 19.708, -50.840,  13.122)  ( 0.02,  0.04,  0.01)
163:     angle   ( -4.217,  -1.717,  -0.326)  ( -4.214,  -1.717,  -0.322)  ( 0.07,  0.04,  0.13)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 11.368,   4.083,   1.226)  ( 11.368,   4.083,   1.226)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 21       ( 26.291,  34.034,  41.064)  ( 26.297,  34.049,  41.078)  ( 0.02,  0.04,  0.04)
163:     bond    ( 19.193,  38.169,  38.169)  ( 19.196,  38.181,  38.181)  ( 0.01,  0.03,  0.03)
163:     angle   ( -1.707,   1.023,  -0.171)  ( -1.704,   1.026,  -0.169)  ( 0.17,  0.22,  0.04)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  8.805,  -5.158,   3.066)  (  8.806,  -5.158,   3.066)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 22       (-45.738,   8.622,  38.333)  (-45.719,   8.625,  38.345)  ( 0.04,  0.04,  0.03)
163:     bond    (-45.865,  -2.697,  34.786)  (-45.848,  -2.697,  34.796)  ( 0.04,  0.01,  0.03)
163:     angle   ( -0.123,  -3.161,  -0.408)  ( -0.122,  -3.158,  -0.406)  ( 0.02,  0.11,  0.11)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.251,  14.480,   3.955)  (  0.251,  14.480,   3.955)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 23       (  7.676,  59.393,  23.469)  (  7.690,  59.410,  23.476)  ( 0.17,  0.03,  0.03)
163:     bond    ( 35.496,  42.507,  18.313)  ( 35.506,  42.521,  18.315)  ( 0.03,  0.03,  0.01)
163:     angle   (  5.136,  -3.971,  -0.748)  (  5.138,  -3.970,  -0.744)  ( 0.04,  0.04,  0.28)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (-32.955,  20.858,   5.905)  (-32.954,  20.858,   5.905)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 24       (-16.429,  12.100, -51.807)  (-16.423,  12.105, -51.782)  ( 0.04,  0.04,  0.05)
163:     bond    (-16.682,  10.967, -51.378)  (-16.680,  10.968, -51.354)  ( 0.01,  0.01,  0.05)
163:     angle   (  0.190,   0.171,  -0.026)  (  0.194,   0.174,  -0.026)  ( 0.07,  0.06,  0.00)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.063,   0.962,  -0.403)  (  0.063,   0.962,  -0.403)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 20 # gradients 
163: ok 21 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (-43.157, -57.858, -15.760)  (-43.113, -57.813, -15.714)  ( 0.10,  0.08,  0.29)
163:     bond    (-35.273, -59.048,  -4.681)  (-35.239, -59.012,  -4.645)  ( 0.10,  0.06,  0.77)
163:     angle   (  2.958,  -4.652,  -6.413)  (  2.968,  -4.643,  -6.403)  ( 0.35,  0.21,  0.15)
163:     torsion (-10.119,   7.010,  -5.676)  (-10.119,   7.010,  -5.676)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.723,  -1.168,   1.011)  ( -0.723,  -1.168,   1.011)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       (-100.883,  87.937,  23.820)  (-100.833,  87.984,  23.865)  ( 0.05,  0.05,  0.19)
163:     bond    (-17.248,  54.348,  -8.568)  (-17.211,  54.384,  -8.534)  ( 0.21,  0.07,  0.40)
163:     angle   (-68.485,  29.034,  43.678)  (-68.473,  29.044,  43.688)  ( 0.02,  0.04,  0.02)
163:     torsion (-12.304,   3.441,  -6.010)  (-12.304,   3.441,  -6.009)  ( 0.00,  0.01,  0.01)
163:     vdw     ( -2.845,   1.115,  -5.280)  ( -2.845,   1.115,  -5.280)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       ( 83.272,  35.908, -40.149)  ( 83.320,  35.955, -40.100)  ( 0.06,  0.13,  0.12)
163:     bond    ( 87.746, -16.745,  66.765)  ( 87.783, -16.709,  66.800)  ( 0.04,  0.21,  0.05)
163:     angle   ( -1.809,  46.196, -96.218)  ( -1.799,  46.206, -96.206)  ( 0.56,  0.02,  0.01)
163:     torsion (  0.427,   6.068,  -7.908)  (  0.427,   6.068,  -7.908)  ( 0.01,  0.01,  0.01)
163:     vdw     ( -3.092,   0.390,  -2.787)  ( -3.091,   0.390,  -2.787)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       ( 89.504, -10.397,  77.576)  ( 89.552, -10.348,  77.622)  ( 0.05,  0.47,  0.06)
163:     bond    (123.465,  45.957,   9.509)  (123.502,  45.993,   9.544)  ( 0.03,  0.08,  0.38)
163:     angle   (-29.372, -47.675,  85.067)  (-29.361, -47.662,  85.076)  ( 0.04,  0.03,  0.01)
163:     torsion ( -2.621,  -5.704, -17.085)  ( -2.620,  -5.703, -17.083)  ( 0.01,  0.01,  0.01)
163:     vdw     ( -1.968,  -2.976,   0.085)  ( -1.968,  -2.976,   0.085)  ( 0.01,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-16.876, 120.283, -38.120)  (-16.799, 120.339, -38.106)  ( 0.46,  0.05,  0.03)
163:     bond    (-49.888, 112.320, -15.047)  (-49.824, 112.364, -15.045)  ( 0.13,  0.04,  0.02)
163:     angle   ( 29.879,  10.202, -44.047)  ( 29.891,  10.213, -44.044)  ( 0.04,  0.11,  0.01)
163:     torsion (  2.169,   4.373,  21.249)  (  2.169,   4.374,  21.256)  ( 0.01,  0.01,  0.03)
163:     vdw     (  0.964,  -6.612,  -0.274)  (  0.964,  -6.612,  -0.274)  ( 0.02,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (-12.755,  -8.547,  19.128)  (-12.683,  -8.491,  19.140)  ( 0.56,  0.65,  0.07)
163:     bond    (-33.935,  21.618,  -4.334)  (-33.870,  21.663,  -4.332)  ( 0.19,  0.21,  0.04)
163:     angle   ( 18.512, -26.882,  13.525)  ( 18.518, -26.871,  13.527)  ( 0.03,  0.04,  0.01)
163:     torsion ( -1.569,  -1.258,   8.280)  ( -1.569,  -1.258,   8.289)  ( 0.00,  0.02,  0.11)
163:     vdw     (  3.877,  -1.998,   1.768)  (  3.877,  -1.997,   1.768)  ( 0.00,  0.01,  0.00)
163:     electro (  0.360,  -0.027,  -0.111)  (  0.360,  -0.027,  -0.111)  ( 0.00,  0.00,  0.00)
163:  7       ( 16.723, -19.158, -22.610)  ( 16.771, -19.109, -22.565)  ( 0.29,  0.25,  0.20)
163:     bond    (-40.310,  17.683,   2.533)  (-40.275,  17.720,   2.569)  ( 0.09,  0.21,  1.42)
163:     angle   ( 56.487, -28.902, -14.426)  ( 56.499, -28.891, -14.419)  ( 0.02,  0.04,  0.05)
163:     torsion (  0.746,  -4.538, -14.758)  (  0.747,  -4.538, -14.757)  ( 0.02,  0.00,  0.01)
163:     vdw     ( -0.200,  -3.401,   4.042)  ( -0.200,  -3.401,   4.043)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (-77.334,  40.329,  40.858)  (-77.286,  40.377,  40.905)  ( 0.06,  0.12,  0.12)
163:     bond    (-39.454,  13.633, -79.926)  (-39.418,  13.669, -79.890)  ( 0.09,  0.26,  0.05)
163:     angle   (-37.693,  29.316, 117.397)  (-37.682,  29.327, 117.407)  ( 0.03,  0.04,  0.01)
163:     torsion ( -2.457,  -0.129,   5.851)  ( -2.457,  -0.129,   5.852)  ( 0.02,  0.01,  0.02)
164:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  7       ( -2.162, -14.129, -24.316)  ( -2.161, -14.129, -24.314)  ( 0.04,  0.01,  0.01)
164:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
164:     angle   (  1.840,  -0.299,  -0.578)  (  1.840,  -0.299,  -0.578)  ( 0.02,  0.01,  0.01)
164:     strbnd  ( -1.909,   0.172,   0.297)  ( -1.909,   0.172,   0.297)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.133,   0.077)  (  0.000,  -0.133,   0.077)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  8       ( 27.568,  -1.841,  -1.569)  ( 27.570,  -1.840,  -1.569)  ( 0.01,  0.04,  0.04)
164:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
164:     angle   ( -0.000,  -1.856,  -0.010)  (  0.000,  -1.856,  -0.009)  ( 0.00,  0.03,  0.00)
164:     strbnd  (  0.304,   1.915,  -0.000)  (  0.304,   1.915,  -0.000)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,  -0.469)  (  0.000,   0.000,  -0.469)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  9       (-11.584,  11.851,  21.981)  (-11.583,  11.852,  21.983)  ( 0.01,  0.01,  0.01)
164:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
164:     angle   ( -0.885,  -1.619,   0.574)  ( -0.885,  -1.619,   0.574)  ( 0.03,  0.02,  0.01)
164:     strbnd  (  0.798,   1.743,  -0.296)  (  0.798,   1.743,  -0.296)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.382,   0.135,  -0.234)  ( -0.382,   0.135,  -0.234)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 10       (-10.930,   9.420, -22.678)  (-10.929,   9.421, -22.676)  ( 0.01,  0.01,  0.01)
164:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
164:     angle   ( -0.882,  -1.631,  -0.581)  ( -0.882,  -1.630,  -0.581)  ( 0.03,  0.02,  0.01)
164:     strbnd  (  0.799,   1.742,   0.299)  (  0.799,   1.742,   0.299)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.001,  -0.000,  -0.001)  (  0.001,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 11       ( 27.570,   2.262,   0.809)  ( 27.573,   2.263,   0.809)  ( 0.01,  0.03,  0.05)
164:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
164:     angle   (  0.001,   0.926,   1.618)  (  0.001,   0.926,   1.618)  ( 0.00,  0.04,  0.03)
164:     strbnd  (  0.305,  -0.958,  -1.660)  (  0.305,  -0.958,  -1.660)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,   0.407,  -0.235)  ( -0.000,   0.407,  -0.235)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 12       (-10.972,  14.917, -19.519)  (-10.971,  14.918, -19.517)  ( 0.01,  0.01,  0.01)
164:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
164:     angle   ( -0.889,   1.308,   1.118)  ( -0.889,   1.309,   1.119)  ( 0.03,  0.03,  0.02)
164:     strbnd  (  0.798,  -1.129,  -1.364)  (  0.798,  -1.129,  -1.364)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 13       (-11.601, -24.965,   0.763)  (-11.600, -24.963,   0.763)  ( 0.01,  0.01,  0.05)
164:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
164:     angle   ( -0.888,   0.315,   1.704)  ( -0.887,   0.315,   1.705)  ( 0.03,  0.00,  0.03)
164:     strbnd  (  0.799,  -0.614,  -1.659)  (  0.799,  -0.614,  -1.659)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.381,   0.135,  -0.233)  ( -0.381,   0.135,  -0.233)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: ok 10 # gradients 
164: ok 11 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
164:  1       (-94.849, 134.077, -232.261)  (-94.840, 134.085, -232.257)  ( 0.01,  0.01,  0.00)
164:     bond    (-98.615, 139.541, -241.698)  (-98.607, 139.548, -241.694)  ( 0.01,  0.01,  0.00)
164:     angle   (-17.077,  24.042, -41.606)  (-17.076,  24.043, -41.605)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( 20.845, -29.505,  51.044)  ( 20.845, -29.506,  51.044)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.002,  -0.001,  -0.002)  ( -0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  2       (267.229,   1.097,  -1.985)  (267.239,   1.101,  -1.981)  ( 0.00,  0.37,  0.20)
164:     bond    (324.092,   0.002,   0.003)  (324.102,   0.005,   0.006)  ( 0.00,  0.00,  0.00)
164:     angle   ( -7.067,  -9.049,  15.613)  ( -7.066,  -9.047,  15.614)  ( 0.02,  0.02,  0.01)
164:     strbnd  (-54.347,   8.796, -15.254)  (-54.349,   8.796, -15.255)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,   0.001,  -0.000)  (  0.000,   0.001,  -0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  3       (-92.994, -251.370,  -1.993)  (-92.989, -251.361,  -1.989)  ( 0.01,  0.00,  0.20)
164:     bond    (-108.221, -305.529,  -0.016)  (-108.218, -305.520,  -0.013)  ( 0.00,  0.00,  0.00)
164:     angle   ( 10.871,   3.619,  15.618)  ( 10.872,   3.621,  15.619)  ( 0.01,  0.04,  0.01)
164:     strbnd  (  9.840,  54.186, -15.254)  (  9.840,  54.184, -15.254)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.001,  -0.000,   0.003)  (  0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  4       (-92.879, 127.455, 216.653)  (-92.874, 127.461, 216.661)  ( 0.01,  0.00,  0.00)
164:     bond    (-107.982, 152.791, 264.561)  (-107.978, 152.795, 264.568)  ( 0.00,  0.00,  0.00)
164:     angle   ( 10.825, -15.317,   4.617)  ( 10.827, -15.315,   4.619)  ( 0.01,  0.01,  0.03)
164:     strbnd  (  9.798, -13.878, -54.515)  (  9.798, -13.878, -54.516)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  5       ( 14.020,  33.684,  -0.046)  ( 14.021,  33.686,  -0.046)  ( 0.01,  0.01,  0.00)
164:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
164:     angle   (  2.316,   0.820,  -0.007)  (  2.316,   0.820,  -0.006)  ( 0.02,  0.00,  0.00)
164:     strbnd  ( 13.869,   5.072,   0.000)  ( 13.869,   5.072,   0.000)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  6       (  7.090, -16.075,  27.884)  (  7.091, -16.074,  27.886)  ( 0.01,  0.01,  0.01)
164:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
164:     angle   (  2.371,  -0.399,   0.737)  (  2.371,  -0.398,   0.737)  ( 0.02,  0.01,  0.01)
164:     strbnd  ( 13.871,  -2.534,   4.389)  ( 13.871,  -2.534,   4.389)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  7       ( 14.159, -16.794, -29.238)  ( 14.160, -16.793, -29.236)  ( 0.01,  0.01,  0.01)
164:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
164:     angle   (  2.378,  -0.394,  -0.743)  (  2.378,  -0.394,  -0.742)  ( 0.02,  0.01,  0.01)
164:     strbnd  ( 13.873,  -2.530,  -4.384)  ( 13.873,  -2.530,  -4.384)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.001,   0.000)  (  0.000,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  8       ( 27.412, -19.113,  -1.101)  ( 27.414, -19.112,  -1.100)  ( 0.01,  0.00,  0.05)
164:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
164:     angle   ( -0.000,  -2.447,  -0.010)  (  0.000,  -2.447,  -0.009)  ( 0.00,  0.02,  0.00)
164:     strbnd  (  0.148, -14.767,  -0.000)  (  0.148, -14.767,  -0.000)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  9       (-19.291,  -2.738,  27.067)  (-19.291,  -2.737,  27.069)  ( 0.00,  0.04,  0.01)
164:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
164:     angle   ( -1.157,  -2.100,   0.740)  ( -1.157,  -2.099,   0.740)  ( 0.03,  0.02,  0.01)
164:     strbnd  ( -7.020, -12.229,   4.389)  ( -7.020, -12.229,   4.389)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 10       (-19.016,  -5.032, -27.526)  (-19.015,  -5.031, -27.524)  ( 0.00,  0.02,  0.01)
164:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
164:     angle   ( -1.152,  -2.108,  -0.747)  ( -1.152,  -2.107,  -0.746)  ( 0.03,  0.02,  0.01)
164:     strbnd  ( -7.016, -12.234,  -4.385)  ( -7.016, -12.234,  -4.385)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.001,  -0.000,  -0.000)  (  0.001,  -0.000,  -0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 11       ( 27.424,  10.493,  15.999)  ( 27.427,  10.494,  16.000)  ( 0.01,  0.01,  0.00)
164:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
164:     angle   (  0.001,   1.221,   2.128)  (  0.001,   1.221,   2.129)  ( 0.00,  0.03,  0.02)
164:     strbnd  (  0.159,   7.384,  12.785)  (  0.159,   7.384,  12.785)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 12       (-19.052,  26.348,  -9.424)  (-19.051,  26.349,  -9.422)  ( 0.00,  0.00,  0.02)
164:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
164:     angle   ( -1.160,   1.692,   1.451)  ( -1.160,   1.692,   1.451)  ( 0.03,  0.02,  0.01)
164:     strbnd  ( -7.010,   9.918,   8.398)  ( -7.010,   9.918,   8.398)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 13       (-19.294, -22.069,  15.940)  (-19.293, -22.066,  15.940)  ( 0.00,  0.01,  0.00)
164:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
164:     angle   ( -1.157,   0.410,   2.200)  ( -1.157,   0.410,   2.200)  ( 0.03,  0.00,  0.02)
164:     strbnd  ( -7.007,   2.322,  12.788)  ( -7.007,   2.322,  12.788)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.002,  -0.001,   0.001)  (  0.002,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: ok 12 # gradients 
164: ok 13 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
164:  1       (  0.188,  -0.341,  -0.447)  (  0.196,  -0.337,  -0.439)  ( 0.15,  0.15,  0.35)
164:     bond    ( 12.215,  -2.444,  -2.026)  ( 12.221,  -2.440,  -2.025)  ( 0.05,  0.20,  0.04)
164:     angle   (  1.031,   1.567,   0.419)  (  1.033,   1.568,   0.419)  ( 0.17,  0.09,  0.01)
164:     strbnd  ( -0.276,   0.595,   0.200)  ( -0.276,   0.595,   0.200)  ( 0.00,  0.01,  0.00)
164:     torsion (  0.026,  -0.060,   0.134)  (  0.026,  -0.060,   0.135)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.003,   0.011,  -0.034)  ( -0.003,   0.009,  -0.028)  ( 0.00,  0.00,  0.02)
164:     vdw     (-13.301,   0.238,   1.219)  (-13.301,   0.238,   1.219)  ( 0.00,  0.00,  0.00)
164:     electro (  0.497,  -0.246,  -0.360)  (  0.497,  -0.246,  -0.360)  ( 0.00,  0.00,  0.00)
164:  2       (  0.154,  -0.533,   0.257)  (  0.159,  -0.515,   0.227)  ( 0.07,  0.95,  0.78)
164:     bond    (  8.668,  -9.202,  -3.657)  (  8.674,  -9.197,  -3.657)  ( 0.06,  0.06,  0.02)
164:     angle   (  1.060,  -2.236,  -0.846)  (  1.061,  -2.234,  -0.846)  ( 0.15,  0.07,  0.02)
164:     strbnd  ( -2.306,  -0.145,   0.209)  ( -2.306,  -0.145,   0.209)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.009,  -0.028,   0.128)  ( -0.009,  -0.028,   0.129)  ( 0.00,  0.00,  0.02)
164:     oop     (  0.014,  -0.067,   0.198)  (  0.012,  -0.056,   0.166)  ( 0.00,  0.08,  0.65)
164:     vdw     ( -6.352,  11.522,   4.701)  ( -6.352,  11.522,   4.701)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.922,  -0.376,  -0.475)  ( -0.922,  -0.376,  -0.475)  ( 0.00,  0.00,  0.00)
164:  3       ( -0.038,  -0.435,   0.232)  ( -0.028,  -0.444,   0.280)  ( 0.04,  0.40,  1.12)
164:     bond    ( -6.462, -14.039,  -4.598)  ( -6.457, -14.034,  -4.597)  ( 0.08,  0.04,  0.02)
164:     angle   (  4.729,   7.796,   2.474)  (  4.731,   7.798,   2.474)  ( 0.04,  0.02,  0.01)
164:     strbnd  (  3.737,  -3.706,  -1.522)  (  3.737,  -3.707,  -1.522)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.300,  -2.114,   5.663)  (  0.300,  -2.114,   5.664)  ( 0.00,  0.01,  0.02)
164:     oop     ( -0.022,   0.095,  -0.277)  ( -0.019,   0.079,  -0.231)  ( 0.01,  0.15,  1.28)
164:     vdw     ( -2.173,  13.069,   0.311)  ( -2.172,  13.069,   0.311)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.148,  -1.535,  -1.819)  ( -0.148,  -1.535,  -1.819)  ( 0.00,  0.00,  0.00)
164:  4       (  0.395,   0.197,   0.303)  (  0.400,   0.409,   0.172)  ( 0.21,  4.17,  3.96)
164:     bond    ( -4.734,   2.347,   1.095)  ( -4.729,   2.352,   1.096)  ( 0.11,  0.20,  0.07)
164:     angle   (-10.062,  -2.611,   4.140)  (-10.060,  -2.609,   4.140)  ( 0.02,  0.07,  0.01)
164:     strbnd  (  3.811,   0.602,   0.274)  (  3.811,   0.601,   0.274)  ( 0.00,  0.01,  0.00)
164:     torsion ( -0.109,   2.386,  -1.969)  ( -0.109,   2.387,  -1.968)  ( 0.00,  0.01,  0.06)
164:     oop     (  0.013,  -1.116,   0.755)  (  0.011,  -0.910,   0.622)  ( 0.00, 18.44, 10.07)
164:     vdw     (  9.138,  -2.304,  -5.262)  (  9.139,  -2.304,  -5.262)  ( 0.00,  0.00,  0.00)
164:     electro (  2.337,   0.892,   1.269)  (  2.337,   0.892,   1.269)  ( 0.00,  0.00,  0.00)
164:  5       (  0.329,  -0.092,  -0.786)  (  0.325,  -0.035,  -0.926)  ( 0.14,  0.53, 10.94)
164:     bond    ( -9.877,  12.321,   6.024)  ( -9.872,  12.326,   6.025)  ( 0.05,  0.04,  0.01)
164:     angle   (  0.777,  -3.545,  -1.191)  (  0.779,  -3.544,  -1.191)  ( 0.13,  0.04,  0.02)
164:     strbnd  (  3.218,   2.140,   0.609)  (  3.218,   2.140,   0.609)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.010,   0.739,  -2.169)  (  0.010,   0.739,  -2.168)  ( 0.00,  0.01,  0.06)
164:     oop     (  0.069,  -0.304,   0.854)  (  0.058,  -0.253,   0.713)  ( 0.08,  1.53, 12.07)
164:     vdw     (  4.433, -11.904,  -4.594)  (  4.433, -11.904,  -4.594)  ( 0.00,  0.00,  0.00)
164:     electro (  1.700,   0.460,  -0.319)  (  1.700,   0.460,  -0.319)  ( 0.00,  0.00,  0.00)
164:  6       (  0.290,   0.013,  -0.920)  (  0.298,   0.013,  -0.902)  ( 0.24,  0.00,  1.63)
164:     bond    ( 10.935,  11.123,   2.675)  ( 10.940,  11.128,   2.676)  ( 0.05,  0.04,  0.03)
164:     angle   ( -1.841,   0.246,   0.285)  ( -1.839,   0.247,   0.285)  ( 0.09,  0.04,  0.01)
164:     strbnd  ( -0.658,   0.437,   0.063)  ( -0.658,   0.437,   0.063)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.004,   0.151,  -0.129)  ( -0.004,   0.151,  -0.128)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.010,   0.040,  -0.102)  ( -0.008,   0.034,  -0.087)  ( 0.00,  0.03,  0.16)
164:     vdw     ( -7.809, -11.860,  -3.494)  ( -7.809, -11.860,  -3.494)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.323,  -0.125,  -0.217)  ( -0.323,  -0.125,  -0.217)  ( 0.00,  0.00,  0.00)
164:  7       ( -0.284,  -0.843,  -2.698)  ( -0.304,  -1.685,  -2.039)  ( 0.58, 70.96, 24.42)
164:     bond    ( -8.014,   7.203,  10.301)  ( -8.008,   7.206,  10.304)  ( 0.07,  0.04,  0.04)
164:     angle   ( 23.571,  -6.002, -12.520)  ( 23.573,  -6.000, -12.519)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( -5.963,   1.001,   0.741)  ( -5.964,   1.001,   0.741)  ( 0.01,  0.02,  0.02)
164:     torsion ( -2.504, -12.743,   5.344)  ( -2.504, -12.742,   5.344)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.288,   5.178,  -4.155)  (  0.261,   4.331,  -3.501)  ( 0.80, 16.35, 15.74)
164:     vdw     ( -1.708,   5.497,  -2.750)  ( -1.708,   5.497,  -2.750)  ( 0.01,  0.00,  0.00)
164:     electro ( -5.954,  -0.978,   0.342)  ( -5.954,  -0.978,   0.342)  ( 0.00,  0.00,  0.00)
164:  8       ( -2.332,   4.648,   9.846)  ( -2.311,   5.541,   9.465)  ( 0.92, 19.20,  3.87)
164:     bond    (  7.906,   3.155,   6.283)  (  7.911,   3.158,   6.291)  ( 0.07,  0.08,  0.13)
164:     angle   (-11.927,  11.968,  23.696)  (-11.925,  11.969,  23.697)  ( 0.02,  0.01,  0.01)
164:     strbnd  ( -0.172,  -3.227,  -7.634)  ( -0.173,  -3.227,  -7.635)  ( 0.02,  0.01,  0.01)
164:     torsion ( -1.724,   6.797, -17.832)  ( -1.724,   6.797, -17.832)  ( 0.00,  0.01,  0.00)
164:     oop     ( -0.107,  -5.155,   2.589)  ( -0.093,  -4.267,   2.199)  ( 0.16, 17.23, 15.06)
164:     vdw     (  4.239,  -5.387,   2.000)  (  4.239,  -5.387,   2.000)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.546,  -3.502,   0.745)  ( -0.546,  -3.502,   0.745)  ( 0.00,  0.00,  0.00)
164:  9       (  2.586,  -3.839,  -7.626)  (  2.603,  -4.121,  -7.463)  ( 0.65,  7.34,  2.13)
164:     bond    (  6.677,  -9.432, -17.814)  (  6.678,  -9.430, -17.808)  ( 0.01,  0.02,  0.03)
164:     angle   ( -3.223,  -0.345,  -1.026)  ( -3.222,  -0.345,  -1.026)  ( 0.03,  0.00,  0.01)
164:     strbnd  ( -3.032,   4.056,   7.810)  ( -3.032,   4.056,   7.810)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.306,   6.009,  -3.297)  ( -0.306,   6.009,  -3.297)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.071,   1.455,  -0.797)  ( -0.056,   1.171,  -0.641)  ( 0.11, 19.52, 12.44)
164:     vdw     (  7.280,  -5.048,  11.866)  (  7.280,  -5.048,  11.866)  ( 0.00,  0.00,  0.00)
164:     electro ( -4.739,  -0.534,  -4.368)  ( -4.739,  -0.534,  -4.368)  ( 0.00,  0.00,  0.00)
164: 10       (  1.000,  -0.547,  -0.386)  (  0.966,  -0.774,  -0.726)  ( 3.43, 12.41, 13.13)
164:     bond    (  9.695,  23.920,  -3.884)  (  9.701,  23.924,  -3.884)  ( 0.06,  0.02,  0.01)
164:     angle   (-15.143, -13.685, -10.389)  (-15.141, -13.683, -10.388)  ( 0.01,  0.01,  0.01)
164:     strbnd  (  1.542, -11.914,   0.169)  (  1.542, -11.915,   0.169)  ( 0.03,  0.01,  0.00)
164:     torsion (  1.960,  -0.605,  10.880)  (  1.960,  -0.605,  10.881)  ( 0.00,  0.01,  0.01)
164:     oop     (  0.202,   1.528,   1.715)  (  0.161,   1.295,   1.373)  ( 0.83, 15.24, 19.96)
164:     vdw     (  3.415,   0.682,   1.760)  (  3.415,   0.682,   1.760)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.671,  -0.472,  -0.637)  ( -0.671,  -0.472,  -0.637)  ( 0.00,  0.00,  0.00)
164: 11       ( -0.171,  -0.241,  -0.542)  ( -0.163,  -0.080,   0.005)  ( 0.12,  3.88, 29.65)
164:     bond    (-13.094,  -5.115,  -0.788)  (-13.089,  -5.111,  -0.787)  ( 0.04,  0.09,  0.05)
164:     angle   ( -2.503,   4.242,  11.159)  ( -2.501,   4.244,  11.160)  ( 0.09,  0.05,  0.00)
164:     strbnd  ( 10.155,   7.918,  -0.812)  ( 10.154,   7.917,  -0.812)  ( 0.01,  0.01,  0.01)
164:     torsion (  1.046,  -1.903,  -2.449)  (  1.046,  -1.903,  -2.448)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.039,  -0.779,  -2.945)  ( -0.038,  -0.624,  -2.400)  ( 0.00, 12.08, 18.52)
164:     vdw     ( -0.018,  -4.278,  -1.767)  ( -0.018,  -4.278,  -1.767)  ( 0.00,  0.00,  0.00)
164:     electro (  4.282,  -0.325,  -2.941)  (  4.282,  -0.325,  -2.941)  ( 0.00,  0.00,  0.00)
164: 12       (  0.049,  -0.113,  -0.121)  (  0.055,  -0.145,  -0.246)  ( 0.03,  0.36,  1.51)
164:     bond    ( -6.964,  10.847,  -2.041)  ( -6.957,  10.853,  -2.041)  ( 0.09,  0.05,  0.02)
164:     angle   (  3.466, -18.735,   1.444)  (  3.468, -18.732,   1.444)  ( 0.06,  0.01,  0.03)
164:     strbnd  (  5.241,  10.045,  -1.635)  (  5.240,  10.043,  -1.635)  ( 0.02,  0.01,  0.00)
164:     torsion ( -0.277,  -0.199,   0.243)  ( -0.277,  -0.199,   0.244)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.002,   0.243,   0.879)  ( -0.003,   0.205,   0.753)  ( 0.00,  0.94, 11.08)
164:     vdw     ( -1.680,  -2.461,   0.754)  ( -1.680,  -2.461,   0.754)  ( 0.00,  0.00,  0.00)
164:     electro (  0.266,   0.147,   0.236)  (  0.266,   0.147,   0.236)  ( 0.00,  0.00,  0.00)
164: 13       ( -1.916,   4.711,  -0.986)  ( -1.911,   4.727,  -0.929)  ( 0.21,  0.35,  5.65)
164:     bond    ( -0.615,   7.046,  -1.142)  ( -0.607,   7.052,  -1.141)  ( 0.46,  0.08,  0.02)
164:     angle   (  9.671,  -9.830,   1.897)  (  9.673,  -9.828,   1.897)  ( 0.02,  0.02,  0.00)
164:     strbnd  (  1.450,  -2.787,   0.428)  (  1.450,  -2.788,   0.428)  ( 0.05,  0.05,  0.00)
164:     torsion ( -0.027,   0.521,  -1.869)  ( -0.027,   0.521,  -1.868)  ( 0.00,  0.00,  0.05)
164:     oop     (  0.024,  -0.050,  -0.214)  (  0.019,  -0.041,  -0.158)  ( 0.01,  0.05,  1.20)
164:     vdw     (-11.109,   9.890,   1.556)  (-11.109,   9.890,   1.556)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.309,  -0.078,  -1.642)  ( -1.309,  -0.078,  -1.642)  ( 0.00,  0.00,  0.00)
164: 14       (  6.713,  -5.411,   0.328)  (  6.722,  -5.394,   0.357)  ( 0.13,  0.31,  0.96)
164:     bond    (-12.462, -21.961,   0.624)  (-12.457, -21.955,   0.624)  ( 0.04,  0.02,  0.01)
164:     angle   ( 21.478,  16.756,  -1.059)  ( 21.481,  16.758,  -1.059)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -5.263,  -1.582,  -0.270)  ( -5.263,  -1.582,  -0.270)  ( 0.01,  0.03,  0.00)
164:     torsion ( -0.035,  -0.626,   1.222)  ( -0.035,  -0.626,   1.223)  ( 0.00,  0.00,  0.11)
164:     oop     (  0.004,  -0.049,  -0.081)  (  0.005,  -0.039,  -0.053)  ( 0.00,  0.05,  0.23)
164:     vdw     (  2.604,   2.443,   0.387)  (  2.604,   2.443,   0.387)  ( 0.00,  0.00,  0.00)
164:     electro (  0.386,  -0.392,  -0.495)  (  0.386,  -0.392,  -0.495)  ( 0.00,  0.00,  0.00)
164: 15       ( -5.129,   0.613,  -0.625)  ( -5.079,   0.616,  -0.328)  ( 0.97,  0.16, 18.57)
164:     bond    ( 11.061,   5.919,  -3.067)  ( 11.066,   5.923,  -3.067)  ( 0.04,  0.08,  0.01)
164:     angle   (-12.299, -15.141,  -0.481)  (-12.297, -15.140,  -0.481)  ( 0.02,  0.01,  0.00)
164:     strbnd  ( -3.290,   0.620,   0.718)  ( -3.290,   0.620,   0.718)  ( 0.00,  0.01,  0.00)
164:     torsion ( -0.712,  -0.073,   3.004)  ( -0.712,  -0.073,   3.005)  ( 0.00,  0.00,  0.05)
164:     oop     ( -0.261,   0.034,  -1.913)  ( -0.218,   0.030,  -1.617)  ( 1.11,  0.01, 15.44)
164:     vdw     (  0.370,   9.262,   0.830)  (  0.370,   9.262,   0.830)  ( 0.00,  0.00,  0.00)
164:     electro (  0.002,  -0.007,   0.283)  (  0.002,  -0.007,   0.283)  ( 0.00,  0.00,  0.00)
164: 16       ( -0.296,   0.185,   0.933)  ( -0.303,   0.195,   0.800)  ( 0.21,  0.19, 12.45)
164:     bond    ( 14.452, -16.403,  -3.890)  ( 14.458, -16.398,  -3.890)  ( 0.04,  0.03,  0.01)
164:     angle   (-10.953,   5.321,   1.176)  (-10.951,   5.322,   1.176)  ( 0.02,  0.03,  0.00)
164:     strbnd  (  6.693,   8.480,  -0.639)  (  6.693,   8.479,  -0.639)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.233,  -0.130,   1.677)  (  0.233,  -0.130,   1.679)  ( 0.00,  0.00,  0.08)
164:     oop     (  0.089,  -0.027,   0.816)  (  0.074,  -0.024,   0.681)  ( 0.13,  0.01, 11.01)
164:     vdw     (-10.495,   2.954,   2.887)  (-10.495,   2.954,   2.887)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.314,  -0.010,  -1.094)  ( -0.314,  -0.010,  -1.094)  ( 0.00,  0.00,  0.00)
164: 17       ( -0.587,   0.280,   1.052)  ( -0.579,   0.286,   1.057)  ( 0.46,  0.17,  0.47)
164:     bond    ( 11.943,  13.623,   0.244)  ( 11.949,  13.628,   0.244)  ( 0.05,  0.04,  0.01)
164:     angle   (  1.276,  -3.469,  -0.726)  (  1.277,  -3.467,  -0.726)  ( 0.13,  0.05,  0.00)
164:     strbnd  (  0.726,  -3.329,  -0.300)  (  0.726,  -3.330,  -0.300)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.227,  -0.156,   1.421)  (  0.227,  -0.156,   1.422)  ( 0.00,  0.00,  0.09)
164:     oop     ( -0.004,   0.002,  -0.021)  ( -0.003,   0.002,  -0.018)  ( 0.00,  0.00,  0.01)
164:     vdw     (-14.498,  -6.002,   0.935)  (-14.498,  -6.002,   0.935)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.257,  -0.389,  -0.500)  ( -0.257,  -0.389,  -0.500)  ( 0.00,  0.00,  0.00)
164: 18       ( -0.846,  -0.010,   0.550)  ( -0.842,   0.000,   0.524)  ( 0.36,  0.01,  1.42)
164:     bond    ( -3.720,  10.016,   1.464)  ( -3.714,  10.021,   1.464)  ( 0.15,  0.06,  0.01)
164:     angle   (  3.372,   1.996,  -0.096)  (  3.374,   1.998,  -0.096)  ( 0.05,  0.09,  0.00)
164:     strbnd  (  1.201,  -0.848,  -0.145)  (  1.201,  -0.848,  -0.145)  ( 0.02,  0.01,  0.00)
164:     torsion (  0.005,  -0.001,   0.213)  (  0.005,  -0.001,   0.214)  ( 0.00,  0.00,  0.03)
164:     oop     (  0.015,  -0.016,   0.164)  (  0.013,  -0.013,   0.137)  ( 0.00,  0.00,  0.45)
164:     vdw     ( -1.486, -11.784,  -0.891)  ( -1.486, -11.784,  -0.891)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.234,   0.627,  -0.159)  ( -0.234,   0.627,  -0.159)  ( 0.00,  0.00,  0.00)
164: 19       ( -0.802,  -0.231,  -0.241)  ( -0.792,  -0.227,  -0.209)  ( 0.79,  0.10,  0.77)
164:     bond    ( -3.439,  12.608,   1.190)  ( -3.434,  12.614,   1.190)  ( 0.17,  0.04,  0.02)
164:     angle   ( -7.033,   2.531,   1.010)  ( -7.031,   2.533,   1.010)  ( 0.02,  0.06,  0.01)
164:     strbnd  ( -0.939,  -6.205,  -0.494)  ( -0.939,  -6.206,  -0.494)  ( 0.02,  0.00,  0.00)
164:     torsion (  0.083,  -0.036,   0.405)  (  0.083,  -0.036,   0.406)  ( 0.00,  0.00,  0.05)
164:     oop     ( -0.015,   0.016,  -0.180)  ( -0.012,   0.013,  -0.149)  ( 0.00,  0.00,  0.55)
164:     vdw     ( 11.128,  -8.501,  -1.965)  ( 11.128,  -8.501,  -1.965)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.587,  -0.644,  -0.207)  ( -0.587,  -0.644,  -0.207)  ( 0.00,  0.00,  0.00)
164: 20       ( -0.443,  -0.226,  -0.393)  ( -0.448,  -0.219,  -0.464)  ( 0.20,  0.16,  2.79)
164:     bond    (-23.028,   1.536,   2.475)  (-23.023,   1.541,   2.475)  ( 0.02,  0.33,  0.01)
164:     angle   ( 15.846,  -1.882,  -2.254)  ( 15.848,  -1.881,  -2.254)  ( 0.01,  0.09,  0.00)
164:     strbnd  ( -4.096,   7.781,   0.817)  ( -4.097,   7.781,   0.817)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.129,   0.136,   0.405)  (  0.129,   0.136,   0.407)  ( 0.00,  0.00,  0.05)
164:     oop     (  0.078,  -0.007,   0.518)  (  0.066,  -0.007,   0.445)  ( 0.09,  0.00,  3.76)
164:     vdw     ( 11.264,  -7.207,  -2.094)  ( 11.264,  -7.207,  -2.094)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.635,  -0.582,  -0.260)  ( -0.635,  -0.582,  -0.260)  ( 0.00,  0.00,  0.00)
164: 21       (  0.070,   0.058,   0.371)  (  0.080,  -0.012,   0.135)  ( 0.07,  0.40,  8.76)
164:     bond    (  7.503, -21.569,  13.282)  (  7.507, -21.565,  13.286)  ( 0.05,  0.02,  0.03)
164:     angle   ( -8.074,  14.944, -23.421)  ( -8.072,  14.947, -23.419)  ( 0.03,  0.01,  0.01)
164:     strbnd  (  2.250,   2.780,   1.796)  (  2.249,   2.779,   1.795)  ( 0.04,  0.04,  0.03)
164:     torsion ( -0.293,   1.133,   8.011)  ( -0.293,   1.133,   8.011)  ( 0.00,  0.01,  0.00)
164:     oop     ( -0.019,   0.274,   0.893)  ( -0.014,   0.200,   0.651)  ( 0.01,  2.04, 21.55)
164:     vdw     ( -0.617,   2.348,  -0.996)  ( -0.617,   2.348,  -0.996)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.681,   0.147,   0.808)  ( -0.681,   0.147,   0.808)  ( 0.00,  0.00,  0.00)
164: 22       (  0.335,  -0.174,   0.517)  (  0.341,  -0.168,   0.522)  ( 0.18,  0.10,  0.29)
164:     bond    ( 10.845,  -2.778,  -8.094)  ( 10.850,  -2.774,  -8.090)  ( 0.04,  0.15,  0.05)
164:     angle   ( -9.008,  -1.801,   6.507)  ( -9.006,  -1.799,   6.508)  ( 0.02,  0.10,  0.03)
164:     strbnd  (  0.507,  -2.141,   2.316)  (  0.507,  -2.141,   2.315)  ( 0.04,  0.02,  0.03)
164:     torsion (  0.379,   2.149,  -1.075)  (  0.379,   2.149,  -1.075)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.389,   4.398,   0.864)  ( -2.389,   4.398,   0.864)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 23       ( -0.056,  -0.173,  -0.298)  ( -0.051,  -0.167,  -0.292)  ( 0.03,  0.09,  0.18)
164:     bond    ( -9.863,  -5.250,   2.250)  ( -9.858,  -5.246,   2.255)  ( 0.04,  0.08,  0.21)
164:     angle   ( 12.507,   0.572,   0.600)  ( 12.509,   0.573,   0.602)  ( 0.02,  0.10,  0.10)
164:     strbnd  (  0.608,  -3.802,   1.723)  (  0.607,  -3.803,   1.722)  ( 0.05,  0.02,  0.03)
164:     torsion ( -1.338,   1.223,  -0.733)  ( -1.338,   1.223,  -0.733)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.970,   7.085,  -4.139)  ( -1.970,   7.085,  -4.139)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 24       (  0.006,  -0.005,   0.058)  (  0.012,   0.000,   0.060)  ( 0.00,  0.00,  0.02)
164:     bond    ( -0.866, -18.509,   3.882)  ( -0.862, -18.505,   3.887)  ( 0.40,  0.02,  0.12)
164:     angle   (  5.959,  26.024,  -8.109)  (  5.962,  26.026,  -8.108)  ( 0.04,  0.01,  0.02)
164:     strbnd  (-10.525,  -2.634,   0.562)  (-10.527,  -2.635,   0.562)  ( 0.02,  0.03,  0.02)
164:     torsion ( -0.876,  -1.089,   1.253)  ( -0.876,  -1.089,   1.253)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.001,   0.002,   0.014)  ( -0.000,   0.002,   0.010)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.349,  -4.597,   0.926)  (  2.349,  -4.597,   0.926)  ( 0.01,  0.00,  0.00)
164:     electro (  3.966,   0.797,   1.529)  (  3.966,   0.797,   1.529)  ( 0.00,  0.00,  0.00)
164: 25       ( -0.014,  -0.101,  -0.165)  ( -0.009,  -0.095,  -0.159)  ( 0.01,  0.06,  0.10)
164:     bond    ( -3.870,  12.275,  -0.924)  ( -3.866,  12.279,  -0.920)  ( 0.10,  0.03,  0.41)
164:     angle   ( -5.572, -18.333,   5.423)  ( -5.570, -18.330,   5.425)  ( 0.04,  0.01,  0.03)
164:     strbnd  ( -1.114,  -2.631,  -0.165)  ( -1.115,  -2.631,  -0.166)  ( 0.10,  0.02,  0.00)
164:     torsion (  3.318,  -0.490,  -3.647)  (  3.318,  -0.490,  -3.647)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  7.225,   9.078,  -0.852)  (  7.225,   9.078,  -0.852)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 26       ( -0.228,   0.018,   0.143)  ( -0.223,   0.024,   0.149)  ( 0.11,  0.01,  0.08)
164:     bond    (  4.426, -15.861,  -0.954)  (  4.429, -15.857,  -0.949)  ( 0.08,  0.03,  0.45)
164:     angle   ( -8.266,  12.873,  -7.689)  ( -8.264,  12.875,  -7.687)  ( 0.02,  0.02,  0.03)
164:     strbnd  (  1.193,   5.294,   4.137)  (  1.192,   5.293,   4.136)  ( 0.07,  0.01,  0.03)
164:     torsion ( -0.164,  -0.701,   3.652)  ( -0.164,  -0.701,   3.652)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.542,  -1.377,   0.272)  ( -0.542,  -1.377,   0.272)  ( 0.01,  0.00,  0.00)
164:     electro (  3.125,  -0.209,   0.725)  (  3.125,  -0.209,   0.725)  ( 0.00,  0.00,  0.00)
164: 27       ( -0.131,   0.200,   0.315)  ( -0.126,   0.205,   0.322)  ( 0.06,  0.11,  0.19)
164:     bond    ( -1.243,  14.723,   1.076)  ( -1.239,  14.727,   1.080)  ( 0.30,  0.03,  0.41)
164:     angle   ( -2.830, -11.271,   1.923)  ( -2.828, -11.269,   1.924)  ( 0.07,  0.02,  0.10)
164:     strbnd  (  1.105,  -0.095,   0.631)  (  1.104,  -0.095,   0.630)  ( 0.10,  0.01,  0.02)
164:     torsion (  1.263,  -4.544,  -4.977)  (  1.263,  -4.544,  -4.977)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.574,   1.387,   1.663)  (  1.574,   1.387,   1.663)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 28       ( -0.164,   0.308,   0.056)  ( -0.159,   0.314,   0.060)  ( 0.08,  0.19,  0.03)
164:     bond    ( -2.953, -11.140,   2.764)  ( -2.949, -11.136,   2.768)  ( 0.12,  0.04,  0.15)
164:     angle   ( -6.707,  11.635,   3.591)  ( -6.705,  11.637,   3.594)  ( 0.03,  0.02,  0.06)
164:     strbnd  (  1.933,  -1.383,  -4.721)  (  1.932,  -1.383,  -4.722)  ( 0.05,  0.02,  0.03)
164:     torsion ( -0.767,   1.045,   0.680)  ( -0.767,   1.045,   0.680)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.685,  -1.579,   0.134)  ( -1.684,  -1.579,   0.134)  ( 0.01,  0.00,  0.00)
164:     electro ( 10.015,   1.730,  -2.393)  ( 10.015,   1.730,  -2.393)  ( 0.00,  0.00,  0.00)
164: 29       ( -0.089,   0.132,  -0.028)  ( -0.179,   0.268,   0.043)  ( 0.80,  1.80,  0.20)
164:     bond    ( -3.268,   7.249,   5.605)  ( -3.264,   7.254,   5.609)  ( 0.11,  0.06,  0.08)
164:     angle   (  1.228,  -5.262,  -5.708)  (  1.229,  -5.261,  -5.706)  ( 0.14,  0.03,  0.04)
164:     strbnd  ( -1.075,   1.910,   2.578)  ( -1.075,   1.910,   2.578)  ( 0.06,  0.02,  0.02)
164:     torsion ( -1.983,  -2.819,  -0.108)  ( -1.983,  -2.819,  -0.108)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.919,  -1.262,  -0.629)  (  0.825,  -1.132,  -0.564)  ( 8.72, 10.33,  4.10)
164:     vdw     (  3.898,  -0.356,  -3.193)  (  3.898,  -0.356,  -3.193)  ( 0.00,  0.00,  0.00)
164:     electro (  0.191,   0.672,   1.426)  (  0.191,   0.672,   1.426)  ( 0.00,  0.00,  0.00)
164: 30       ( -1.041,   1.402,   0.516)  ( -0.321,   0.483,   0.053)  (69.21, 65.53, 23.86)
164:     bond    ( -1.273,  -3.810,   6.037)  ( -1.269,  -3.807,   6.047)  ( 0.30,  0.07,  0.16)
164:     angle   (  1.224,   1.913,   5.350)  (  1.225,   1.914,   5.352)  ( 0.15,  0.07,  0.03)
164:     strbnd  ( -1.468,   0.550,  -3.069)  ( -1.469,   0.549,  -3.071)  ( 0.07,  0.04,  0.07)
164:     torsion ( -0.091,   0.173,   0.599)  ( -0.091,   0.173,   0.599)  ( 0.00,  0.00,  0.00)
164:     oop     ( -3.638,   4.815,   2.435)  ( -2.922,   3.893,   1.963)  (19.69, 19.15, 19.39)
164:     vdw     (  6.948,  -1.148,  -6.767)  (  6.948,  -1.148,  -6.767)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.744,  -1.090,  -4.069)  ( -2.744,  -1.090,  -4.069)  ( 0.00,  0.00,  0.00)
164: 31       (  0.881,  -1.368,  -1.069)  (  0.567,  -0.962,  -0.854)  (27.76, 29.71, 20.14)
164:     bond    (  0.058,   0.328,  -0.551)  (  0.058,   0.330,  -0.546)  ( 0.00,  0.06,  0.28)
164:     angle   ( -2.127,  -1.116,  -0.901)  ( -2.127,  -1.116,  -0.901)  ( 0.03,  0.02,  0.01)
164:     strbnd  ( -0.372,  -0.811,   1.064)  ( -0.372,  -0.811,   1.064)  ( 0.00,  0.01,  0.01)
164:     torsion (  0.357,  -0.491,  -0.258)  (  0.357,  -0.491,  -0.258)  ( 0.00,  0.00,  0.00)
164:     oop     (  1.362,  -1.784,  -0.930)  (  1.047,  -1.380,  -0.720)  (23.18, 22.66, 19.55)
164:     vdw     (  3.653,   3.015,  -1.101)  (  3.653,   3.015,  -1.101)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.050,  -0.510,   1.609)  ( -2.050,  -0.510,   1.609)  ( 0.00,  0.00,  0.00)
164: 32       ( -0.790,   1.265,   0.167)  ( -1.091,   1.654,   0.369)  (23.83, 30.79,  3.37)
164:     bond    ( -3.495,  -0.110,  -5.185)  ( -3.493,  -0.110,  -5.181)  ( 0.06,  0.00,  0.09)
164:     angle   (  0.338,   0.315,  -0.235)  (  0.339,   0.316,  -0.235)  ( 0.01,  0.02,  0.00)
164:     strbnd  (  0.426,  -0.497,   1.754)  (  0.426,  -0.497,   1.754)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.160,   0.219,   0.103)  ( -0.160,   0.219,   0.103)  ( 0.00,  0.00,  0.00)
164:     oop     (  1.355,  -1.770,  -0.876)  (  1.050,  -1.382,  -0.679)  (22.48, 21.97, 17.28)
164:     vdw     (  8.930,   2.395,  -1.527)  (  8.930,   2.395,  -1.527)  ( 0.00,  0.00,  0.00)
164:     electro ( -8.183,   0.713,   6.132)  ( -8.183,   0.713,   6.132)  ( 0.00,  0.00,  0.00)
164: 33       ( -0.924,   0.360,  -0.139)  ( -0.923,   0.367,  -0.135)  ( 0.06,  0.24,  0.05)
164:     bond    ( -0.019,  -1.678,  -1.610)  ( -0.019,  -1.671,  -1.608)  ( 0.00,  0.37,  0.18)
164:     angle   (  8.749,  -2.680,   5.549)  (  8.750,  -2.680,   5.550)  ( 0.01,  0.01,  0.02)
164:     strbnd  (  0.282,  -2.395,  -3.567)  (  0.282,  -2.395,  -3.567)  ( 0.00,  0.00,  0.01)
164:     torsion ( -0.756,   0.926,  -0.619)  ( -0.756,   0.926,  -0.619)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.059,   4.362,   2.702)  (  2.059,   4.362,   2.702)  ( 0.01,  0.00,  0.00)
164:     electro (-11.239,   1.825,  -2.594)  (-11.239,   1.825,  -2.594)  ( 0.00,  0.00,  0.00)
164: 34       (  0.039,   0.551,   0.057)  (  0.045,   0.552,   0.061)  ( 0.02,  0.04,  0.02)
164:     bond    ( 13.740,   3.045, -11.264)  ( 13.745,   3.046, -11.261)  ( 0.04,  0.01,  0.03)
164:     angle   (  3.434,  -0.862,  -3.531)  (  3.435,  -0.861,  -3.530)  ( 0.02,  0.04,  0.03)
164:     strbnd  ( -0.868,  -0.657,   2.046)  ( -0.868,  -0.658,   2.046)  ( 0.01,  0.00,  0.02)
164:     torsion ( -0.397,   0.278,   0.129)  ( -0.397,   0.278,   0.129)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.894,   2.781,   6.709)  ( -1.894,   2.781,   6.709)  ( 0.01,  0.00,  0.00)
164:     electro (-13.976,  -4.035,   5.969)  (-13.976,  -4.035,   5.969)  ( 0.00,  0.00,  0.00)
164: 35       (  0.215,  -0.454,  -0.523)  (  0.219,  -0.455,  -0.518)  ( 0.09,  0.03,  0.24)
164:     bond    (  2.204,  -0.030,  -0.236)  (  2.207,  -0.030,  -0.236)  ( 0.17,  0.00,  0.00)
164:     angle   ( -0.031,  -0.619,  -0.215)  ( -0.031,  -0.619,  -0.215)  ( 0.00,  0.04,  0.00)
164:     strbnd  ( -0.630,  -0.117,   0.028)  ( -0.630,  -0.117,   0.028)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.041,   0.142,  -0.401)  ( -0.041,   0.142,  -0.401)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.003,   0.009,  -0.025)  ( -0.002,   0.007,  -0.021)  ( 0.00,  0.00,  0.01)
164:     vdw     ( -0.755,   0.010,   0.078)  ( -0.755,   0.010,   0.078)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.529,   0.151,   0.248)  ( -0.529,   0.151,   0.248)  ( 0.00,  0.00,  0.00)
164: 36       (  0.007,  -0.633,   0.684)  (  0.009,  -0.633,   0.694)  ( 0.00,  0.02,  0.66)
164:     bond    (  1.008,  -1.858,  -0.711)  (  1.009,  -1.855,  -0.710)  ( 0.08,  0.14,  0.03)
164:     angle   ( -0.810,  -0.409,  -0.083)  ( -0.810,  -0.408,  -0.083)  ( 0.04,  0.01,  0.00)
164:     strbnd  ( -0.164,   0.654,   0.244)  ( -0.164,   0.654,   0.244)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.047,  -0.195,   0.576)  (  0.047,  -0.195,   0.577)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.004,   0.018,  -0.054)  ( -0.003,   0.015,  -0.045)  ( 0.00,  0.01,  0.05)
164:     vdw     ( -0.412,   0.629,   0.244)  ( -0.412,   0.629,   0.244)  ( 0.00,  0.00,  0.00)
164:     electro (  0.342,   0.528,   0.467)  (  0.342,   0.528,   0.467)  ( 0.00,  0.00,  0.00)
164: 37       (  0.096,  -0.359,   0.906)  (  0.097,  -0.351,   0.890)  ( 0.00,  0.30,  1.47)
164:     bond    ( -1.065,  -1.705,  -0.491)  ( -1.064,  -1.702,  -0.491)  ( 0.09,  0.15,  0.01)
164:     angle   (  2.772,  -1.525,  -0.719)  (  2.772,  -1.525,  -0.719)  ( 0.02,  0.01,  0.00)
164:     strbnd  (  0.823,   1.075,   0.277)  (  0.823,   1.075,   0.277)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.096,  -0.361,   1.046)  (  0.096,  -0.361,   1.046)  ( 0.00,  0.00,  0.03)
164:     oop     (  0.009,  -0.035,   0.104)  (  0.007,  -0.030,   0.087)  ( 0.00,  0.02,  0.17)
164:     vdw     ( -4.611,   3.272,  -0.769)  ( -4.611,   3.272,  -0.769)  ( 0.00,  0.00,  0.00)
164:     electro (  2.074,  -1.079,   1.460)  (  2.074,  -1.079,   1.460)  ( 0.00,  0.00,  0.00)
164: 38       (  0.416,   0.331,  -1.341)  (  0.421,   0.315,  -1.283)  ( 0.22,  0.54,  4.33)
164:     bond    ( -0.610,   1.154,   0.431)  ( -0.609,   1.156,   0.432)  ( 0.05,  0.23,  0.02)
164:     angle   (  2.171,   1.091,   0.140)  (  2.172,   1.091,   0.140)  ( 0.03,  0.01,  0.00)
164:     strbnd  (  0.292,  -0.874,  -0.249)  (  0.292,  -0.874,  -0.249)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.070,   0.364,  -1.074)  ( -0.070,   0.364,  -1.074)  ( 0.00,  0.00,  0.03)
164:     oop     ( -0.025,   0.116,  -0.346)  ( -0.021,   0.097,  -0.289)  ( 0.01,  0.22,  1.99)
164:     vdw     ( -0.968,  -2.087,  -0.646)  ( -0.967,  -2.087,  -0.646)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.374,   0.569,   0.403)  ( -0.374,   0.569,   0.403)  ( 0.00,  0.00,  0.00)
164: 39       (  0.380,   0.037,  -1.541)  (  0.383,   0.036,  -1.529)  ( 0.11,  0.00,  0.79)
164:     bond    (  1.161,   1.766,   0.453)  (  1.162,   1.769,   0.453)  ( 0.09,  0.14,  0.01)
164:     angle   (  0.496,  -0.284,  -0.165)  (  0.497,  -0.284,  -0.165)  ( 0.02,  0.00,  0.00)
164:     strbnd  ( -0.428,  -0.962,  -0.256)  ( -0.428,  -0.962,  -0.256)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.154,   0.452,  -1.372)  ( -0.154,   0.452,  -1.372)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.008,   0.023,  -0.071)  ( -0.007,   0.019,  -0.059)  ( 0.00,  0.01,  0.08)
164:     vdw     ( -0.423,  -0.628,  -0.165)  ( -0.423,  -0.628,  -0.165)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.264,  -0.330,   0.035)  ( -0.264,  -0.330,   0.035)  ( 0.00,  0.00,  0.00)
164: 40       ( -0.101,   0.325,   0.544)  ( -0.076,   0.526,   0.340)  ( 0.26,  6.53, 11.09)
164:     bond    (  1.250,  -2.067,  -1.848)  (  1.251,  -2.065,  -1.846)  ( 0.07,  0.11,  0.10)
164:     angle   ( -6.227,  -1.125,  -2.962)  ( -6.226,  -1.124,  -2.961)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -0.245,  -0.553,  -0.380)  ( -0.245,  -0.553,  -0.380)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.954,  -0.617,   2.015)  (  1.954,  -0.617,   2.015)  ( 0.00,  0.01,  0.00)
164:     oop     ( -0.207,  -1.458,   1.491)  ( -0.183,  -1.260,   1.285)  ( 0.50, 13.62, 13.81)
164:     vdw     ( -0.907,   0.415,  -2.870)  ( -0.907,   0.416,  -2.870)  ( 0.01,  0.00,  0.00)
164:     electro (  4.281,   5.730,   5.098)  (  4.281,   5.730,   5.098)  ( 0.00,  0.00,  0.00)
164: 41       (  0.150,  -0.326,  -1.122)  (  0.156,  -0.330,  -1.156)  ( 0.09,  0.11,  3.09)
164:     bond    (  1.745,  -1.007,   0.287)  (  1.748,  -1.006,   0.287)  ( 0.17,  0.10,  0.00)
164:     angle   (  0.464,   0.801,  -0.015)  (  0.464,   0.801,  -0.015)  ( 0.01,  0.05,  0.00)
164:     strbnd  (  0.646,   0.353,  -0.007)  (  0.646,   0.352,  -0.007)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.413,  -0.701,  -4.980)  (  0.413,  -0.701,  -4.980)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.012,   0.022,   0.147)  ( -0.009,   0.017,   0.112)  ( 0.00,  0.01,  0.51)
164:     vdw     ( -2.888,  -0.070,   2.547)  ( -2.888,  -0.069,   2.547)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.219,   0.276,   0.899)  ( -0.219,   0.276,   0.899)  ( 0.00,  0.00,  0.00)
164: 42       ( -0.022,   0.418,   1.179)  ( -0.018,   0.419,   1.187)  ( 0.01,  0.04,  0.61)
164:     bond    ( -1.375,   0.917,   0.310)  ( -1.372,   0.918,   0.310)  ( 0.19,  0.11,  0.00)
164:     angle   (  3.321,   4.944,   0.058)  (  3.321,   4.944,   0.059)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -1.480,   0.664,   0.304)  ( -1.480,   0.664,   0.304)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.662,   0.518,  -4.465)  ( -0.662,   0.518,  -4.465)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.006,   0.005,  -0.042)  ( -0.005,   0.004,  -0.035)  ( 0.00,  0.00,  0.03)
164:     vdw     ( -0.590,  -7.239,   3.112)  ( -0.590,  -7.239,   3.112)  ( 0.00,  0.00,  0.00)
164:     electro (  0.772,   0.610,   1.902)  (  0.772,   0.610,   1.902)  ( 0.00,  0.00,  0.00)
164: 43       ( -0.711,   0.449,   1.668)  ( -0.708,   0.450,   1.671)  ( 0.25,  0.04,  0.19)
164:     bond    (  1.870,   0.804,  -0.109)  (  1.873,   0.804,  -0.109)  ( 0.17,  0.05,  0.00)
164:     angle   ( -0.221,   0.524,   0.072)  ( -0.221,   0.524,   0.072)  ( 0.00,  0.03,  0.00)
164:     strbnd  ( -1.440,  -0.145,   0.136)  ( -1.440,  -0.145,   0.136)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.118,  -0.120,   1.139)  (  0.118,  -0.120,   1.139)  ( 0.00,  0.00,  0.03)
164:     oop     ( -0.002,   0.002,  -0.018)  ( -0.002,   0.002,  -0.015)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.750,  -0.350,   0.003)  ( -0.750,  -0.350,   0.003)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.286,  -0.265,   0.445)  ( -0.286,  -0.265,   0.445)  ( 0.00,  0.00,  0.00)
164: 44       ( -1.146,   0.069,   0.778)  ( -1.144,   0.072,   0.786)  ( 0.13,  0.02,  0.61)
164:     bond    (  0.202,   1.622,   0.146)  (  0.202,   1.625,   0.146)  ( 0.00,  0.23,  0.00)
164:     angle   ( -1.147,   0.132,   0.122)  ( -1.147,   0.132,   0.122)  ( 0.06,  0.00,  0.00)
164:     strbnd  ( -0.299,  -0.281,   0.005)  ( -0.299,  -0.281,   0.005)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.051,  -0.056,   0.548)  (  0.051,  -0.056,   0.549)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.004,   0.004,  -0.044)  ( -0.004,   0.004,  -0.036)  ( 0.00,  0.00,  0.03)
164:     vdw     ( -0.104,  -0.746,  -0.073)  ( -0.104,  -0.746,  -0.073)  ( 0.00,  0.00,  0.00)
164:     electro (  0.156,  -0.607,   0.072)  (  0.156,  -0.607,   0.072)  ( 0.00,  0.00,  0.00)
164: 45       ( -0.998,  -0.419,  -0.572)  ( -0.996,  -0.416,  -0.587)  ( 0.13,  0.13,  0.80)
164:     bond    ( -2.026,   1.473,   0.312)  ( -2.024,   1.474,   0.312)  ( 0.12,  0.09,  0.00)
164:     angle   ( -0.884,  -1.211,  -0.011)  ( -0.883,  -1.211,  -0.011)  ( 0.02,  0.04,  0.00)
164:     strbnd  (  0.669,   0.039,  -0.071)  (  0.669,   0.039,  -0.071)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.083,   0.075,  -0.891)  ( -0.083,   0.075,  -0.891)  ( 0.00,  0.00,  0.03)
164:     oop     (  0.008,  -0.007,   0.085)  (  0.007,  -0.006,   0.071)  ( 0.00,  0.00,  0.12)
164:     vdw     (  0.563,  -0.681,  -0.091)  (  0.563,  -0.681,  -0.091)  ( 0.00,  0.00,  0.00)
164:     electro (  0.755,  -0.106,   0.094)  (  0.755,  -0.106,   0.094)  ( 0.00,  0.00,  0.00)
164: 46       ( -0.462,  -0.436,  -1.022)  ( -0.460,  -0.433,  -1.035)  ( 0.08,  0.10,  1.34)
164:     bond    ( -1.548,  -0.548,   0.144)  ( -1.545,  -0.547,   0.145)  ( 0.21,  0.02,  0.00)
164:     angle   ( -2.690,   7.839,   0.924)  ( -2.690,   7.840,   0.924)  ( 0.00,  0.01,  0.00)
164:     strbnd  (  2.263,   1.431,  -0.188)  (  2.263,   1.431,  -0.188)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.041,   0.010,  -0.399)  ( -0.041,   0.010,  -0.398)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.011,  -0.007,   0.092)  (  0.009,  -0.006,   0.078)  ( 0.00,  0.00,  0.13)
164:     vdw     (  2.373, -10.506,  -1.864)  (  2.373, -10.506,  -1.864)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.829,   1.345,   0.268)  ( -0.829,   1.345,   0.268)  ( 0.00,  0.00,  0.00)
164: 47       ( -0.364,   0.001,   0.224)  ( -0.363,   0.002,   0.227)  ( 0.04,  0.00,  0.06)
164:     bond    (  2.065,   0.651,   4.277)  (  2.066,   0.651,   4.280)  ( 0.03,  0.01,  0.06)
164:     angle   ( -1.189,   0.877,   0.440)  ( -1.189,   0.878,   0.440)  ( 0.04,  0.06,  0.01)
164:     strbnd  ( -1.004,  -2.559,  -2.464)  ( -1.004,  -2.559,  -2.464)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.081,   1.012,  -0.193)  (  0.081,   1.012,  -0.193)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.317,   0.020,  -1.836)  ( -0.317,   0.020,  -1.835)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 48       (  0.158,   0.208,   0.381)  (  0.161,   0.209,   0.382)  ( 0.05,  0.03,  0.02)
164:     bond    ( -1.345,  -0.662,  -0.174)  ( -1.342,  -0.661,  -0.174)  ( 0.21,  0.04,  0.00)
164:     angle   (  2.482,  -5.347,   1.171)  (  2.482,  -5.347,   1.171)  ( 0.00,  0.01,  0.04)
164:     strbnd  ( -0.569,  -0.838,  -0.623)  ( -0.569,  -0.838,  -0.623)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.479,  -1.375,   1.531)  (  0.479,  -1.375,   1.531)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.889,   8.429,  -1.524)  ( -0.889,   8.429,  -1.524)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 49       (  0.370,  -0.684,   0.437)  (  0.371,  -0.684,   0.441)  ( 0.03,  0.03,  0.14)
164:     bond    ( -0.186,   0.025,  -0.685)  ( -0.186,   0.025,  -0.682)  ( 0.00,  0.00,  0.22)
164:     angle   (  1.336,  -2.129,  -0.442)  (  1.336,  -2.128,  -0.442)  ( 0.04,  0.02,  0.00)
164:     strbnd  (  0.611,  -0.262,  -0.310)  (  0.611,  -0.262,  -0.310)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.104,  -0.201,   0.021)  ( -0.104,  -0.201,   0.021)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.287,   1.882,   1.854)  ( -1.287,   1.882,   1.854)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 50       (  0.588,   0.088,   1.012)  (  0.589,   0.092,   1.013)  ( 0.04,  0.03,  0.07)
164:     bond    (  0.403,  -2.471,   0.627)  (  0.403,  -2.468,   0.627)  ( 0.00,  0.12,  0.01)
164:     angle   (  5.516,   0.699,  -0.794)  (  5.517,   0.699,  -0.793)  ( 0.01,  0.00,  0.04)
164:     strbnd  (  0.314,   1.208,  -0.817)  (  0.314,   1.208,  -0.817)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.531,  -0.207,  -0.474)  ( -0.531,  -0.207,  -0.474)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.114,   0.860,   2.470)  ( -5.114,   0.860,   2.470)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 51       ( -0.316,  -0.193,  -0.505)  ( -0.315,  -0.192,  -0.503)  ( 0.06,  0.02,  0.10)
164:     bond    (  0.716,  -0.298,  -0.826)  (  0.717,  -0.297,  -0.824)  ( 0.10,  0.01,  0.15)
164:     angle   (  1.189,  -5.329,   2.958)  (  1.189,  -5.328,   2.959)  ( 0.03,  0.01,  0.01)
164:     strbnd  ( -0.047,  -0.589,  -0.422)  ( -0.047,  -0.589,  -0.422)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.936,  -0.735,   1.080)  (  0.936,  -0.735,   1.080)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.110,   6.758,  -3.296)  ( -3.110,   6.758,  -3.296)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 52       ( -0.101,  -0.092,  -0.176)  ( -0.100,  -0.090,  -0.175)  ( 0.01,  0.02,  0.01)
164:     bond    (  1.134,  -2.431,   0.852)  (  1.134,  -2.428,   0.852)  ( 0.05,  0.10,  0.03)
164:     angle   ( -3.696,  -1.139,   1.674)  ( -3.696,  -1.138,   1.675)  ( 0.01,  0.01,  0.03)
164:     strbnd  ( -1.209,   1.211,  -0.450)  ( -1.209,   1.211,  -0.450)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.018,   0.060,   0.194)  ( -0.018,   0.060,   0.194)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.689,   2.206,  -2.447)  (  3.689,   2.206,  -2.447)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 53       (  0.304,  -0.091,  -0.474)  (  0.305,  -0.090,  -0.471)  ( 0.04,  0.01,  0.12)
164:     bond    ( -0.341,  -0.134,  -0.569)  ( -0.341,  -0.134,  -0.567)  ( 0.03,  0.00,  0.14)
164:     angle   (  0.912,  -4.148,   0.434)  (  0.913,  -4.147,   0.434)  ( 0.03,  0.01,  0.01)
164:     strbnd  ( -0.362,  -0.327,   0.331)  ( -0.362,  -0.327,   0.331)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.427,  -0.471,  -0.145)  (  0.427,  -0.471,  -0.145)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.333,   4.990,  -0.524)  ( -0.333,   4.990,  -0.524)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 54       (  0.047,   0.327,   0.213)  (  0.048,   0.328,   0.216)  ( 0.00,  0.04,  0.06)
164:     bond    (  0.044,   0.448,  -1.022)  (  0.044,   0.449,  -1.019)  ( 0.00,  0.02,  0.28)
164:     angle   ( -5.073,   4.709,   1.855)  ( -5.072,   4.710,   1.855)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -0.688,  -1.108,  -0.508)  ( -0.688,  -1.108,  -0.508)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.301,   0.513,   0.239)  (  0.301,   0.513,   0.239)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.463,  -4.236,  -0.352)  (  5.463,  -4.236,  -0.352)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 55       ( -0.139,  -0.301,   0.325)  ( -0.139,  -0.299,   0.327)  ( 0.01,  0.06,  0.06)
164:     bond    (  0.004,  -0.058,  -0.057)  (  0.004,  -0.056,  -0.056)  ( 0.00,  0.01,  0.01)
164:     angle   ( -0.993,   1.847,  -1.929)  ( -0.992,   1.847,  -1.929)  ( 0.07,  0.01,  0.01)
164:     strbnd  ( -0.720,  -1.271,   0.377)  ( -0.720,  -1.271,   0.377)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.101,   0.125,  -0.120)  (  0.101,   0.125,  -0.120)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.469,  -0.945,   2.055)  (  1.469,  -0.944,   2.055)  ( 0.01,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 56       ( -0.037,  -0.300,  -0.241)  ( -0.036,  -0.299,  -0.238)  ( 0.00,  0.04,  0.06)
164:     bond    (  0.176,   1.777,  -3.219)  (  0.177,   1.777,  -3.216)  ( 0.00,  0.04,  0.08)
164:     angle   ( -1.373,  -1.962,  -1.160)  ( -1.373,  -1.962,  -1.159)  ( 0.05,  0.02,  0.01)
164:     strbnd  ( -0.304,   0.067,   1.171)  ( -0.304,   0.067,   1.171)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.378,   0.531,   0.218)  ( -1.378,   0.532,   0.218)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.841,  -0.714,   2.749)  (  2.842,  -0.714,   2.749)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 57       (  0.041,   0.148,  -0.296)  (  0.041,   0.150,  -0.294)  ( 0.00,  0.03,  0.06)
164:     bond    ( -0.135,   2.007,   2.146)  ( -0.135,   2.009,   2.147)  ( 0.00,  0.08,  0.08)
164:     angle   (  0.451,  -0.692,   0.675)  (  0.452,  -0.692,   0.675)  ( 0.03,  0.02,  0.02)
164:     strbnd  ( -0.177,  -0.030,  -0.939)  ( -0.177,  -0.030,  -0.939)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.075,  -0.300,   0.213)  ( -1.075,  -0.300,   0.213)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.976,  -0.838,  -2.392)  (  0.976,  -0.838,  -2.392)  ( 0.02,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 58       ( -0.254,   0.017,  -0.064)  ( -0.254,   0.019,  -0.062)  ( 0.02,  0.00,  0.02)
164:     bond    ( -0.040,  -1.500,   1.928)  ( -0.040,  -1.499,   1.930)  ( 0.00,  0.08,  0.11)
164:     angle   ( -1.136,   1.312,   0.995)  ( -1.135,   1.312,   0.995)  ( 0.05,  0.03,  0.02)
164:     strbnd  (  0.280,  -0.457,  -0.574)  (  0.280,  -0.457,  -0.574)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.158,   0.214,   0.170)  (  0.158,   0.214,   0.170)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.484,   0.449,  -2.583)  (  0.484,   0.449,  -2.583)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 59       ( -0.039,   0.371,   0.524)  ( -0.039,   0.373,   0.526)  ( 0.00,  0.07,  0.11)
164:     bond    (  0.250,   2.246,  -2.453)  (  0.250,   2.247,  -2.451)  ( 0.00,  0.07,  0.07)
164:     angle   ( -0.227,   0.092,   0.062)  ( -0.226,   0.092,   0.062)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( -0.193,  -0.135,   1.231)  ( -0.193,  -0.135,   1.231)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.564,   2.085,   1.969)  (  0.564,   2.085,   1.969)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.433,  -3.917,  -0.285)  ( -0.433,  -3.917,  -0.285)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 60       ( -0.063,  -0.072,   0.504)  ( -0.062,  -0.071,   0.506)  ( 0.01,  0.01,  0.13)
164:     bond    (  0.260,   1.745,   3.031)  (  0.260,   1.746,   3.033)  ( 0.00,  0.05,  0.08)
164:     angle   (  3.751,  -1.603,   0.601)  (  3.752,  -1.603,   0.601)  ( 0.02,  0.02,  0.01)
164:     strbnd  ( -0.199,  -0.015,  -1.540)  ( -0.199,  -0.015,  -1.540)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.382,   1.853,  -0.948)  ( -1.382,   1.853,  -0.948)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.493,  -2.052,  -0.640)  ( -2.493,  -2.052,  -0.640)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 61       ( -0.281,   0.189,  -0.034)  ( -0.280,   0.192,  -0.033)  ( 0.02,  0.06,  0.00)
164:     bond    (  0.133,  -2.004,   0.580)  (  0.133,  -2.001,   0.581)  ( 0.00,  0.15,  0.02)
164:     angle   (  0.076,  -0.444,  -1.547)  (  0.077,  -0.444,  -1.546)  ( 0.00,  0.00,  0.04)
164:     strbnd  ( -0.121,  -0.013,   0.295)  ( -0.121,  -0.013,   0.295)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.940,   0.033,  -0.103)  (  0.940,   0.033,  -0.103)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.309,   2.616,   0.740)  ( -1.309,   2.616,   0.740)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 62       ( -0.037,   0.359,   0.037)  ( -0.037,   0.362,   0.038)  ( 0.00,  0.10,  0.00)
164:     bond    ( -0.580,   1.889,  -0.905)  ( -0.580,   1.891,  -0.905)  ( 0.01,  0.13,  0.05)
164:     angle   ( -0.273,   0.763,   1.769)  ( -0.273,   0.763,   1.769)  ( 0.01,  0.01,  0.02)
165:     torsion ( -0.113,  -0.440,   0.129)  ( -0.113,  -0.440,   0.129)  ( 0.00,  0.01,  0.00)
165:     oop     ( -0.004,  -0.017,   0.005)  ( -0.003,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
165:     vdw     (  5.058,  -1.595,  -0.879)  (  5.058,  -1.595,  -0.879)  ( 0.00,  0.00,  0.00)
165:     electro (  0.961,  -0.585,  -2.896)  (  0.961,  -0.585,  -2.896)  ( 0.00,  0.00,  0.00)
165:  7       (  0.004,  -0.006,  -0.007)  (  0.009,   0.011,  -0.010)  ( 0.00,  0.01,  0.00)
165:     bond    ( -1.576,  -0.689,  -3.698)  ( -1.575,  -0.689,  -3.696)  ( 0.02,  0.00,  0.06)
165:     angle   ( -1.762,   0.781,   0.606)  ( -1.762,   0.781,   0.606)  ( 0.02,  0.00,  0.00)
165:     strbnd  (  3.973,   2.058,  10.392)  (  3.974,   2.058,  10.392)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.002,   0.010,  -0.003)  (  0.002,   0.010,  -0.003)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.021,  -0.079,   0.024)  ( -0.017,  -0.062,   0.019)  ( 0.01,  0.13,  0.01)
165:     vdw     ( -0.489,  -2.014,  -7.035)  ( -0.489,  -2.014,  -7.035)  ( 0.01,  0.00,  0.00)
165:     electro ( -0.123,  -0.073,  -0.293)  ( -0.123,  -0.073,  -0.293)  ( 0.00,  0.00,  0.00)
165:  8       ( -0.014,   0.006,   0.005)  ( -0.006,   0.023,   0.000)  ( 0.01,  0.01,  0.00)
165:     bond    ( -3.952,   0.990,  -0.369)  ( -3.949,   0.990,  -0.369)  ( 0.06,  0.01,  0.00)
165:     angle   (  0.055,  -0.510,  -1.957)  (  0.055,  -0.510,  -1.957)  ( 0.00,  0.00,  0.02)
165:     strbnd  ( 10.930,  -2.876,   0.597)  ( 10.930,  -2.875,   0.597)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.004,   0.013,  -0.005)  (  0.004,   0.013,  -0.005)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.022,  -0.078,   0.025)  ( -0.017,  -0.061,   0.019)  ( 0.01,  0.13,  0.01)
165:     vdw     ( -6.710,   2.400,   1.731)  ( -6.710,   2.400,   1.731)  ( 0.00,  0.00,  0.01)
165:     electro ( -0.319,   0.065,  -0.017)  ( -0.319,   0.065,  -0.017)  ( 0.00,  0.00,  0.00)
165:  9       (  0.001,  -0.005,  -0.013)  (  0.003,   0.000,  -0.012)  ( 0.00,  0.00,  0.00)
165:     bond    ( -4.048,   5.770,  13.996)  ( -4.048,   5.770,  13.999)  ( 0.00,  0.01,  0.02)
165:     angle   ( -1.241,   0.257,  -0.465)  ( -1.241,   0.257,  -0.465)  ( 0.03,  0.00,  0.00)
165:     strbnd  (  6.786,  -8.639, -20.325)  (  6.786,  -8.639, -20.325)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.124,  -0.435,   0.144)  ( -0.124,  -0.435,   0.144)  ( 0.00,  0.01,  0.00)
165:     oop     ( -0.005,  -0.018,   0.006)  ( -0.004,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
165:     vdw     (  0.799,   1.425,   5.120)  (  0.799,   1.425,   5.120)  ( 0.01,  0.00,  0.00)
165:     electro ( -2.167,   1.634,   1.511)  ( -2.167,   1.634,   1.511)  ( 0.00,  0.00,  0.00)
165: 10       ( -0.041,  -0.122,   0.031)  ( -0.038,  -0.116,   0.034)  ( 0.01,  0.07,  0.01)
165:     bond    ( -3.216, -14.697,   5.117)  ( -3.214, -14.692,   5.118)  ( 0.06,  0.04,  0.02)
165:     angle   ( -7.773,   6.823,  -8.945)  ( -7.771,   6.824,  -8.944)  ( 0.02,  0.01,  0.01)
165:     strbnd  (  6.282,   1.107,   3.899)  (  6.282,   1.107,   3.898)  ( 0.01,  0.00,  0.01)
165:     torsion (  0.055,  -0.068,   0.073)  (  0.055,  -0.068,   0.073)  ( 0.00,  0.00,  0.00)
165:     oop     (  0.002,  -0.001,  -0.002)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
165:     vdw     (  2.079,   0.861,   1.042)  (  2.079,   0.861,   1.042)  ( 0.00,  0.00,  0.00)
165:     electro (  2.530,   5.853,  -1.152)  (  2.530,   5.853,  -1.152)  ( 0.00,  0.00,  0.00)
165: 11       ( -0.148,   0.096,  -0.138)  ( -0.138,   0.102,  -0.133)  ( 0.15,  0.06,  0.07)
165:     bond    ( -2.324,  11.771,  -7.579)  ( -2.317,  11.777,  -7.575)  ( 0.31,  0.05,  0.07)
165:     angle   ( -3.241,  -6.144,   0.794)  ( -3.239,  -6.142,   0.795)  ( 0.06,  0.04,  0.10)
165:     strbnd  (  3.432,   4.890,  -0.026)  (  3.432,   4.889,  -0.026)  ( 0.02,  0.02,  0.00)
165:     torsion ( -0.002,   0.001,   0.002)  ( -0.002,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.006,   0.004,   0.007)  ( -0.005,   0.003,   0.007)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.330,  -2.187,   2.045)  (  1.330,  -2.187,   2.045)  ( 0.00,  0.01,  0.00)
165:     electro (  0.662,  -8.239,   4.619)  (  0.662,  -8.239,   4.619)  ( 0.00,  0.00,  0.00)
165: 12       (  0.104,  -0.045,   0.088)  (  0.109,  -0.043,   0.092)  ( 0.05,  0.01,  0.04)
165:     bond    (  2.062,  -0.697,   1.813)  (  2.066,  -0.696,   1.817)  ( 0.24,  0.04,  0.21)
165:     angle   (  4.094,   8.524,  -1.388)  (  4.094,   8.525,  -1.388)  ( 0.00,  0.01,  0.00)
165:     strbnd  ( -2.194,   1.376,  -2.250)  ( -2.194,   1.376,  -2.250)  ( 0.00,  0.01,  0.00)
165:     torsion (  0.001,  -0.001,  -0.001)  (  0.001,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
165:     oop     (  0.002,  -0.002,  -0.003)  (  0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -4.811,   4.186,  -5.523)  ( -4.811,   4.186,  -5.523)  ( 0.00,  0.01,  0.00)
165:     electro (  0.951, -13.432,   7.439)  (  0.951, -13.432,   7.439)  ( 0.00,  0.00,  0.00)
165: 13       (  0.019,  -0.062,   0.035)  (  0.022,  -0.057,   0.038)  ( 0.01,  0.03,  0.01)
165:     bond    ( -0.415,   6.996,  -3.819)  ( -0.413,   7.000,  -3.818)  ( 0.10,  0.06,  0.03)
165:     angle   (  8.099,   0.357,   5.569)  (  8.100,   0.358,   5.570)  ( 0.01,  0.02,  0.02)
165:     strbnd  ( -1.445,  -0.164,  -0.943)  ( -1.445,  -0.164,  -0.943)  ( 0.01,  0.00,  0.00)
165:     torsion (  0.096,   0.027,   0.051)  (  0.096,   0.027,   0.051)  ( 0.00,  0.00,  0.00)
165:     oop     (  0.002,  -0.001,  -0.003)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -1.982,  -2.198,  -0.300)  ( -1.982,  -2.198,  -0.300)  ( 0.00,  0.00,  0.00)
165:     electro ( -4.335,  -5.079,  -0.519)  ( -4.335,  -5.079,  -0.519)  ( 0.00,  0.00,  0.00)
165: 14       (  0.006,   0.040,  -0.035)  (  0.012,   0.045,  -0.029)  ( 0.00,  0.02,  0.02)
165:     bond    (  2.536,  -3.983,   3.794)  (  2.540,  -3.979,   3.799)  ( 0.17,  0.11,  0.12)
165:     angle   ( -4.065,   3.789,  -4.804)  ( -4.063,   3.791,  -4.803)  ( 0.05,  0.05,  0.04)
165:     strbnd  ( -0.833,   0.598,  -0.890)  ( -0.834,   0.596,  -0.891)  ( 0.05,  0.09,  0.05)
165:     torsion ( -0.191,  -0.892,   0.315)  ( -0.191,  -0.892,   0.315)  ( 0.00,  0.01,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  6.216,   6.029,   1.376)  (  6.216,   6.029,   1.376)  ( 0.00,  0.00,  0.00)
165:     electro ( -3.657,  -5.500,   0.174)  ( -3.657,  -5.500,   0.174)  ( 0.00,  0.00,  0.00)
165: 15       ( -0.047,  -0.022,   0.038)  ( -0.042,  -0.016,   0.044)  ( 0.03,  0.01,  0.02)
165:     bond    ( -2.867,  -2.743,  -0.596)  ( -2.863,  -2.738,  -0.591)  ( 0.15,  0.16,  0.26)
165:     angle   (  3.517,  -2.080,   3.550)  (  3.519,  -2.078,   3.552)  ( 0.05,  0.09,  0.05)
165:     strbnd  (  0.684,   0.667,   0.147)  (  0.683,   0.666,   0.146)  ( 0.06,  0.04,  0.01)
165:     torsion ( -1.441,   4.053,  -3.064)  ( -1.441,   4.053,  -3.064)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.060,   0.081,   0.002)  (  0.060,   0.081,   0.002)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 16       ( -0.011,  -0.078,   0.040)  ( -0.010,  -0.073,   0.042)  ( 0.00,  0.05,  0.01)
165:     bond    ( -0.642,   8.502,  -4.741)  ( -0.642,   8.508,  -4.739)  ( 0.00,  0.07,  0.04)
165:     angle   ( -2.615,  -0.955,  -1.361)  ( -2.614,  -0.955,  -1.360)  ( 0.03,  0.02,  0.04)
165:     strbnd  (  0.050,  -9.018,   4.574)  (  0.050,  -9.018,   4.574)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.486,  -1.486,   1.804)  (  1.486,  -1.486,   1.804)  ( 0.00,  0.00,  0.00)
165:     electro (  1.710,   2.879,  -0.236)  (  1.710,   2.879,  -0.236)  ( 0.00,  0.00,  0.00)
165: 17       ( -0.005,   0.002,  -0.011)  ( -0.004,   0.003,  -0.007)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.079,   0.242,   1.908)  ( -0.079,   0.242,   1.911)  ( 0.00,  0.00,  0.17)
165:     angle   ( -1.927,  -2.302,   0.212)  ( -1.927,  -2.301,   0.212)  ( 0.03,  0.03,  0.00)
165:     strbnd  (  0.174,  -0.470,   0.195)  (  0.174,  -0.470,   0.195)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.269,  -0.028,   0.015)  (  0.269,  -0.028,   0.015)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.559,   2.559,  -2.340)  (  1.559,   2.559,  -2.340)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 18       ( -0.013,   0.008,  -0.002)  ( -0.010,   0.010,  -0.001)  ( 0.00,  0.00,  0.00)
165:     bond    (  1.600,  -0.952,  -0.465)  (  1.603,  -0.952,  -0.465)  ( 0.15,  0.08,  0.01)
165:     angle   ( -1.585,  -2.541,  -0.266)  ( -1.585,  -2.540,  -0.265)  ( 0.01,  0.02,  0.01)
165:     strbnd  (  0.041,  -0.375,   0.383)  (  0.041,  -0.375,   0.383)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.115,   0.081,   0.231)  (  0.115,   0.081,   0.231)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.184,   3.795,   0.115)  ( -0.184,   3.795,   0.115)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 19       ( -0.003,   0.007,  -0.003)  ( -0.003,   0.010,  -0.002)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.011,  -0.341,   0.161)  ( -0.011,  -0.338,   0.162)  ( 0.00,  0.09,  0.01)
165:     angle   ( -0.425,  -0.104,  -0.247)  ( -0.425,  -0.104,  -0.246)  ( 0.02,  0.00,  0.01)
165:     strbnd  ( -0.183,  -0.109,  -0.074)  ( -0.183,  -0.109,  -0.074)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.617,   0.560,   0.156)  (  0.617,   0.560,   0.156)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 20       (  0.031,  -0.017,  -0.014)  (  0.033,  -0.015,  -0.014)  ( 0.01,  0.00,  0.00)
165:     bond    ( -1.142,   0.665,   0.296)  ( -1.140,   0.665,   0.296)  ( 0.21,  0.05,  0.00)
165:     angle   ( -0.598,   0.006,  -2.313)  ( -0.598,   0.007,  -2.313)  ( 0.01,  0.00,  0.02)
165:     strbnd  (  0.341,  -0.436,  -0.190)  (  0.341,  -0.436,  -0.190)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.100,  -1.141,   2.178)  ( -0.100,  -1.141,   2.178)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.529,   0.890,   0.014)  (  1.529,   0.890,   0.014)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 21       (  0.003,   0.010,  -0.024)  (  0.003,   0.010,  -0.020)  ( 0.00,  0.00,  0.01)
165:     bond    (  0.025,  -0.167,  -1.404)  (  0.025,  -0.167,  -1.400)  ( 0.00,  0.00,  0.24)
165:     angle   ( -2.115,   1.092,  -0.168)  ( -2.114,   1.093,  -0.168)  ( 0.03,  0.04,  0.00)
165:     strbnd  ( -0.186,  -0.062,   0.552)  ( -0.186,  -0.062,   0.552)  ( 0.00,  0.00,  0.00)
165:     torsion (  1.253,  -2.101,   0.273)  (  1.253,  -2.101,   0.273)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.026,   1.247,   0.724)  (  1.026,   1.247,   0.724)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: ok 8 # gradients 
165: ok 9 # energy 
165: ----------------------------------------------------------------------------------------
165:                                                                                         
165:   VALIDATE GRADIENTS : semdix.xyz
165:                                                                                         
165:                                                                                         
165: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
165: ----------------------------------------------------------------------------------------
165:  1       ( -0.039,  -0.073,   0.047)  ( -0.036,  -0.064,   0.051)  ( 0.01,  0.06,  0.02)
165:     bond    ( -7.512,   1.783,  -2.223)  ( -7.509,   1.791,  -2.220)  ( 0.04,  0.44,  0.14)
165:     angle   (  9.520,   8.593,   6.171)  (  9.521,   8.594,   6.173)  ( 0.01,  0.01,  0.03)
165:     strbnd  (-12.566,   3.932,  -2.829)  (-12.567,   3.932,  -2.830)  ( 0.00,  0.01,  0.02)
165:     torsion (  0.272,   0.999,  -0.774)  (  0.272,   0.999,  -0.774)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  8.163, -13.337,  -0.869)  (  8.163, -13.337,  -0.869)  ( 0.00,  0.00,  0.00)
165:     electro (  2.084,  -2.043,   0.571)  (  2.084,  -2.043,   0.571)  ( 0.00,  0.00,  0.00)
165:  2       ( -0.001,  -0.011,   0.004)  (  0.000,  -0.009,   0.007)  ( 0.00,  0.00,  0.00)
165:     bond    (  0.455,   0.358,  -0.667)  (  0.457,   0.359,  -0.665)  ( 0.05,  0.03,  0.16)
165:     angle   (  4.611,  -3.755,   1.139)  (  4.612,  -3.754,   1.139)  ( 0.01,  0.02,  0.02)
165:     strbnd  ( -0.238,   1.721,   0.675)  ( -0.238,   1.720,   0.675)  ( 0.00,  0.00,  0.01)
165:     torsion (  0.420,  -0.286,   0.134)  (  0.420,  -0.286,   0.134)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  3.879,  -9.651,   0.860)  (  3.879,  -9.651,   0.860)  ( 0.00,  0.00,  0.00)
165:     electro ( -9.129,  11.602,  -2.137)  ( -9.129,  11.602,  -2.137)  ( 0.00,  0.00,  0.00)
165:  3       (  0.003,  -0.013,   0.006)  (  0.004,  -0.007,   0.006)  ( 0.00,  0.01,  0.00)
165:     bond    (  0.045,  -0.386,  -0.051)  (  0.045,  -0.380,  -0.051)  ( 0.00,  0.23,  0.00)
165:     angle   ( -3.619,  -0.541,   0.864)  ( -3.619,  -0.541,   0.864)  ( 0.02,  0.00,  0.03)
165:     strbnd  ( -0.660,   0.252,  -0.120)  ( -0.660,   0.252,  -0.120)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.212,  -0.151,   0.948)  ( -0.212,  -0.151,   0.948)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.344,  -0.504,   0.445)  (  1.344,  -0.504,   0.445)  ( 0.00,  0.00,  0.00)
165:     electro (  3.105,   1.317,  -2.081)  (  3.105,   1.317,  -2.081)  ( 0.00,  0.00,  0.00)
165:  4       (  0.044,   0.056,  -0.067)  (  0.045,   0.058,  -0.063)  ( 0.01,  0.01,  0.02)
165:     bond    ( -0.400,  -0.524,   0.650)  ( -0.398,  -0.522,   0.653)  ( 0.04,  0.10,  0.20)
165:     angle   ( -5.854,   2.869,  -1.277)  ( -5.853,   2.870,  -1.277)  ( 0.01,  0.01,  0.01)
165:     strbnd  ( -1.135,  -0.538,   0.610)  ( -1.135,  -0.538,   0.610)  ( 0.01,  0.01,  0.01)
165:     torsion (  0.032,  -0.698,  -0.538)  (  0.032,  -0.698,  -0.538)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( 10.552,  -8.215,   3.363)  ( 10.552,  -8.215,   3.363)  ( 0.00,  0.00,  0.00)
165:     electro ( -3.151,   7.161,  -2.875)  ( -3.151,   7.161,  -2.875)  ( 0.00,  0.00,  0.00)
165:  5       ( -0.016,  -0.032,  -0.036)  ( -0.011,  -0.028,  -0.031)  ( 0.01,  0.02,  0.02)
165:     bond    (  8.665,  -5.869,  -2.407)  (  8.668,  -5.866,  -2.405)  ( 0.03,  0.04,  0.11)
165:     angle   ( 14.891, -11.135,  -0.108)  ( 14.893, -11.133,  -0.105)  ( 0.02,  0.02,  0.03)
165:     strbnd  ( -4.622,   7.292,  -0.077)  ( -4.623,   7.291,  -0.078)  ( 0.02,  0.01,  0.01)
165:     torsion (  0.115,  -0.478,   0.649)  (  0.115,  -0.478,   0.649)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.615,  -0.366,   0.687)  (  0.615,  -0.366,   0.687)  ( 0.00,  0.00,  0.00)
165:     electro (-19.678,  10.524,   1.221)  (-19.678,  10.524,   1.221)  ( 0.00,  0.00,  0.00)
165:  6       ( -0.030,   0.012,   0.002)  ( -0.026,   0.016,   0.008)  ( 0.01,  0.01,  0.00)
165:     bond    ( -5.107,  28.856,  -3.817)  ( -5.104,  28.859,  -3.812)  ( 0.06,  0.01,  0.13)
165:     angle   (-16.294, -14.070,  -0.576)  (-16.291, -14.068,  -0.574)  ( 0.02,  0.02,  0.12)
165:     strbnd  ( 14.404,  -7.085,   3.027)  ( 14.402,  -7.086,   3.026)  ( 0.01,  0.01,  0.02)
165:     torsion (  0.382,  -0.345,   0.073)  (  0.382,  -0.345,   0.073)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  6.585,  -7.344,   1.295)  (  6.585,  -7.344,   1.295)  ( 0.00,  0.00,  0.01)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:  7       ( -0.008,   0.056,   0.024)  ( -0.002,   0.062,   0.028)  ( 0.00,  0.03,  0.01)
165:     bond    (-17.495,  -2.527,  22.456)  (-17.491,  -2.523,  22.459)  ( 0.02,  0.17,  0.01)
165:     angle   (  6.906,   4.793, -20.315)  (  6.908,   4.795, -20.313)  ( 0.03,  0.05,  0.01)
165:     strbnd  ( -0.312,   0.860,  -1.629)  ( -0.313,   0.860,  -1.630)  ( 0.02,  0.06,  0.07)
165:     torsion (  0.078,   0.540,   0.603)  (  0.078,   0.540,   0.603)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.365,   6.410,  -7.993)  (  0.365,   6.411,  -7.993)  ( 0.01,  0.00,  0.00)
165:     electro ( 10.449, -10.021,   6.902)  ( 10.449, -10.021,   6.902)  ( 0.00,  0.00,  0.00)
165:  8       ( -0.016,   0.021,   0.017)  ( -0.011,   0.026,   0.023)  ( 0.01,  0.01,  0.01)
165:     bond    (  5.818,  -7.958,   2.136)  (  5.822,  -7.954,   2.140)  ( 0.08,  0.05,  0.20)
165:     angle   ( -9.508,   5.167,   2.401)  ( -9.507,   5.169,   2.402)  ( 0.02,  0.04,  0.07)
165:     strbnd  ( -1.075,  -2.063,   3.999)  ( -1.075,  -2.064,   3.999)  ( 0.05,  0.04,  0.01)
165:     torsion (  1.216,   0.373,  -0.759)  (  1.216,   0.373,  -0.759)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  3.533,   4.502,  -7.760)  (  3.533,   4.502,  -7.760)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:  9       ( -0.034,   0.039,   0.014)  ( -0.028,   0.044,   0.018)  ( 0.02,  0.02,  0.01)
165:     bond    (-10.691, -17.476, -11.199)  (-10.687, -17.472, -11.195)  ( 0.04,  0.02,  0.03)
165:     angle   (  6.844,  25.523,   4.420)  (  6.847,  25.525,   4.423)  ( 0.03,  0.01,  0.05)
165:     strbnd  ( -0.703,  -2.771,   2.914)  ( -0.704,  -2.772,   2.913)  ( 0.03,  0.03,  0.04)
165:     torsion ( -1.271,   0.298,  -0.007)  ( -1.271,   0.298,  -0.007)  ( 0.01,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.611,   6.133,   7.845)  ( -0.611,   6.133,   7.845)  ( 0.01,  0.00,  0.00)
165:     electro (  6.398, -11.668,  -3.961)  (  6.398, -11.668,  -3.961)  ( 0.00,  0.00,  0.00)
165: 10       ( -0.043,   0.023,  -0.058)  ( -0.037,   0.029,  -0.053)  ( 0.03,  0.01,  0.03)
165:     bond    (  2.273,   4.210,  -7.157)  (  2.278,   4.215,  -7.153)  ( 0.20,  0.11,  0.06)
165:     angle   ( -4.782,  -9.381,   5.110)  ( -4.780,  -9.380,   5.112)  ( 0.04,  0.02,  0.04)
165:     strbnd  ( -0.590,  -1.767,  -5.703)  ( -0.590,  -1.768,  -5.704)  ( 0.03,  0.02,  0.02)
165:     torsion (  0.624,   0.972,   0.410)  (  0.624,   0.972,   0.410)  ( 0.00,  0.01,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  2.432,   5.989,   7.283)  (  2.432,   5.989,   7.283)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 11       (  0.006,  -0.014,   0.008)  (  0.010,  -0.008,   0.014)  ( 0.00,  0.01,  0.00)
165:     bond    ( 18.679,  -2.807,  -6.521)  ( 18.682,  -2.803,  -6.517)  ( 0.02,  0.16,  0.07)
165:     angle   (-21.205,  14.183,   9.289)  (-21.203,  14.185,   9.291)  ( 0.01,  0.01,  0.02)
165:     strbnd  (  1.878,  -2.321,  -3.338)  (  1.877,  -2.322,  -3.338)  ( 0.08,  0.02,  0.02)
165:     torsion (  0.229,  -0.649,  -0.324)  (  0.229,  -0.649,  -0.324)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -9.496,  -1.546,  -1.456)  ( -9.496,  -1.546,  -1.456)  ( 0.00,  0.01,  0.01)
165:     electro (  9.922,  -6.874,   2.359)  (  9.922,  -6.874,   2.359)  ( 0.00,  0.00,  0.00)
165: 12       ( -0.001,   0.032,   0.005)  (  0.005,   0.038,   0.010)  ( 0.00,  0.02,  0.00)
165:     bond    (  1.992,   4.956,   6.984)  (  1.996,   4.961,   6.989)  ( 0.21,  0.09,  0.06)
165:     angle   (  3.962,  -6.006,  -8.362)  (  3.964,  -6.004,  -8.360)  ( 0.04,  0.03,  0.02)
165:     strbnd  (  4.498,   2.135,   1.871)  (  4.497,   2.135,   1.870)  ( 0.01,  0.03,  0.04)
165:     torsion ( -1.062,   0.377,   0.291)  ( -1.062,   0.377,   0.291)  ( 0.01,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -9.391,  -1.430,  -0.779)  ( -9.391,  -1.430,  -0.779)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 13       (  0.009,   0.002,   0.000)  (  0.010,   0.004,   0.003)  ( 0.00,  0.00,  0.00)
165:     bond    (  0.237,   0.694,   1.067)  (  0.237,   0.695,   1.069)  ( 0.00,  0.07,  0.22)
165:     angle   ( -2.166,   2.271,  -0.996)  ( -2.166,   2.271,  -0.996)  ( 0.03,  0.02,  0.02)
165:     strbnd  ( -0.528,   2.326,  -1.506)  ( -0.528,   2.326,  -1.506)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.333,   0.625,  -0.333)  ( -0.333,   0.625,  -0.333)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  2.799,  -5.914,   1.768)  (  2.799,  -5.914,   1.768)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 14       (  0.001,  -0.041,  -0.025)  (  0.002,  -0.038,  -0.023)  ( 0.00,  0.01,  0.00)
165:     bond    (  0.121,   0.978,   0.855)  (  0.121,   0.980,   0.856)  ( 0.00,  0.19,  0.12)
165:     angle   ( -0.835,  -2.814,   3.339)  ( -0.835,  -2.814,   3.339)  ( 0.04,  0.01,  0.01)
165:     strbnd  ( -1.501,  -1.444,   1.827)  ( -1.501,  -1.444,   1.827)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.525,   0.316,  -0.288)  ( -0.525,   0.316,  -0.288)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  2.741,   2.922,  -5.758)  (  2.741,   2.922,  -5.758)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 15       ( -0.009,  -0.007,  -0.008)  ( -0.006,  -0.006,  -0.008)  ( 0.00,  0.00,  0.00)
165:     bond    (  2.025,   0.488,   0.203)  (  2.028,   0.489,   0.203)  ( 0.16,  0.01,  0.00)
165:     angle   (  0.918,  -6.276,   5.935)  (  0.918,  -6.276,   5.935)  ( 0.00,  0.01,  0.01)
165:     strbnd  (  0.315,  -0.157,   2.848)  (  0.315,  -0.157,   2.848)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.156,  -0.632,  -0.038)  (  0.156,  -0.632,  -0.038)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -3.424,   6.571,  -8.956)  ( -3.423,   6.571,  -8.956)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 16       (  0.004,  -0.019,  -0.010)  (  0.005,  -0.017,  -0.009)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.003,  -0.033,  -0.027)  ( -0.003,  -0.031,  -0.026)  ( 0.00,  0.01,  0.00)
165:     angle   (  0.672,  -2.508,   2.974)  (  0.672,  -2.507,   2.974)  ( 0.03,  0.01,  0.01)
165:     strbnd  (  0.326,  -0.072,   0.486)  (  0.326,  -0.072,   0.486)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.349,  -0.122,   0.183)  ( -0.349,  -0.122,   0.183)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.641,   2.715,  -3.627)  ( -0.641,   2.716,  -3.627)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 17       ( -0.002,  -0.006,  -0.010)  ( -0.001,  -0.005,  -0.007)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.770,  -0.513,   1.530)  ( -0.769,  -0.513,   1.533)  ( 0.05,  0.01,  0.16)
165:     angle   (  0.484,  -0.101,   0.210)  (  0.485,  -0.100,   0.210)  ( 0.02,  0.00,  0.00)
165:     strbnd  (  0.903,  -0.019,  -1.089)  (  0.903,  -0.019,  -1.089)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.167,  -0.152,  -0.135)  ( -0.167,  -0.152,  -0.135)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.453,   0.779,  -0.526)  ( -0.453,   0.779,  -0.526)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 18       (  0.009,  -0.007,  -0.006)  (  0.013,  -0.006,  -0.005)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.186,  -0.031,  -0.038)  ( -0.183,  -0.031,  -0.038)  ( 0.06,  0.00,  0.00)
165:     angle   ( -0.001,  -3.690,   3.012)  ( -0.001,  -3.689,   3.012)  ( 0.00,  0.01,  0.01)
165:     strbnd  ( -0.238,  -0.555,   0.057)  ( -0.238,  -0.555,   0.057)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.181,   0.195,   0.704)  ( -0.181,   0.195,   0.704)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.615,   4.074,  -3.740)  (  0.615,   4.074,  -3.740)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 19       (  0.019,  -0.041,   0.008)  (  0.020,  -0.038,   0.009)  ( 0.00,  0.01,  0.00)
165:     bond    (  0.677,  -1.445,   0.292)  (  0.678,  -1.442,   0.292)  ( 0.04,  0.19,  0.00)
165:     angle   ( -1.005,  -1.216,  -3.671)  ( -1.005,  -1.216,  -3.670)  ( 0.04,  0.01,  0.02)
165:     strbnd  ( -1.742,  -0.148,  -1.789)  ( -1.742,  -0.148,  -1.789)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.210,   0.090,  -0.042)  (  0.210,   0.090,  -0.042)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.877,   2.677,   5.218)  (  1.877,   2.677,   5.218)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 20       ( -0.005,  -0.001,   0.002)  ( -0.002,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.952,  -0.106,   0.112)  ( -0.948,  -0.106,   0.112)  ( 0.32,  0.00,  0.00)
165:     angle   (  0.138,  -5.030,  -3.586)  (  0.138,  -5.030,  -3.585)  ( 0.00,  0.01,  0.02)
165:     strbnd  (  0.526,  -1.605,  -1.670)  (  0.526,  -1.605,  -1.670)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.072,  -0.421,   0.214)  (  0.072,  -0.421,   0.214)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.210,   7.161,   4.932)  (  0.210,   7.161,   4.932)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 21       (  0.018,  -0.034,   0.016)  (  0.019,  -0.031,   0.017)  ( 0.00,  0.01,  0.00)
165:     bond    (  0.310,  -0.673,   0.202)  (  0.310,  -0.671,   0.202)  ( 0.02,  0.18,  0.00)
165:     angle   (  0.167,  -1.396,  -4.895)  (  0.167,  -1.396,  -4.895)  ( 0.01,  0.01,  0.01)
165:     strbnd  (  0.282,  -0.193,  -0.326)  (  0.282,  -0.193,  -0.326)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.415,  -0.240,  -0.161)  ( -0.415,  -0.240,  -0.161)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.326,   2.469,   5.196)  ( -0.326,   2.469,   5.196)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 22       (  0.021,   0.013,   0.021)  (  0.022,   0.015,   0.022)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.705,  -1.304,  -1.176)  ( -0.704,  -1.303,  -1.174)  ( 0.03,  0.12,  0.11)
165:     angle   (  0.266,   0.180,  -0.359)  (  0.266,   0.180,  -0.359)  ( 0.01,  0.00,  0.01)
165:     strbnd  (  0.688,   1.241,   0.578)  (  0.688,   1.241,   0.578)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.120,   0.072,  -0.007)  ( -0.120,   0.072,  -0.007)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.109,  -0.174,   0.986)  ( -0.109,  -0.174,   0.986)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 23       ( -0.000,  -0.006,  -0.006)  (  0.003,  -0.006,  -0.006)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.046,  -0.002,   0.007)  ( -0.043,  -0.002,   0.007)  ( 0.02,  0.00,  0.00)
165:     angle   ( -0.685,  -1.089,  -4.223)  ( -0.685,  -1.089,  -4.222)  ( 0.00,  0.04,  0.01)
165:     strbnd  ( -0.401,   0.150,  -0.337)  ( -0.401,   0.150,  -0.337)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.006,  -0.562,  -0.156)  ( -0.006,  -0.562,  -0.156)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.137,   1.497,   4.703)  (  1.137,   1.497,   4.703)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 24       (  0.001,   0.001,  -0.010)  (  0.002,   0.002,  -0.007)  ( 0.00,  0.00,  0.00)
165:     bond    (  0.241,   0.312,  -0.823)  (  0.241,   0.312,  -0.820)  ( 0.01,  0.01,  0.23)
165:     angle   (  6.530,  -0.021,   1.914)  (  6.530,  -0.020,   1.914)  ( 0.01,  0.00,  0.01)
165:     strbnd  (  1.607,  -0.705,   1.140)  (  1.607,  -0.705,   1.140)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.241,   0.199,   0.005)  ( -0.241,   0.199,   0.005)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -8.135,   0.216,  -2.247)  ( -8.135,   0.216,  -2.246)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 25       (  0.001,  -0.003,  -0.006)  (  0.002,  -0.000,  -0.005)  ( 0.00,  0.00,  0.00)
165:     bond    (  0.584,  -1.508,   0.127)  (  0.584,  -1.505,   0.127)  ( 0.03,  0.19,  0.00)
165:     angle   (  3.179,   1.068,  -1.976)  (  3.180,   1.068,  -1.975)  ( 0.02,  0.01,  0.03)
165:     strbnd  (  1.545,   1.128,  -0.502)  (  1.545,   1.128,  -0.502)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.227,   0.048,  -0.478)  (  0.227,   0.048,  -0.478)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -5.534,  -0.739,   2.823)  ( -5.534,  -0.739,   2.823)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 26       (  0.000,  -0.022,  -0.005)  (  0.001,  -0.019,  -0.005)  ( 0.00,  0.01,  0.00)
165:     bond    ( -0.113,   0.424,  -0.059)  ( -0.112,   0.427,  -0.059)  ( 0.00,  0.13,  0.00)
165:     angle   (  3.229,   1.089,   1.750)  (  3.230,   1.089,   1.750)  ( 0.01,  0.00,  0.03)
165:     strbnd  (  0.321,  -0.323,   0.447)  (  0.321,  -0.323,   0.447)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.630,   0.104,  -0.450)  (  0.630,   0.104,  -0.450)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -4.068,  -1.316,  -1.694)  ( -4.067,  -1.316,  -1.694)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 27       (  0.003,  -0.007,  -0.005)  (  0.004,  -0.006,  -0.002)  ( 0.00,  0.00,  0.00)
165:     bond    (  0.111,   0.117,  -0.410)  (  0.111,   0.118,  -0.407)  ( 0.00,  0.00,  0.12)
165:     angle   (  3.583,   2.700,   1.758)  (  3.583,   2.701,   1.758)  ( 0.01,  0.02,  0.00)
165:     strbnd  (  0.267,   0.398,   0.009)  (  0.267,   0.398,   0.009)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.217,  -0.162,   0.012)  (  0.217,  -0.162,   0.012)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -4.174,  -3.061,  -1.375)  ( -4.174,  -3.061,  -1.375)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 28       ( -0.011,  -0.006,   0.002)  ( -0.007,  -0.005,   0.002)  ( 0.00,  0.00,  0.00)
165:     bond    (  1.690,  -0.082,  -0.103)  (  1.693,  -0.082,  -0.103)  ( 0.20,  0.00,  0.00)
165:     angle   (  0.030,   0.569,   0.034)  (  0.030,   0.569,   0.035)  ( 0.00,  0.03,  0.00)
165:     strbnd  ( -1.242,   0.339,   0.433)  ( -1.242,   0.339,   0.433)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.001,  -0.311,   0.262)  (  0.001,  -0.311,   0.262)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.489,  -0.521,  -0.624)  ( -0.489,  -0.521,  -0.624)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: ok 10 # gradients 
165: ok 11 # energy 
165: ----------------------------------------------------------------------------------------
165:                                                                                         
165:   VALIDATE GRADIENTS : surdox02.xyz
165:                                                                                         
165:                                                                                         
165: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
165: ----------------------------------------------------------------------------------------
165:  1       (  0.013,  -0.116,  -0.042)  (  0.127,  -0.099,  -0.306)  ( 0.15,  0.20,  1.11)
165:     bond    (  2.996,  -0.181,   5.906)  (  3.000,  -0.170,   5.908)  ( 0.14,  0.21,  0.03)
165:     angle   ( -0.615,   0.021,  -2.208)  ( -0.614,   0.022,  -2.207)  ( 0.09,  0.00,  0.06)
165:     strbnd  ( 31.994,  -0.001,  12.086)  ( 31.994,  -0.002,  12.085)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.329,   0.014,  -0.811)  (  0.329,   0.014,  -0.811)  ( 0.00,  0.00,  0.01)
165:     oop     ( -0.655,  -0.027,   1.614)  ( -0.546,  -0.023,   1.348)  ( 7.08,  0.01, 16.52)
165:     vdw     ( -1.367,   0.002,  -0.677)  ( -1.367,   0.002,  -0.677)  ( 0.00,  0.00,  0.00)
165:     electro (-32.669,   0.057, -15.952)  (-32.669,   0.057, -15.952)  ( 0.00,  0.00,  0.00)
165:  2       ( -0.031,  -0.005,  -0.000)  ( -0.036,   0.000,   0.210)  ( 0.02,  0.00,  0.01)
165:     bond    (-24.654,  -0.013,  -8.873)  (-24.650,  -0.006,  -8.872)  ( 0.02,  0.01,  0.01)
165:     angle   ( 26.151,  -0.059,  14.095)  ( 26.154,  -0.057,  14.095)  ( 0.01,  0.01,  0.00)
165:     strbnd  ( -2.586,   0.026,  -2.810)  ( -2.588,   0.025,  -2.810)  ( 0.08,  0.00,  0.00)
165:     torsion (  0.950,   0.026,  -1.404)  (  0.950,   0.026,  -1.404)  ( 0.01,  0.00,  0.03)
165:     oop     (  0.109,   0.015,  -1.009)  (  0.099,   0.012,  -0.800)  ( 0.10,  0.00, 20.76)
165:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:  3       (  0.030,  -0.079,  -0.004)  ( -0.460,  -0.155,   0.812)  ( 1.47,  0.60,  0.36)
165:     bond    (  3.669,  20.808,   1.591)  (  3.675,  20.815,   1.593)  ( 0.15,  0.03,  0.11)
165:     angle   (-16.152,   8.087,  -6.190)  (-16.150,   8.089,  -6.189)  ( 0.01,  0.02,  0.01)
165:     strbnd  (-15.060, -18.986,  -5.342)  (-15.060, -18.986,  -5.342)  ( 0.00,  0.00,  0.00)
165:     torsion ( -4.285,   0.335,   9.829)  ( -4.285,   0.335,   9.829)  ( 0.00,  0.00,  0.00)
165:     oop     (  3.601,   1.017,  -6.100)  (  3.104,   0.933,  -5.286)  (13.80,  8.25, 13.34)
165:     vdw     (  4.304,  -0.146,   0.652)  (  4.304,  -0.146,   0.652)  ( 0.00,  0.00,  0.00)
165:     electro ( 23.952, -11.196,   5.555)  ( 23.952, -11.196,   5.555)  ( 0.00,  0.00,  0.00)
165:  4       (  0.007,   0.012,  -0.004)  (  0.009,   0.018,  -0.003)  ( 0.00,  0.01,  0.00)
165:     bond    (  1.917,   4.448,  -1.522)  (  1.918,   4.454,  -1.521)  ( 0.06,  0.13,  0.05)
165:     angle   (  0.657,  -0.203,   0.234)  (  0.657,  -0.203,   0.234)  ( 0.04,  0.00,  0.01)
165:     strbnd  (  0.365,   0.126,   0.367)  (  0.365,   0.126,   0.367)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -4.311,  -0.150,  -0.658)  ( -4.311,  -0.150,  -0.658)  ( 0.00,  0.00,  0.00)
165:     electro (  1.379,  -4.208,   1.576)  (  1.379,  -4.208,   1.576)  ( 0.00,  0.00,  0.00)
165:  5       (  0.011,   0.000,   0.007)  (  0.314,   0.017,  -0.395)  ( 0.34,  0.00,  0.28)
165:     bond    (  2.147,   0.095,   1.594)  (  2.150,   0.095,   1.596)  ( 0.15,  0.00,  0.11)
165:     angle   (  0.148,  -1.267,  -0.124)  (  0.148,  -1.266,  -0.124)  ( 0.00,  0.05,  0.00)
165:     strbnd  (  0.091,   0.467,  -0.005)  (  0.091,   0.467,  -0.005)  ( 0.00,  0.00,  0.00)
165:     torsion (  2.685,  -0.730,  -3.574)  (  2.685,  -0.730,  -3.574)  ( 0.00,  0.00,  0.00)
165:     oop     ( -2.057,  -0.336,   2.792)  ( -1.758,  -0.320,   2.387)  (14.55,  0.54, 14.48)
165:     vdw     ( -0.057,   0.074,  -0.025)  ( -0.057,   0.074,  -0.025)  ( 0.00,  0.00,  0.00)
165:     electro ( -2.946,   1.696,  -0.650)  ( -2.946,   1.696,  -0.650)  ( 0.00,  0.00,  0.00)
165:  6       ( -0.032,   0.038,  -0.003)  (  0.117,   0.131,  -0.383)  ( 0.49,  0.35,  0.12)
165:     bond    (  2.991,  -4.569,   0.099)  (  2.993,  -4.566,   0.099)  ( 0.05,  0.07,  0.00)
165:     angle   (  2.530,   1.664,   0.255)  (  2.530,   1.664,   0.256)  ( 0.02,  0.01,  0.00)
165:     strbnd  ( -0.003,   0.684,   0.085)  ( -0.003,   0.684,   0.085)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.960,   0.517,  -5.145)  (  0.960,   0.517,  -5.145)  ( 0.00,  0.00,  0.00)
165:     oop     ( -1.271,  -0.767,   3.004)  ( -1.123,  -0.679,   2.624)  (11.64,  6.80, 12.66)
165:     vdw     (  0.745,   0.835,   0.378)  (  0.745,   0.835,   0.378)  ( 0.00,  0.00,  0.00)
165:     electro ( -5.985,   1.676,   1.320)  ( -5.985,   1.676,   1.320)  ( 0.00,  0.00,  0.00)
165:  7       ( -0.036,   0.074,   0.033)  ( -0.035,   0.080,   0.034)  ( 0.01,  0.04,  0.00)
165:     bond    (  1.920,  -4.294,  -1.614)  (  1.922,  -4.288,  -1.613)  ( 0.06,  0.13,  0.05)
165:     angle   (  0.658,   0.204,   0.241)  (  0.659,   0.204,   0.242)  ( 0.04,  0.00,  0.01)
165:     strbnd  (  0.365,  -0.134,   0.362)  (  0.365,  -0.134,   0.361)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -4.313,   0.123,  -0.654)  ( -4.313,   0.123,  -0.654)  ( 0.00,  0.00,  0.00)
165:     electro (  1.333,   4.175,   1.698)  (  1.333,   4.175,   1.698)  ( 0.00,  0.00,  0.00)
165:  8       ( -0.030,   0.041,  -0.031)  ( -0.521,   0.105,   0.787)  ( 1.48,  0.26,  2.57)
165:     bond    (  3.840, -20.844,   0.957)  (  3.846, -20.837,   0.959)  ( 0.14,  0.03,  0.17)
165:     angle   (-16.070,  -8.077,  -6.428)  (-16.068,  -8.075,  -6.428)  ( 0.01,  0.02,  0.01)
165:     strbnd  (-15.264,  18.971,  -4.788)  (-15.265,  18.971,  -4.788)  ( 0.00,  0.00,  0.00)
165:     torsion ( -4.280,  -0.668,   9.814)  ( -4.280,  -0.668,   9.814)  ( 0.00,  0.00,  0.00)
165:     oop     (  3.611,  -0.800,  -6.126)  (  3.114,  -0.745,  -5.311)  (13.78,  4.38, 13.32)
165:     vdw     (  4.302,   0.173,   0.657)  (  4.302,   0.173,   0.657)  ( 0.00,  0.00,  0.00)
165:     electro ( 23.831,  11.286,   5.883)  ( 23.831,  11.286,   5.883)  ( 0.00,  0.00,  0.00)
165:  9       (  0.044,  -0.007,   0.032)  (  0.346,  -0.007,  -0.371)  ( 1.32,  0.00,  1.28)
165:     bond    (  2.181,  -0.120,   1.616)  (  2.185,  -0.120,   1.617)  ( 0.14,  0.00,  0.11)
165:     angle   (  0.134,   1.267,  -0.087)  (  0.134,   1.267,  -0.087)  ( 0.00,  0.05,  0.00)
165:     strbnd  (  0.096,  -0.466,  -0.019)  (  0.096,  -0.466,  -0.019)  ( 0.00,  0.00,  0.00)
165:     torsion (  2.677,   0.863,  -3.551)  (  2.677,   0.863,  -3.551)  ( 0.00,  0.00,  0.00)
165:     oop     ( -2.060,   0.232,   2.800)  ( -1.761,   0.231,   2.396)  (14.53,  0.03, 14.45)
165:     vdw     ( -0.056,  -0.074,  -0.027)  ( -0.056,  -0.074,  -0.027)  ( 0.00,  0.00,  0.00)
165:     electro ( -2.928,  -1.708,  -0.700)  ( -2.928,  -1.708,  -0.700)  ( 0.00,  0.00,  0.00)
165: 10       ( -0.012,  -0.017,  -0.002)  (  0.139,  -0.089,  -0.384)  ( 0.17,  0.12,  0.07)
165:     bond    (  2.961,   4.619,   0.235)  (  2.962,   4.623,   0.235)  ( 0.05,  0.07,  0.00)
165:     angle   (  2.550,  -1.645,   0.209)  (  2.551,  -1.645,   0.209)  ( 0.02,  0.01,  0.00)
165:     strbnd  (  0.004,  -0.685,   0.065)  (  0.004,  -0.685,   0.065)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.965,  -0.356,  -5.158)  (  0.965,  -0.356,  -5.158)  ( 0.00,  0.00,  0.00)
165:     oop     ( -1.278,   0.666,   3.025)  ( -1.130,   0.590,   2.642)  (11.64,  5.06, 12.65)
165:     vdw     (  0.753,  -0.837,   0.354)  (  0.753,  -0.837,   0.354)  ( 0.00,  0.00,  0.00)
165:     electro ( -5.967,  -1.778,   1.269)  ( -5.967,  -1.778,   1.269)  ( 0.00,  0.00,  0.00)
165: ok 12 # gradients 
165: ok 13 # energy 
165: ----------------------------------------------------------------------------------------
165:                                                                                         
165:   VALIDATE GRADIENTS : valwou.xyz
165:                                                                                         
165:                                                                                         
165: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
165: ----------------------------------------------------------------------------------------
165:  1       ( -0.011,   0.008,  -0.002)  ( -0.007,   0.009,   0.001)  ( 0.00,  0.00,  0.00)
165:     bond    (-15.066,   0.590,  13.579)  (-15.064,   0.590,  13.581)  ( 0.02,  0.02,  0.01)
165:     angle   (  8.215,  21.265,  -1.187)  (  8.215,  21.265,  -1.186)  ( 0.01,  0.00,  0.09)
165:     strbnd  ( 13.283,   1.537, -11.705)  ( 13.283,   1.537, -11.705)  ( 0.00,  0.01,  0.00)
165:     torsion (  0.469,  -0.818,  -0.491)  (  0.469,  -0.818,  -0.491)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (-16.349, -14.076,  -9.889)  (-16.349, -14.076,  -9.889)  ( 0.00,  0.00,  0.00)
165:     electro (  9.439,  -8.489,   9.691)  (  9.439,  -8.489,   9.691)  ( 0.00,  0.00,  0.00)
165:  2       (  0.049,  -0.041,  -0.050)  (  0.056,  -0.038,  -0.044)  ( 0.03,  0.01,  0.03)
165:     bond    ( -1.989,  -5.973,   5.396)  ( -1.982,  -5.971,   5.401)  ( 0.31,  0.05,  0.09)
165:     angle   ( 12.171,  18.575,  -1.290)  ( 12.172,  18.576,  -1.289)  ( 0.01,  0.01,  0.12)
165:     strbnd  ( -6.382, -16.381,   1.658)  ( -6.383, -16.382,   1.658)  ( 0.01,  0.00,  0.03)
165:     torsion (  1.307,  -0.613,  -0.923)  (  1.307,  -0.613,  -0.923)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -4.101,   3.444,  -3.337)  ( -4.101,   3.444,  -3.336)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.957,   0.907,  -1.554)  ( -0.957,   0.907,  -1.554)  ( 0.00,  0.00,  0.00)
165:  3       ( -0.003,   0.017,   0.026)  ( -0.002,   0.019,   0.030)  ( 0.00,  0.00,  0.01)
165:     bond    (  0.886,  -2.327,  -4.505)  (  0.886,  -2.325,  -4.501)  ( 0.02,  0.05,  0.10)
165:     angle   ( -9.163,  -7.934,   2.295)  ( -9.162,  -7.934,   2.295)  ( 0.01,  0.00,  0.00)
165:     strbnd  (  0.035,  -1.201,  -0.650)  (  0.035,  -1.201,  -0.650)  ( 0.00,  0.01,  0.01)
165:     torsion ( -1.075,   0.327,  -0.381)  ( -1.075,   0.327,  -0.381)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -2.954,   9.054,  -3.466)  ( -2.954,   9.054,  -3.466)  ( 0.00,  0.00,  0.00)
165:     electro ( 12.267,   2.097,   6.733)  ( 12.267,   2.097,   6.733)  ( 0.00,  0.00,  0.00)
165:  4       ( -0.066,   0.014,   0.013)  ( -0.060,   0.015,   0.014)  ( 0.04,  0.00,  0.00)
165:     bond    ( -1.807,   0.231,   0.350)  ( -1.802,   0.231,   0.350)  ( 0.32,  0.00,  0.01)
165:     angle   ( -2.264, -11.394,  -4.125)  ( -2.264, -11.394,  -4.124)  ( 0.00,  0.01,  0.01)
165:     strbnd  ( -1.121,  -0.534,   0.432)  ( -1.121,  -0.534,   0.432)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.219,   0.087,   1.070)  (  0.219,   0.087,   1.070)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -5.300,   9.953, -11.232)  ( -5.300,   9.953, -11.232)  ( 0.00,  0.00,  0.00)
165:     electro ( 10.207,   1.672,  13.519)  ( 10.207,   1.672,  13.519)  ( 0.00,  0.00,  0.00)
165:  5       (  0.024,  -0.012,   0.001)  (  0.031,  -0.008,   0.006)  ( 0.02,  0.00,  0.00)
165:     bond    ( -2.431,  13.799,  -9.128)  ( -2.426,  13.802,  -9.124)  ( 0.21,  0.02,  0.05)
165:     angle   (-13.514, -12.442,   3.433)  (-13.512, -12.439,   3.435)  ( 0.02,  0.02,  0.07)
165:     strbnd  ( 10.215,   7.073,   7.282)  ( 10.214,   7.072,   7.280)  ( 0.01,  0.02,  0.02)
165:     torsion ( -0.178,  -0.134,  -0.164)  ( -0.178,  -0.134,  -0.164)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -3.406,   1.106,   0.053)  ( -3.406,   1.106,   0.053)  ( 0.00,  0.00,  0.00)
165:     electro (  9.338,  -9.414,  -1.474)  (  9.338,  -9.414,  -1.474)  ( 0.00,  0.00,  0.00)
165:  6       ( -0.012,   0.002,   0.003)  ( -0.008,   0.003,   0.004)  ( 0.01,  0.00,  0.00)
165:     bond    (  1.492,  -0.032,   0.115)  (  1.496,  -0.032,   0.116)  ( 0.29,  0.00,  0.00)
165:     angle   (  0.143,   3.198,  -0.968)  (  0.143,   3.199,  -0.968)  ( 0.00,  0.02,  0.08)
165:     strbnd  (  0.299,   1.855,  -1.309)  (  0.299,   1.855,  -1.309)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.068,   0.501,   1.024)  ( -0.068,   0.501,   1.024)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.080,  -0.124,  -0.022)  (  0.080,  -0.124,  -0.022)  ( 0.00,  0.00,  0.00)
165:     electro ( -1.958,  -5.395,   1.163)  ( -1.958,  -5.395,   1.163)  ( 0.00,  0.00,  0.00)
165:  7       ( -0.003,   0.001,  -0.011)  ( -0.002,   0.003,  -0.008)  ( 0.00,  0.00,  0.00)
165:     bond    (  1.037,  -1.995,  -2.372)  (  1.037,  -1.994,  -2.370)  ( 0.04,  0.08,  0.10)
165:     angle   (  7.753,   4.193,  -0.134)  (  7.753,   4.193,  -0.134)  ( 0.01,  0.01,  0.00)
165:     strbnd  ( -1.461,   4.844,   2.139)  ( -1.461,   4.844,   2.139)  ( 0.01,  0.00,  0.00)
165:     torsion ( -0.878,  -0.004,  -0.381)  ( -0.878,  -0.004,  -0.381)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -4.671,  -0.499,  -3.122)  ( -4.671,  -0.499,  -3.122)  ( 0.00,  0.00,  0.00)
165:     electro ( -1.784,  -6.538,   3.859)  ( -1.784,  -6.538,   3.859)  ( 0.00,  0.00,  0.00)
165:  8       ( -0.032,  -0.009,  -0.062)  ( -0.026,  -0.003,  -0.056)  ( 0.02,  0.01,  0.04)
165:     bond    ( 28.388,  -6.583,  25.817)  ( 28.392,  -6.579,  25.822)  ( 0.01,  0.07,  0.02)
165:     angle   ( 20.852, -42.145,   9.628)  ( 20.855, -42.143,   9.631)  ( 0.01,  0.01,  0.03)
165:     strbnd  (-22.777,  13.988,  -5.015)  (-22.779,  13.987,  -5.016)  ( 0.01,  0.01,  0.03)
165:     torsion (  0.321,   0.437,   0.397)  (  0.321,   0.437,   0.397)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -4.001,  -4.773,  -0.834)  ( -4.001,  -4.773,  -0.833)  ( 0.00,  0.00,  0.01)
165:     electro (-22.814,  39.068, -30.055)  (-22.814,  39.068, -30.055)  ( 0.00,  0.00,  0.00)
165:  9       ( -0.012,  -0.016,   0.015)  ( -0.010,  -0.015,   0.019)  ( 0.00,  0.00,  0.01)
165:     bond    (  4.898,   2.108, -13.219)  (  4.899,   2.108, -13.215)  ( 0.01,  0.00,  0.03)
165:     angle   (-15.468,  14.840,  -3.366)  (-15.467,  14.841,  -3.366)  ( 0.00,  0.01,  0.00)
165:     strbnd  (  2.100,  -0.558,   3.958)  (  2.100,  -0.557,   3.957)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.237,   0.413,  -0.022)  ( -0.237,   0.413,  -0.022)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  2.287,  -9.907,  -2.057)  (  2.287,  -9.907,  -2.057)  ( 0.01,  0.00,  0.00)
165:     electro (  6.408,  -6.914,  14.722)  (  6.408,  -6.914,  14.722)  ( 0.00,  0.00,  0.00)
165: 10       (  0.005,   0.002,  -0.008)  (  0.006,   0.006,  -0.007)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.622,   8.610,  -1.046)  ( -0.621,   8.614,  -1.046)  ( 0.00,  0.05,  0.01)
165:     angle   ( -2.836,  -0.584,  -3.128)  ( -2.836,  -0.584,  -3.128)  ( 0.03,  0.00,  0.03)
165:     strbnd  (  3.566,  -9.587,   2.403)  (  3.565,  -9.587,   2.403)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.022,  -0.015,  -0.134)  (  0.022,  -0.015,  -0.134)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -6.627,  -4.176,  -5.962)  ( -6.626,  -4.176,  -5.962)  ( 0.00,  0.00,  0.00)
165:     electro (  6.502,   5.754,   7.859)  (  6.502,   5.754,   7.859)  ( 0.00,  0.00,  0.00)
165: 11       (  0.002,   0.013,   0.066)  (  0.007,   0.019,   0.072)  ( 0.00,  0.01,  0.04)
165:     bond    (  1.773,   2.387,  -5.000)  (  1.776,   2.390,  -4.997)  ( 0.16,  0.12,  0.06)
165:     angle   (  0.727,  15.938,  -2.297)  (  0.730,  15.941,  -2.294)  ( 0.20,  0.02,  0.12)
165:     strbnd  (  3.999,   0.582,   7.350)  (  3.998,   0.581,   7.349)  ( 0.02,  0.04,  0.01)
165:     torsion (  0.269,  -0.168,  -0.155)  (  0.269,  -0.168,  -0.155)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (-12.090,  -5.836, -10.984)  (-12.090,  -5.836, -10.983)  ( 0.00,  0.00,  0.00)
165:     electro (  5.324, -12.890,  11.152)  (  5.324, -12.890,  11.152)  ( 0.00,  0.00,  0.00)
165: 12       (  0.053,   0.047,   0.012)  (  0.059,   0.054,   0.016)  ( 0.03,  0.03,  0.00)
165:     bond    ( 12.471,   8.264,  -8.201)  ( 12.475,   8.269,  -8.198)  ( 0.03,  0.05,  0.04)
165:     angle   ( -4.431,  -3.492,  12.184)  ( -4.428,  -3.490,  12.186)  ( 0.05,  0.06,  0.02)
165:     strbnd  ( -0.524,  -0.135,  -1.592)  ( -0.525,  -0.135,  -1.593)  ( 0.04,  0.01,  0.09)
165:     torsion (  0.324,   0.205,  -0.795)  (  0.324,   0.205,  -0.795)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -2.153,  -5.825,  12.012)  ( -2.153,  -5.825,  12.012)  ( 0.01,  0.00,  0.00)
165:     electro ( -5.634,   1.031, -13.597)  ( -5.634,   1.031, -13.597)  ( 0.00,  0.00,  0.00)
165: 13       ( -0.033,   0.044,  -0.066)  ( -0.028,   0.050,  -0.060)  ( 0.02,  0.02,  0.04)
165:     bond    ( -1.022,   2.769, -11.636)  ( -1.018,   2.773, -11.632)  ( 0.38,  0.15,  0.04)
165:     angle   (  2.667,  -0.692,   3.803)  (  2.669,  -0.690,   3.805)  ( 0.08,  0.14,  0.05)
165:     strbnd  ( -0.724,  -0.340,  -1.109)  ( -0.725,  -0.341,  -1.109)  ( 0.06,  0.02,  0.06)
165:     torsion (  0.405,   1.098,  -1.920)  (  0.405,   1.098,  -1.920)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -1.359,  -2.790,  10.796)  ( -1.359,  -2.790,  10.796)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 14       (  0.007,  -0.025,   0.013)  (  0.013,  -0.021,   0.019)  ( 0.00,  0.01,  0.01)
165:     bond    ( 11.175, -20.171,  13.213)  ( 11.179, -20.168,  13.217)  ( 0.04,  0.02,  0.03)
165:     angle   (  2.571,   9.759,   3.518)  (  2.573,   9.761,   3.520)  ( 0.08,  0.02,  0.06)
165:     strbnd  ( -2.280,   2.701,  -3.055)  ( -2.280,   2.700,  -3.056)  ( 0.02,  0.05,  0.02)
165:     torsion ( -0.110,  -0.615,   0.673)  ( -0.110,  -0.615,   0.673)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.374,  10.869,  -0.069)  (  0.374,  10.869,  -0.069)  ( 0.01,  0.00,  0.00)
165:     electro (-11.723,  -2.568, -14.267)  (-11.723,  -2.568, -14.267)  ( 0.00,  0.00,  0.00)
165: 15       (  0.013,  -0.037,  -0.024)  (  0.019,  -0.032,  -0.019)  ( 0.01,  0.02,  0.01)
165:     bond    ( -3.351, -12.352,  -4.364)  ( -3.347, -12.347,  -4.360)  ( 0.12,  0.03,  0.09)
165:     angle   (  1.262,   4.111,   2.963)  (  1.264,   4.113,   2.965)  ( 0.16,  0.05,  0.07)
165:     strbnd  (  0.414,  -1.051,   0.669)  (  0.413,  -1.052,   0.669)  ( 0.03,  0.07,  0.04)
165:     torsion (  0.521,  -2.349,  -0.078)  (  0.521,  -2.349,  -0.078)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.168,  11.604,   0.785)  (  1.168,  11.604,   0.785)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 16       ( -0.001,   0.047,  -0.037)  (  0.003,   0.054,  -0.031)  ( 0.00,  0.03,  0.02)
165:     bond    (-10.254,  10.924,  12.441)  (-10.251,  10.929,  12.446)  ( 0.03,  0.04,  0.03)
165:     angle   ( 11.832,  -5.832,   1.537)  ( 11.834,  -5.830,   1.540)  ( 0.02,  0.04,  0.14)
165:     strbnd  (  3.079,  -1.593,  -1.792)  (  3.078,  -1.593,  -1.793)  ( 0.04,  0.03,  0.03)
165:     torsion ( -0.671,   0.413,   0.394)  ( -0.671,   0.413,   0.394)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( 10.629,  -5.544,  -4.869)  ( 10.629,  -5.544,  -4.869)  ( 0.00,  0.00,  0.00)
165:     electro (-14.616,   1.679,  -7.750)  (-14.616,   1.679,  -7.750)  ( 0.00,  0.00,  0.00)
165: 17       (  0.044,  -0.013,  -0.069)  (  0.050,  -0.007,  -0.064)  ( 0.02,  0.01,  0.04)
165:     bond    (-11.600,   1.517,   0.561)  (-11.596,   1.521,   0.565)  ( 0.04,  0.28,  0.22)
165:     angle   (  4.361,   1.078,   1.006)  (  4.363,   1.080,   1.008)  ( 0.05,  0.19,  0.21)
165:     strbnd  ( -1.688,  -0.141,  -0.612)  ( -1.689,  -0.142,  -0.613)  ( 0.04,  0.01,  0.05)
165:     torsion ( -1.913,   0.730,   0.873)  ( -1.913,   0.730,   0.873)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( 10.884,  -3.197,  -1.897)  ( 10.884,  -3.196,  -1.897)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 18       ( -0.052,   0.010,   0.016)  ( -0.046,   0.015,   0.022)  ( 0.03,  0.01,  0.01)
165:     bond    ( -8.989,  -3.786,  -7.821)  ( -8.985,  -3.782,  -7.817)  ( 0.04,  0.10,  0.05)
165:     angle   ( -7.201,  -4.293,  -6.623)  ( -7.199,  -4.291,  -6.620)  ( 0.03,  0.05,  0.03)
165:     strbnd  (  0.874,   0.570,   0.666)  (  0.873,   0.569,   0.665)  ( 0.06,  0.05,  0.05)
165:     torsion (  3.308,   1.707,   2.879)  (  3.308,   1.708,   2.879)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( 11.956,   5.812,  10.915)  ( 11.956,   5.812,  10.915)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 19       ( -0.010,  -0.054,  -0.000)  ( -0.010,  -0.051,   0.000)  ( 0.00,  0.02,  0.00)
165:     bond    (  0.153,   1.775,  -0.001)  (  0.153,   1.779,  -0.001)  ( 0.00,  0.19,  0.00)
165:     angle   (  0.670,  -0.060,  -4.842)  (  0.670,  -0.060,  -4.841)  ( 0.03,  0.00,  0.01)
165:     strbnd  (  0.815,   0.040,  -1.119)  (  0.815,   0.040,  -1.119)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.405,   0.035,   0.864)  ( -0.405,   0.035,   0.864)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -1.243,  -1.845,   5.098)  ( -1.243,  -1.845,   5.098)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 20       ( -0.030,   0.008,  -0.000)  ( -0.027,   0.009,   0.001)  ( 0.01,  0.00,  0.00)
165:     bond    (  1.090,  -0.510,  -0.354)  (  1.093,  -0.510,  -0.354)  ( 0.24,  0.03,  0.01)
165:     angle   ( -1.149,   1.385,  -5.542)  ( -1.148,   1.385,  -5.542)  ( 0.01,  0.03,  0.01)
165:     strbnd  (  0.136,   1.058,  -0.892)  (  0.136,   1.058,  -0.892)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.156,  -0.327,  -0.012)  ( -0.156,  -0.327,  -0.012)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.048,  -1.599,   6.800)  (  0.048,  -1.599,   6.800)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 21       (  0.026,  -0.047,   0.017)  (  0.027,  -0.045,   0.018)  ( 0.00,  0.01,  0.00)
165:     bond    ( -1.201,   2.098,  -1.005)  ( -1.200,   2.100,  -1.004)  ( 0.06,  0.10,  0.05)
165:     angle   (  1.262,  -0.296,  -2.127)  (  1.262,  -0.296,  -2.126)  ( 0.04,  0.01,  0.02)
165:     strbnd  (  0.580,  -0.948,  -0.176)  (  0.580,  -0.948,  -0.176)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.425,  -0.185,   0.120)  ( -0.425,  -0.185,   0.120)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.190,  -0.716,   3.204)  ( -0.190,  -0.716,   3.204)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 22       ( -0.010,   0.005,   0.009)  ( -0.009,   0.007,   0.011)  ( 0.00,  0.00,  0.00)
165:     bond    (  1.021,  -1.244,  -1.972)  (  1.022,  -1.244,  -1.970)  ( 0.05,  0.07,  0.10)
165:     angle   (  0.097,   2.258,  -1.376)  (  0.097,   2.259,  -1.375)  ( 0.00,  0.02,  0.01)
165:     strbnd  ( -0.623,   0.860,   0.374)  ( -0.623,   0.860,   0.374)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.785,  -0.995,   0.221)  ( -0.785,  -0.995,   0.221)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.280,  -0.873,   2.761)  (  0.280,  -0.873,   2.761)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 23       ( -0.000,  -0.002,  -0.005)  (  0.003,  -0.001,  -0.004)  ( 0.00,  0.00,  0.00)
165:     bond    ( -2.170,   0.852,   0.493)  ( -2.167,   0.853,   0.494)  ( 0.13,  0.04,  0.01)
165:     angle   ( -2.709,  -4.551,  -4.037)  ( -2.709,  -4.550,  -4.036)  ( 0.00,  0.01,  0.01)
165:     strbnd  (  0.176,  -2.037,   0.838)  (  0.176,  -2.037,   0.838)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.238,   0.878,  -0.470)  (  0.238,   0.878,  -0.470)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  4.466,   4.856,   3.170)  (  4.466,   4.856,   3.170)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 24       ( -0.002,   0.009,  -0.015)  ( -0.001,   0.010,  -0.012)  ( 0.00,  0.00,  0.00)
165:     bond    (  0.707,   0.613,  -2.070)  (  0.707,   0.614,  -2.067)  ( 0.02,  0.02,  0.14)
165:     angle   ( -4.504,  -2.559,  -2.301)  ( -4.503,  -2.559,  -2.301)  ( 0.01,  0.02,  0.01)
165:     strbnd  (  0.695,  -2.064,   0.376)  (  0.695,  -2.064,   0.376)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.221,  -0.053,  -0.091)  ( -0.221,  -0.053,  -0.091)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  3.321,   4.072,   4.071)  (  3.321,   4.072,   4.071)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 25       ( -0.009,  -0.007,  -0.002)  ( -0.007,  -0.005,  -0.001)  ( 0.00,  0.00,  0.00)
165:     bond    ( -1.648,  -1.647,   1.112)  ( -1.647,  -1.646,   1.112)  ( 0.08,  0.08,  0.06)
165:     angle   (  1.712,  -2.113,  -0.592)  (  1.713,  -2.113,  -0.591)  ( 0.02,  0.01,  0.03)
165:     strbnd  (  0.745,   0.180,  -0.903)  (  0.745,   0.180,  -0.903)  ( 0.00,  0.00,  0.00)
165:     torsion ( -1.112,   0.821,  -0.431)  ( -1.112,   0.821,  -0.431)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.294,   2.752,   0.812)  (  0.294,   2.752,   0.812)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 26       ( -0.008,   0.000,   0.010)  ( -0.007,   0.001,   0.012)  ( 0.00,  0.00,  0.00)
165:     bond    (  1.332,  -1.438,  -1.930)  (  1.333,  -1.438,  -1.928)  ( 0.06,  0.06,  0.09)
165:     angle   ( -0.781,  -2.060,   0.995)  ( -0.781,  -2.059,   0.995)  ( 0.03,  0.02,  0.03)
165:     strbnd  ( -0.923,   0.023,   0.780)  ( -0.923,   0.023,   0.780)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.202,   0.234,  -0.314)  ( -0.202,   0.234,  -0.314)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.566,   3.241,   0.479)  (  0.566,   3.241,   0.479)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 27       (  0.005,  -0.016,   0.014)  (  0.006,  -0.015,   0.017)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.381,  -0.596,   1.972)  ( -0.381,  -0.596,   1.975)  ( 0.00,  0.02,  0.15)
165:     angle   ( -5.129,   2.087,  -0.360)  ( -5.128,   2.087,  -0.360)  ( 0.01,  0.02,  0.00)
165:     strbnd  ( -1.239,   1.214,   0.126)  ( -1.239,   1.214,   0.126)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.569,  -0.651,  -0.087)  (  0.569,  -0.651,  -0.087)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  6.185,  -2.069,  -1.637)  (  6.186,  -2.069,  -1.637)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 28       (  0.001,  -0.026,  -0.001)  (  0.001,  -0.023,   0.000)  ( 0.00,  0.01,  0.00)
165:     bond    (  0.029,   2.103,  -0.090)  (  0.029,   2.106,  -0.090)  ( 0.00,  0.16,  0.00)
165:     angle   ( -3.823,   0.096,   0.999)  ( -3.823,   0.096,   0.999)  ( 0.02,  0.00,  0.05)
165:     strbnd  ( -1.408,   0.111,   1.022)  ( -1.408,   0.111,   1.022)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.186,  -0.014,  -0.265)  (  0.186,  -0.014,  -0.265)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  5.016,  -2.322,  -1.666)  (  5.016,  -2.322,  -1.666)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  7       ( -2.162, -14.129, -24.316)  ( -2.161, -14.129, -24.314)  ( 0.04,  0.01,  0.01)
166:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
166:     angle   (  1.840,  -0.299,  -0.578)  (  1.840,  -0.299,  -0.578)  ( 0.02,  0.01,  0.01)
166:     strbnd  ( -1.909,   0.172,   0.297)  ( -1.909,   0.172,   0.297)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.133,   0.077)  (  0.000,  -0.133,   0.077)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  8       ( 27.568,  -1.841,  -1.569)  ( 27.570,  -1.840,  -1.569)  ( 0.01,  0.04,  0.04)
166:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
166:     angle   ( -0.000,  -1.856,  -0.010)  (  0.000,  -1.856,  -0.009)  ( 0.00,  0.03,  0.00)
166:     strbnd  (  0.304,   1.915,  -0.000)  (  0.304,   1.915,  -0.000)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,  -0.469)  (  0.000,   0.000,  -0.469)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  9       (-11.584,  11.851,  21.981)  (-11.583,  11.852,  21.983)  ( 0.01,  0.01,  0.01)
166:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
166:     angle   ( -0.885,  -1.619,   0.574)  ( -0.885,  -1.619,   0.574)  ( 0.03,  0.02,  0.01)
166:     strbnd  (  0.798,   1.743,  -0.296)  (  0.798,   1.743,  -0.296)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.382,   0.135,  -0.234)  ( -0.382,   0.135,  -0.234)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 10       (-10.930,   9.420, -22.678)  (-10.929,   9.421, -22.676)  ( 0.01,  0.01,  0.01)
166:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
166:     angle   ( -0.882,  -1.631,  -0.581)  ( -0.882,  -1.630,  -0.581)  ( 0.03,  0.02,  0.01)
166:     strbnd  (  0.799,   1.742,   0.299)  (  0.799,   1.742,   0.299)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.001,  -0.000,  -0.001)  (  0.001,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 11       ( 27.570,   2.262,   0.809)  ( 27.573,   2.263,   0.809)  ( 0.01,  0.03,  0.05)
166:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
166:     angle   (  0.001,   0.926,   1.618)  (  0.001,   0.926,   1.618)  ( 0.00,  0.04,  0.03)
166:     strbnd  (  0.305,  -0.958,  -1.660)  (  0.305,  -0.958,  -1.660)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,   0.407,  -0.235)  ( -0.000,   0.407,  -0.235)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 12       (-10.972,  14.917, -19.519)  (-10.971,  14.918, -19.517)  ( 0.01,  0.01,  0.01)
166:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
166:     angle   ( -0.889,   1.308,   1.118)  ( -0.889,   1.309,   1.119)  ( 0.03,  0.03,  0.02)
166:     strbnd  (  0.798,  -1.129,  -1.364)  (  0.798,  -1.129,  -1.364)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 13       (-11.601, -24.965,   0.763)  (-11.600, -24.963,   0.763)  ( 0.01,  0.01,  0.05)
166:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
166:     angle   ( -0.888,   0.315,   1.704)  ( -0.887,   0.315,   1.705)  ( 0.03,  0.00,  0.03)
166:     strbnd  (  0.799,  -0.614,  -1.659)  (  0.799,  -0.614,  -1.659)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.381,   0.135,  -0.233)  ( -0.381,   0.135,  -0.233)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: ok 10 # gradients 
166: ok 11 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
166:  1       (-94.849, 134.077, -232.261)  (-94.840, 134.085, -232.257)  ( 0.01,  0.01,  0.00)
166:     bond    (-98.615, 139.541, -241.698)  (-98.607, 139.548, -241.694)  ( 0.01,  0.01,  0.00)
166:     angle   (-17.077,  24.042, -41.606)  (-17.076,  24.043, -41.605)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( 20.845, -29.505,  51.044)  ( 20.845, -29.506,  51.044)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.002,  -0.001,  -0.002)  ( -0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  2       (267.229,   1.097,  -1.985)  (267.239,   1.101,  -1.981)  ( 0.00,  0.37,  0.20)
166:     bond    (324.092,   0.002,   0.003)  (324.102,   0.005,   0.006)  ( 0.00,  0.00,  0.00)
166:     angle   ( -7.067,  -9.049,  15.613)  ( -7.066,  -9.047,  15.614)  ( 0.02,  0.02,  0.01)
166:     strbnd  (-54.347,   8.796, -15.254)  (-54.349,   8.796, -15.255)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,   0.001,  -0.000)  (  0.000,   0.001,  -0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  3       (-92.994, -251.370,  -1.993)  (-92.989, -251.361,  -1.989)  ( 0.01,  0.00,  0.20)
166:     bond    (-108.221, -305.529,  -0.016)  (-108.218, -305.520,  -0.013)  ( 0.00,  0.00,  0.00)
166:     angle   ( 10.871,   3.619,  15.618)  ( 10.872,   3.621,  15.619)  ( 0.01,  0.04,  0.01)
166:     strbnd  (  9.840,  54.186, -15.254)  (  9.840,  54.184, -15.254)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.001,  -0.000,   0.003)  (  0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  4       (-92.879, 127.455, 216.653)  (-92.874, 127.461, 216.661)  ( 0.01,  0.00,  0.00)
166:     bond    (-107.982, 152.791, 264.561)  (-107.978, 152.795, 264.568)  ( 0.00,  0.00,  0.00)
166:     angle   ( 10.825, -15.317,   4.617)  ( 10.827, -15.315,   4.619)  ( 0.01,  0.01,  0.03)
166:     strbnd  (  9.798, -13.878, -54.515)  (  9.798, -13.878, -54.516)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  5       ( 14.020,  33.684,  -0.046)  ( 14.021,  33.686,  -0.046)  ( 0.01,  0.01,  0.00)
166:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
166:     angle   (  2.316,   0.820,  -0.007)  (  2.316,   0.820,  -0.006)  ( 0.02,  0.00,  0.00)
166:     strbnd  ( 13.869,   5.072,   0.000)  ( 13.869,   5.072,   0.000)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  6       (  7.090, -16.075,  27.884)  (  7.091, -16.074,  27.886)  ( 0.01,  0.01,  0.01)
166:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
166:     angle   (  2.371,  -0.399,   0.737)  (  2.371,  -0.398,   0.737)  ( 0.02,  0.01,  0.01)
166:     strbnd  ( 13.871,  -2.534,   4.389)  ( 13.871,  -2.534,   4.389)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  7       ( 14.159, -16.794, -29.238)  ( 14.160, -16.793, -29.236)  ( 0.01,  0.01,  0.01)
166:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
166:     angle   (  2.378,  -0.394,  -0.743)  (  2.378,  -0.394,  -0.742)  ( 0.02,  0.01,  0.01)
166:     strbnd  ( 13.873,  -2.530,  -4.384)  ( 13.873,  -2.530,  -4.384)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.001,   0.000)  (  0.000,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  8       ( 27.412, -19.113,  -1.101)  ( 27.414, -19.112,  -1.100)  ( 0.01,  0.00,  0.05)
166:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
166:     angle   ( -0.000,  -2.447,  -0.010)  (  0.000,  -2.447,  -0.009)  ( 0.00,  0.02,  0.00)
166:     strbnd  (  0.148, -14.767,  -0.000)  (  0.148, -14.767,  -0.000)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  9       (-19.291,  -2.738,  27.067)  (-19.291,  -2.737,  27.069)  ( 0.00,  0.04,  0.01)
166:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
166:     angle   ( -1.157,  -2.100,   0.740)  ( -1.157,  -2.099,   0.740)  ( 0.03,  0.02,  0.01)
166:     strbnd  ( -7.020, -12.229,   4.389)  ( -7.020, -12.229,   4.389)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 10       (-19.016,  -5.032, -27.526)  (-19.015,  -5.031, -27.524)  ( 0.00,  0.02,  0.01)
166:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
166:     angle   ( -1.152,  -2.108,  -0.747)  ( -1.152,  -2.107,  -0.746)  ( 0.03,  0.02,  0.01)
166:     strbnd  ( -7.016, -12.234,  -4.385)  ( -7.016, -12.234,  -4.385)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.001,  -0.000,  -0.000)  (  0.001,  -0.000,  -0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 11       ( 27.424,  10.493,  15.999)  ( 27.427,  10.494,  16.000)  ( 0.01,  0.01,  0.00)
166:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
166:     angle   (  0.001,   1.221,   2.128)  (  0.001,   1.221,   2.129)  ( 0.00,  0.03,  0.02)
166:     strbnd  (  0.159,   7.384,  12.785)  (  0.159,   7.384,  12.785)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 12       (-19.052,  26.348,  -9.424)  (-19.051,  26.349,  -9.422)  ( 0.00,  0.00,  0.02)
166:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
166:     angle   ( -1.160,   1.692,   1.451)  ( -1.160,   1.692,   1.451)  ( 0.03,  0.02,  0.01)
166:     strbnd  ( -7.010,   9.918,   8.398)  ( -7.010,   9.918,   8.398)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 13       (-19.294, -22.069,  15.940)  (-19.293, -22.066,  15.940)  ( 0.00,  0.01,  0.00)
166:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
166:     angle   ( -1.157,   0.410,   2.200)  ( -1.157,   0.410,   2.200)  ( 0.03,  0.00,  0.02)
166:     strbnd  ( -7.007,   2.322,  12.788)  ( -7.007,   2.322,  12.788)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.002,  -0.001,   0.001)  (  0.002,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: ok 12 # gradients 
166: ok 13 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
166:  1       (  0.188,  -0.341,  -0.447)  (  0.196,  -0.337,  -0.439)  ( 0.15,  0.15,  0.35)
166:     bond    ( 12.215,  -2.444,  -2.026)  ( 12.221,  -2.440,  -2.025)  ( 0.05,  0.20,  0.04)
166:     angle   (  1.031,   1.567,   0.419)  (  1.033,   1.568,   0.419)  ( 0.17,  0.09,  0.01)
166:     strbnd  ( -0.276,   0.595,   0.200)  ( -0.276,   0.595,   0.200)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.026,  -0.060,   0.134)  (  0.026,  -0.060,   0.135)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.003,   0.011,  -0.034)  ( -0.003,   0.009,  -0.028)  ( 0.00,  0.00,  0.02)
166:     vdw     (-13.301,   0.238,   1.219)  (-13.301,   0.238,   1.219)  ( 0.00,  0.00,  0.00)
166:     electro (  0.497,  -0.246,  -0.360)  (  0.497,  -0.246,  -0.360)  ( 0.00,  0.00,  0.00)
166:  2       (  0.154,  -0.533,   0.257)  (  0.159,  -0.515,   0.227)  ( 0.07,  0.95,  0.78)
166:     bond    (  8.668,  -9.202,  -3.657)  (  8.674,  -9.197,  -3.657)  ( 0.06,  0.06,  0.02)
166:     angle   (  1.060,  -2.236,  -0.846)  (  1.061,  -2.234,  -0.846)  ( 0.15,  0.07,  0.02)
166:     strbnd  ( -2.306,  -0.145,   0.209)  ( -2.306,  -0.145,   0.209)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.009,  -0.028,   0.128)  ( -0.009,  -0.028,   0.129)  ( 0.00,  0.00,  0.02)
166:     oop     (  0.014,  -0.067,   0.198)  (  0.012,  -0.056,   0.166)  ( 0.00,  0.08,  0.65)
166:     vdw     ( -6.352,  11.522,   4.701)  ( -6.352,  11.522,   4.701)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.922,  -0.376,  -0.475)  ( -0.922,  -0.376,  -0.475)  ( 0.00,  0.00,  0.00)
166:  3       ( -0.038,  -0.435,   0.232)  ( -0.028,  -0.444,   0.280)  ( 0.04,  0.40,  1.12)
166:     bond    ( -6.462, -14.039,  -4.598)  ( -6.457, -14.034,  -4.597)  ( 0.08,  0.04,  0.02)
166:     angle   (  4.729,   7.796,   2.474)  (  4.731,   7.798,   2.474)  ( 0.04,  0.02,  0.01)
166:     strbnd  (  3.737,  -3.706,  -1.522)  (  3.737,  -3.707,  -1.522)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.300,  -2.114,   5.663)  (  0.300,  -2.114,   5.664)  ( 0.00,  0.01,  0.02)
166:     oop     ( -0.022,   0.095,  -0.277)  ( -0.019,   0.079,  -0.231)  ( 0.01,  0.15,  1.28)
166:     vdw     ( -2.173,  13.069,   0.311)  ( -2.172,  13.069,   0.311)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.148,  -1.535,  -1.819)  ( -0.148,  -1.535,  -1.819)  ( 0.00,  0.00,  0.00)
166:  4       (  0.339,   2.335,  -1.508)  (  0.354,   2.156,  -1.322)  ( 0.49,  7.67, 12.33)
166:     bond    ( -4.734,   2.347,   1.095)  ( -4.729,   2.352,   1.096)  ( 0.11,  0.20,  0.07)
166:     angle   (-10.062,  -2.611,   4.140)  (-10.060,  -2.609,   4.140)  ( 0.02,  0.07,  0.01)
166:     strbnd  (  3.811,   0.602,   0.274)  (  3.811,   0.601,   0.274)  ( 0.00,  0.01,  0.00)
166:     torsion ( -0.109,   2.386,  -1.969)  ( -0.109,   2.387,  -1.968)  ( 0.00,  0.01,  0.06)
166:     oop     ( -0.042,   1.022,  -1.056)  ( -0.035,   0.836,  -0.873)  ( 0.03, 18.16, 17.37)
166:     vdw     (  9.138,  -2.304,  -5.262)  (  9.139,  -2.304,  -5.262)  ( 0.00,  0.00,  0.00)
166:     electro (  2.337,   0.892,   1.269)  (  2.337,   0.892,   1.269)  ( 0.00,  0.00,  0.00)
166:  5       (  0.329,  -0.092,  -0.786)  (  0.325,  -0.035,  -0.926)  ( 0.14,  0.53, 10.94)
166:     bond    ( -9.877,  12.321,   6.024)  ( -9.872,  12.326,   6.025)  ( 0.05,  0.04,  0.01)
166:     angle   (  0.777,  -3.545,  -1.191)  (  0.779,  -3.544,  -1.191)  ( 0.13,  0.04,  0.02)
166:     strbnd  (  3.218,   2.140,   0.609)  (  3.218,   2.140,   0.609)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.010,   0.739,  -2.169)  (  0.010,   0.739,  -2.168)  ( 0.00,  0.01,  0.06)
166:     oop     (  0.069,  -0.304,   0.854)  (  0.058,  -0.253,   0.713)  ( 0.08,  1.53, 12.07)
166:     vdw     (  4.433, -11.904,  -4.594)  (  4.433, -11.904,  -4.594)  ( 0.00,  0.00,  0.00)
166:     electro (  1.700,   0.460,  -0.319)  (  1.700,   0.460,  -0.319)  ( 0.00,  0.00,  0.00)
166:  6       (  0.290,   0.013,  -0.920)  (  0.298,   0.013,  -0.902)  ( 0.24,  0.00,  1.63)
166:     bond    ( 10.935,  11.123,   2.675)  ( 10.940,  11.128,   2.676)  ( 0.05,  0.04,  0.03)
166:     angle   ( -1.841,   0.246,   0.285)  ( -1.839,   0.247,   0.285)  ( 0.09,  0.04,  0.01)
166:     strbnd  ( -0.658,   0.437,   0.063)  ( -0.658,   0.437,   0.063)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.004,   0.151,  -0.129)  ( -0.004,   0.151,  -0.128)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.010,   0.040,  -0.102)  ( -0.008,   0.034,  -0.087)  ( 0.00,  0.03,  0.16)
166:     vdw     ( -7.809, -11.860,  -3.494)  ( -7.809, -11.860,  -3.494)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.323,  -0.125,  -0.217)  ( -0.323,  -0.125,  -0.217)  ( 0.00,  0.00,  0.00)
166:  7       ( -0.910,  -7.772,   3.404)  ( -0.861,  -7.502,   3.120)  ( 4.50,  3.48,  8.32)
166:     bond    ( -8.014,   7.203,  10.301)  ( -8.008,   7.206,  10.304)  ( 0.07,  0.04,  0.04)
166:     angle   ( 23.571,  -6.002, -12.520)  ( 23.573,  -6.000, -12.519)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( -5.963,   1.001,   0.741)  ( -5.964,   1.001,   0.741)  ( 0.01,  0.02,  0.02)
166:     torsion ( -2.513, -12.758,   5.361)  ( -2.513, -12.757,   5.361)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.329,  -1.737,   1.929)  ( -0.287,  -1.471,   1.641)  ( 1.39, 15.28, 14.93)
166:     vdw     ( -1.708,   5.497,  -2.750)  ( -1.708,   5.497,  -2.750)  ( 0.01,  0.00,  0.00)
166:     electro ( -5.954,  -0.978,   0.342)  ( -5.954,  -0.978,   0.342)  ( 0.00,  0.00,  0.00)
166:  8       ( -2.017,   6.847,   8.194)  ( -2.033,   7.367,   8.078)  ( 0.77,  7.59,  1.41)
166:     bond    (  7.906,   3.155,   6.283)  (  7.911,   3.158,   6.291)  ( 0.07,  0.08,  0.13)
166:     angle   (-11.927,  11.968,  23.696)  (-11.925,  11.969,  23.697)  ( 0.02,  0.01,  0.01)
166:     strbnd  ( -0.172,  -3.227,  -7.634)  ( -0.173,  -3.227,  -7.635)  ( 0.02,  0.01,  0.01)
166:     torsion ( -1.720,   6.773, -17.821)  ( -1.720,   6.773, -17.821)  ( 0.00,  0.01,  0.00)
166:     oop     (  0.204,  -2.932,   0.925)  (  0.181,  -2.416,   0.801)  ( 0.45, 17.59, 11.54)
166:     vdw     (  4.239,  -5.387,   2.000)  (  4.239,  -5.387,   2.000)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.546,  -3.502,   0.745)  ( -0.546,  -3.502,   0.745)  ( 0.00,  0.00,  0.00)
166:  9       (  2.585,  -3.819,  -7.637)  (  2.601,  -4.100,  -7.475)  ( 0.65,  7.38,  2.13)
166:     bond    (  6.677,  -9.432, -17.814)  (  6.678,  -9.430, -17.808)  ( 0.01,  0.02,  0.03)
166:     angle   ( -3.223,  -0.345,  -1.026)  ( -3.222,  -0.345,  -1.026)  ( 0.03,  0.00,  0.01)
166:     strbnd  ( -3.032,   4.056,   7.810)  ( -3.032,   4.056,   7.810)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.307,   6.030,  -3.308)  ( -0.307,   6.030,  -3.308)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.071,   1.455,  -0.797)  ( -0.056,   1.171,  -0.641)  ( 0.11, 19.52, 12.44)
166:     vdw     (  7.280,  -5.048,  11.866)  (  7.280,  -5.048,  11.866)  ( 0.00,  0.00,  0.00)
166:     electro ( -4.739,  -0.534,  -4.368)  ( -4.739,  -0.534,  -4.368)  ( 0.00,  0.00,  0.00)
166: 10       (  1.000,  -0.547,  -0.386)  (  0.966,  -0.774,  -0.726)  ( 3.43, 12.41, 13.13)
166:     bond    (  9.695,  23.920,  -3.884)  (  9.701,  23.924,  -3.884)  ( 0.06,  0.02,  0.01)
166:     angle   (-15.143, -13.685, -10.389)  (-15.141, -13.683, -10.388)  ( 0.01,  0.01,  0.01)
166:     strbnd  (  1.542, -11.914,   0.169)  (  1.542, -11.915,   0.169)  ( 0.03,  0.01,  0.00)
166:     torsion (  1.960,  -0.605,  10.880)  (  1.960,  -0.605,  10.881)  ( 0.00,  0.01,  0.01)
166:     oop     (  0.202,   1.528,   1.715)  (  0.161,   1.295,   1.373)  ( 0.83, 15.24, 19.96)
166:     vdw     (  3.415,   0.682,   1.760)  (  3.415,   0.682,   1.760)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.671,  -0.472,  -0.637)  ( -0.671,  -0.472,  -0.637)  ( 0.00,  0.00,  0.00)
166: 11       ( -0.171,  -0.241,  -0.542)  ( -0.163,  -0.080,   0.005)  ( 0.12,  3.88, 29.65)
166:     bond    (-13.094,  -5.115,  -0.788)  (-13.089,  -5.111,  -0.787)  ( 0.04,  0.09,  0.05)
166:     angle   ( -2.503,   4.242,  11.159)  ( -2.501,   4.244,  11.160)  ( 0.09,  0.05,  0.00)
166:     strbnd  ( 10.155,   7.918,  -0.812)  ( 10.154,   7.917,  -0.812)  ( 0.01,  0.01,  0.01)
166:     torsion (  1.046,  -1.903,  -2.449)  (  1.046,  -1.903,  -2.448)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.039,  -0.779,  -2.945)  ( -0.038,  -0.624,  -2.400)  ( 0.00, 12.08, 18.52)
166:     vdw     ( -0.018,  -4.278,  -1.767)  ( -0.018,  -4.278,  -1.767)  ( 0.00,  0.00,  0.00)
166:     electro (  4.282,  -0.325,  -2.941)  (  4.282,  -0.325,  -2.941)  ( 0.00,  0.00,  0.00)
166: 12       (  0.049,  -0.113,  -0.121)  (  0.055,  -0.145,  -0.246)  ( 0.03,  0.36,  1.51)
166:     bond    ( -6.964,  10.847,  -2.041)  ( -6.957,  10.853,  -2.041)  ( 0.09,  0.05,  0.02)
166:     angle   (  3.466, -18.735,   1.444)  (  3.468, -18.732,   1.444)  ( 0.06,  0.01,  0.03)
166:     strbnd  (  5.241,  10.045,  -1.635)  (  5.240,  10.043,  -1.635)  ( 0.02,  0.01,  0.00)
166:     torsion ( -0.277,  -0.199,   0.243)  ( -0.277,  -0.199,   0.244)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.002,   0.243,   0.879)  ( -0.003,   0.205,   0.753)  ( 0.00,  0.94, 11.08)
166:     vdw     ( -1.680,  -2.461,   0.754)  ( -1.680,  -2.461,   0.754)  ( 0.00,  0.00,  0.00)
166:     electro (  0.266,   0.147,   0.236)  (  0.266,   0.147,   0.236)  ( 0.00,  0.00,  0.00)
166: 13       ( -1.916,   4.711,  -0.986)  ( -1.911,   4.727,  -0.929)  ( 0.21,  0.35,  5.65)
166:     bond    ( -0.615,   7.046,  -1.142)  ( -0.607,   7.052,  -1.141)  ( 0.46,  0.08,  0.02)
166:     angle   (  9.671,  -9.830,   1.897)  (  9.673,  -9.828,   1.897)  ( 0.02,  0.02,  0.00)
166:     strbnd  (  1.450,  -2.787,   0.428)  (  1.450,  -2.788,   0.428)  ( 0.05,  0.05,  0.00)
166:     torsion ( -0.027,   0.521,  -1.869)  ( -0.027,   0.521,  -1.868)  ( 0.00,  0.00,  0.05)
166:     oop     (  0.024,  -0.050,  -0.214)  (  0.019,  -0.041,  -0.158)  ( 0.01,  0.05,  1.20)
166:     vdw     (-11.109,   9.890,   1.556)  (-11.109,   9.890,   1.556)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.309,  -0.078,  -1.642)  ( -1.309,  -0.078,  -1.642)  ( 0.00,  0.00,  0.00)
166: 14       (  6.713,  -5.411,   0.328)  (  6.722,  -5.394,   0.357)  ( 0.13,  0.31,  0.96)
166:     bond    (-12.462, -21.961,   0.624)  (-12.457, -21.955,   0.624)  ( 0.04,  0.02,  0.01)
166:     angle   ( 21.478,  16.756,  -1.059)  ( 21.481,  16.758,  -1.059)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -5.263,  -1.582,  -0.270)  ( -5.263,  -1.582,  -0.270)  ( 0.01,  0.03,  0.00)
166:     torsion ( -0.035,  -0.626,   1.222)  ( -0.035,  -0.626,   1.223)  ( 0.00,  0.00,  0.11)
166:     oop     (  0.004,  -0.049,  -0.081)  (  0.005,  -0.039,  -0.053)  ( 0.00,  0.05,  0.23)
166:     vdw     (  2.604,   2.443,   0.387)  (  2.604,   2.443,   0.387)  ( 0.00,  0.00,  0.00)
166:     electro (  0.386,  -0.392,  -0.495)  (  0.386,  -0.392,  -0.495)  ( 0.00,  0.00,  0.00)
166: 15       ( -5.129,   0.613,  -0.625)  ( -5.079,   0.616,  -0.328)  ( 0.97,  0.16, 18.57)
166:     bond    ( 11.061,   5.919,  -3.067)  ( 11.066,   5.923,  -3.067)  ( 0.04,  0.08,  0.01)
166:     angle   (-12.299, -15.141,  -0.481)  (-12.297, -15.140,  -0.481)  ( 0.02,  0.01,  0.00)
166:     strbnd  ( -3.290,   0.620,   0.718)  ( -3.290,   0.620,   0.718)  ( 0.00,  0.01,  0.00)
166:     torsion ( -0.712,  -0.073,   3.004)  ( -0.712,  -0.073,   3.005)  ( 0.00,  0.00,  0.05)
166:     oop     ( -0.261,   0.034,  -1.913)  ( -0.218,   0.030,  -1.617)  ( 1.11,  0.01, 15.44)
166:     vdw     (  0.370,   9.262,   0.830)  (  0.370,   9.262,   0.830)  ( 0.00,  0.00,  0.00)
166:     electro (  0.002,  -0.007,   0.283)  (  0.002,  -0.007,   0.283)  ( 0.00,  0.00,  0.00)
166: 16       ( -0.296,   0.185,   0.933)  ( -0.303,   0.195,   0.800)  ( 0.21,  0.19, 12.45)
166:     bond    ( 14.452, -16.403,  -3.890)  ( 14.458, -16.398,  -3.890)  ( 0.04,  0.03,  0.01)
166:     angle   (-10.953,   5.321,   1.176)  (-10.951,   5.322,   1.176)  ( 0.02,  0.03,  0.00)
166:     strbnd  (  6.693,   8.480,  -0.639)  (  6.693,   8.479,  -0.639)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.233,  -0.130,   1.677)  (  0.233,  -0.130,   1.679)  ( 0.00,  0.00,  0.08)
166:     oop     (  0.089,  -0.027,   0.816)  (  0.074,  -0.024,   0.681)  ( 0.13,  0.01, 11.01)
166:     vdw     (-10.495,   2.954,   2.887)  (-10.495,   2.954,   2.887)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.314,  -0.010,  -1.094)  ( -0.314,  -0.010,  -1.094)  ( 0.00,  0.00,  0.00)
166: 17       ( -0.587,   0.280,   1.052)  ( -0.579,   0.286,   1.057)  ( 0.46,  0.17,  0.47)
166:     bond    ( 11.943,  13.623,   0.244)  ( 11.949,  13.628,   0.244)  ( 0.05,  0.04,  0.01)
166:     angle   (  1.276,  -3.469,  -0.726)  (  1.277,  -3.467,  -0.726)  ( 0.13,  0.05,  0.00)
166:     strbnd  (  0.726,  -3.329,  -0.300)  (  0.726,  -3.330,  -0.300)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.227,  -0.156,   1.421)  (  0.227,  -0.156,   1.422)  ( 0.00,  0.00,  0.09)
166:     oop     ( -0.004,   0.002,  -0.021)  ( -0.003,   0.002,  -0.018)  ( 0.00,  0.00,  0.01)
166:     vdw     (-14.498,  -6.002,   0.935)  (-14.498,  -6.002,   0.935)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.257,  -0.389,  -0.500)  ( -0.257,  -0.389,  -0.500)  ( 0.00,  0.00,  0.00)
166: 18       ( -0.846,  -0.010,   0.550)  ( -0.842,   0.000,   0.524)  ( 0.36,  0.01,  1.42)
166:     bond    ( -3.720,  10.016,   1.464)  ( -3.714,  10.021,   1.464)  ( 0.15,  0.06,  0.01)
166:     angle   (  3.372,   1.996,  -0.096)  (  3.374,   1.998,  -0.096)  ( 0.05,  0.09,  0.00)
166:     strbnd  (  1.201,  -0.848,  -0.145)  (  1.201,  -0.848,  -0.145)  ( 0.02,  0.01,  0.00)
166:     torsion (  0.005,  -0.001,   0.213)  (  0.005,  -0.001,   0.214)  ( 0.00,  0.00,  0.03)
166:     oop     (  0.015,  -0.016,   0.164)  (  0.013,  -0.013,   0.137)  ( 0.00,  0.00,  0.45)
166:     vdw     ( -1.486, -11.784,  -0.891)  ( -1.486, -11.784,  -0.891)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.234,   0.627,  -0.159)  ( -0.234,   0.627,  -0.159)  ( 0.00,  0.00,  0.00)
166: 19       ( -0.802,  -0.231,  -0.241)  ( -0.792,  -0.227,  -0.209)  ( 0.79,  0.10,  0.77)
166:     bond    ( -3.439,  12.608,   1.190)  ( -3.434,  12.614,   1.190)  ( 0.17,  0.04,  0.02)
166:     angle   ( -7.033,   2.531,   1.010)  ( -7.031,   2.533,   1.010)  ( 0.02,  0.06,  0.01)
166:     strbnd  ( -0.939,  -6.205,  -0.494)  ( -0.939,  -6.206,  -0.494)  ( 0.02,  0.00,  0.00)
166:     torsion (  0.083,  -0.036,   0.405)  (  0.083,  -0.036,   0.406)  ( 0.00,  0.00,  0.05)
166:     oop     ( -0.015,   0.016,  -0.180)  ( -0.012,   0.013,  -0.149)  ( 0.00,  0.00,  0.55)
166:     vdw     ( 11.128,  -8.501,  -1.965)  ( 11.128,  -8.501,  -1.965)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.587,  -0.644,  -0.207)  ( -0.587,  -0.644,  -0.207)  ( 0.00,  0.00,  0.00)
166: 20       ( -0.443,  -0.226,  -0.393)  ( -0.448,  -0.219,  -0.464)  ( 0.20,  0.16,  2.79)
166:     bond    (-23.028,   1.536,   2.475)  (-23.023,   1.541,   2.475)  ( 0.02,  0.33,  0.01)
166:     angle   ( 15.846,  -1.882,  -2.254)  ( 15.848,  -1.881,  -2.254)  ( 0.01,  0.09,  0.00)
166:     strbnd  ( -4.096,   7.781,   0.817)  ( -4.097,   7.781,   0.817)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.129,   0.136,   0.405)  (  0.129,   0.136,   0.407)  ( 0.00,  0.00,  0.05)
166:     oop     (  0.078,  -0.007,   0.518)  (  0.066,  -0.007,   0.445)  ( 0.09,  0.00,  3.76)
166:     vdw     ( 11.264,  -7.207,  -2.094)  ( 11.264,  -7.207,  -2.094)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.635,  -0.582,  -0.260)  ( -0.635,  -0.582,  -0.260)  ( 0.00,  0.00,  0.00)
166: 21       (  0.070,   0.058,   0.371)  (  0.080,  -0.012,   0.135)  ( 0.07,  0.40,  8.76)
166:     bond    (  7.503, -21.569,  13.282)  (  7.507, -21.565,  13.286)  ( 0.05,  0.02,  0.03)
166:     angle   ( -8.074,  14.944, -23.421)  ( -8.072,  14.947, -23.419)  ( 0.03,  0.01,  0.01)
166:     strbnd  (  2.250,   2.780,   1.796)  (  2.249,   2.779,   1.795)  ( 0.04,  0.04,  0.03)
166:     torsion ( -0.293,   1.133,   8.011)  ( -0.293,   1.133,   8.011)  ( 0.00,  0.01,  0.00)
166:     oop     ( -0.019,   0.274,   0.893)  ( -0.014,   0.200,   0.651)  ( 0.01,  2.04, 21.55)
166:     vdw     ( -0.617,   2.348,  -0.996)  ( -0.617,   2.348,  -0.996)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.681,   0.147,   0.808)  ( -0.681,   0.147,   0.808)  ( 0.00,  0.00,  0.00)
166: 22       (  0.335,  -0.174,   0.517)  (  0.341,  -0.168,   0.522)  ( 0.18,  0.10,  0.29)
166:     bond    ( 10.845,  -2.778,  -8.094)  ( 10.850,  -2.774,  -8.090)  ( 0.04,  0.15,  0.05)
166:     angle   ( -9.008,  -1.801,   6.507)  ( -9.006,  -1.799,   6.508)  ( 0.02,  0.10,  0.03)
166:     strbnd  (  0.507,  -2.141,   2.316)  (  0.507,  -2.141,   2.315)  ( 0.04,  0.02,  0.03)
166:     torsion (  0.379,   2.149,  -1.075)  (  0.379,   2.149,  -1.075)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.389,   4.398,   0.864)  ( -2.389,   4.398,   0.864)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 23       ( -0.056,  -0.173,  -0.298)  ( -0.051,  -0.167,  -0.292)  ( 0.03,  0.09,  0.18)
166:     bond    ( -9.863,  -5.250,   2.250)  ( -9.858,  -5.246,   2.255)  ( 0.04,  0.08,  0.21)
166:     angle   ( 12.507,   0.572,   0.600)  ( 12.509,   0.573,   0.602)  ( 0.02,  0.10,  0.10)
166:     strbnd  (  0.608,  -3.802,   1.723)  (  0.607,  -3.803,   1.722)  ( 0.05,  0.02,  0.03)
166:     torsion ( -1.338,   1.223,  -0.733)  ( -1.338,   1.223,  -0.733)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.970,   7.085,  -4.139)  ( -1.970,   7.085,  -4.139)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 24       (  0.006,  -0.005,   0.058)  (  0.012,   0.000,   0.060)  ( 0.00,  0.00,  0.02)
166:     bond    ( -0.866, -18.509,   3.882)  ( -0.862, -18.505,   3.887)  ( 0.40,  0.02,  0.12)
166:     angle   (  5.959,  26.024,  -8.109)  (  5.962,  26.026,  -8.108)  ( 0.04,  0.01,  0.02)
166:     strbnd  (-10.525,  -2.634,   0.562)  (-10.527,  -2.635,   0.562)  ( 0.02,  0.03,  0.02)
166:     torsion ( -0.876,  -1.089,   1.253)  ( -0.876,  -1.089,   1.253)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.001,   0.002,   0.014)  ( -0.000,   0.002,   0.010)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.349,  -4.597,   0.926)  (  2.349,  -4.597,   0.926)  ( 0.01,  0.00,  0.00)
166:     electro (  3.966,   0.797,   1.529)  (  3.966,   0.797,   1.529)  ( 0.00,  0.00,  0.00)
166: 25       ( -0.014,  -0.101,  -0.165)  ( -0.009,  -0.095,  -0.159)  ( 0.01,  0.06,  0.10)
166:     bond    ( -3.870,  12.275,  -0.924)  ( -3.866,  12.279,  -0.920)  ( 0.10,  0.03,  0.41)
166:     angle   ( -5.572, -18.333,   5.423)  ( -5.570, -18.330,   5.425)  ( 0.04,  0.01,  0.03)
166:     strbnd  ( -1.114,  -2.631,  -0.165)  ( -1.115,  -2.631,  -0.166)  ( 0.10,  0.02,  0.00)
166:     torsion (  3.318,  -0.490,  -3.647)  (  3.318,  -0.490,  -3.647)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  7.225,   9.078,  -0.852)  (  7.225,   9.078,  -0.852)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 26       ( -0.228,   0.018,   0.143)  ( -0.223,   0.024,   0.149)  ( 0.11,  0.01,  0.08)
166:     bond    (  4.426, -15.861,  -0.954)  (  4.429, -15.857,  -0.949)  ( 0.08,  0.03,  0.45)
166:     angle   ( -8.266,  12.873,  -7.689)  ( -8.264,  12.875,  -7.687)  ( 0.02,  0.02,  0.03)
166:     strbnd  (  1.193,   5.294,   4.137)  (  1.192,   5.293,   4.136)  ( 0.07,  0.01,  0.03)
166:     torsion ( -0.164,  -0.701,   3.652)  ( -0.164,  -0.701,   3.652)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.542,  -1.377,   0.272)  ( -0.542,  -1.377,   0.272)  ( 0.01,  0.00,  0.00)
166:     electro (  3.125,  -0.209,   0.725)  (  3.125,  -0.209,   0.725)  ( 0.00,  0.00,  0.00)
166: 27       ( -0.131,   0.200,   0.315)  ( -0.126,   0.205,   0.322)  ( 0.06,  0.11,  0.19)
166:     bond    ( -1.243,  14.723,   1.076)  ( -1.239,  14.727,   1.080)  ( 0.30,  0.03,  0.41)
166:     angle   ( -2.830, -11.271,   1.923)  ( -2.828, -11.269,   1.924)  ( 0.07,  0.02,  0.10)
166:     strbnd  (  1.105,  -0.095,   0.631)  (  1.104,  -0.095,   0.630)  ( 0.10,  0.01,  0.02)
166:     torsion (  1.263,  -4.544,  -4.977)  (  1.263,  -4.544,  -4.977)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.574,   1.387,   1.663)  (  1.574,   1.387,   1.663)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 28       ( -0.164,   0.308,   0.056)  ( -0.159,   0.314,   0.060)  ( 0.08,  0.19,  0.03)
166:     bond    ( -2.953, -11.140,   2.764)  ( -2.949, -11.136,   2.768)  ( 0.12,  0.04,  0.15)
166:     angle   ( -6.707,  11.635,   3.591)  ( -6.705,  11.637,   3.594)  ( 0.03,  0.02,  0.06)
166:     strbnd  (  1.933,  -1.383,  -4.721)  (  1.932,  -1.383,  -4.722)  ( 0.05,  0.02,  0.03)
166:     torsion ( -0.767,   1.045,   0.680)  ( -0.767,   1.045,   0.680)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.685,  -1.579,   0.134)  ( -1.684,  -1.579,   0.134)  ( 0.01,  0.00,  0.00)
166:     electro ( 10.015,   1.730,  -2.393)  ( 10.015,   1.730,  -2.393)  ( 0.00,  0.00,  0.00)
166: 29       ( -0.089,   0.132,  -0.028)  ( -0.179,   0.268,   0.043)  ( 0.80,  1.80,  0.20)
166:     bond    ( -3.268,   7.249,   5.605)  ( -3.264,   7.254,   5.609)  ( 0.11,  0.06,  0.08)
166:     angle   (  1.228,  -5.262,  -5.708)  (  1.229,  -5.261,  -5.706)  ( 0.14,  0.03,  0.04)
166:     strbnd  ( -1.075,   1.910,   2.578)  ( -1.075,   1.910,   2.578)  ( 0.06,  0.02,  0.02)
166:     torsion ( -1.983,  -2.819,  -0.108)  ( -1.983,  -2.819,  -0.108)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.919,  -1.262,  -0.629)  (  0.825,  -1.132,  -0.564)  ( 8.72, 10.33,  4.10)
166:     vdw     (  3.898,  -0.356,  -3.193)  (  3.898,  -0.356,  -3.193)  ( 0.00,  0.00,  0.00)
166:     electro (  0.191,   0.672,   1.426)  (  0.191,   0.672,   1.426)  ( 0.00,  0.00,  0.00)
166: 30       ( -1.041,   1.402,   0.516)  ( -0.321,   0.483,   0.053)  (69.21, 65.53, 23.86)
166:     bond    ( -1.273,  -3.810,   6.037)  ( -1.269,  -3.807,   6.047)  ( 0.30,  0.07,  0.16)
166:     angle   (  1.224,   1.913,   5.350)  (  1.225,   1.914,   5.352)  ( 0.15,  0.07,  0.03)
166:     strbnd  ( -1.468,   0.550,  -3.069)  ( -1.469,   0.549,  -3.071)  ( 0.07,  0.04,  0.07)
166:     torsion ( -0.091,   0.173,   0.599)  ( -0.091,   0.173,   0.599)  ( 0.00,  0.00,  0.00)
166:     oop     ( -3.638,   4.815,   2.435)  ( -2.922,   3.893,   1.963)  (19.69, 19.15, 19.39)
166:     vdw     (  6.948,  -1.148,  -6.767)  (  6.948,  -1.148,  -6.767)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.744,  -1.090,  -4.069)  ( -2.744,  -1.090,  -4.069)  ( 0.00,  0.00,  0.00)
166: 31       (  0.881,  -1.368,  -1.069)  (  0.567,  -0.962,  -0.854)  (27.76, 29.71, 20.14)
166:     bond    (  0.058,   0.328,  -0.551)  (  0.058,   0.330,  -0.546)  ( 0.00,  0.06,  0.28)
166:     angle   ( -2.127,  -1.116,  -0.901)  ( -2.127,  -1.116,  -0.901)  ( 0.03,  0.02,  0.01)
166:     strbnd  ( -0.372,  -0.811,   1.064)  ( -0.372,  -0.811,   1.064)  ( 0.00,  0.01,  0.01)
166:     torsion (  0.357,  -0.491,  -0.258)  (  0.357,  -0.491,  -0.258)  ( 0.00,  0.00,  0.00)
166:     oop     (  1.362,  -1.784,  -0.930)  (  1.047,  -1.380,  -0.720)  (23.18, 22.66, 19.55)
166:     vdw     (  3.653,   3.015,  -1.101)  (  3.653,   3.015,  -1.101)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.050,  -0.510,   1.609)  ( -2.050,  -0.510,   1.609)  ( 0.00,  0.00,  0.00)
166: 32       ( -0.790,   1.265,   0.167)  ( -1.091,   1.654,   0.369)  (23.83, 30.79,  3.37)
166:     bond    ( -3.495,  -0.110,  -5.185)  ( -3.493,  -0.110,  -5.181)  ( 0.06,  0.00,  0.09)
166:     angle   (  0.338,   0.315,  -0.235)  (  0.339,   0.316,  -0.235)  ( 0.01,  0.02,  0.00)
166:     strbnd  (  0.426,  -0.497,   1.754)  (  0.426,  -0.497,   1.754)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.160,   0.219,   0.103)  ( -0.160,   0.219,   0.103)  ( 0.00,  0.00,  0.00)
166:     oop     (  1.355,  -1.770,  -0.876)  (  1.050,  -1.382,  -0.679)  (22.48, 21.97, 17.28)
166:     vdw     (  8.930,   2.395,  -1.527)  (  8.930,   2.395,  -1.527)  ( 0.00,  0.00,  0.00)
166:     electro ( -8.183,   0.713,   6.132)  ( -8.183,   0.713,   6.132)  ( 0.00,  0.00,  0.00)
166: 33       ( -0.924,   0.360,  -0.139)  ( -0.923,   0.367,  -0.135)  ( 0.06,  0.24,  0.05)
166:     bond    ( -0.019,  -1.678,  -1.610)  ( -0.019,  -1.671,  -1.608)  ( 0.00,  0.37,  0.18)
166:     angle   (  8.749,  -2.680,   5.549)  (  8.750,  -2.680,   5.550)  ( 0.01,  0.01,  0.02)
166:     strbnd  (  0.282,  -2.395,  -3.567)  (  0.282,  -2.395,  -3.567)  ( 0.00,  0.00,  0.01)
166:     torsion ( -0.756,   0.926,  -0.619)  ( -0.756,   0.926,  -0.619)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.059,   4.362,   2.702)  (  2.059,   4.362,   2.702)  ( 0.01,  0.00,  0.00)
166:     electro (-11.239,   1.825,  -2.594)  (-11.239,   1.825,  -2.594)  ( 0.00,  0.00,  0.00)
166: 34       (  0.039,   0.551,   0.057)  (  0.045,   0.552,   0.061)  ( 0.02,  0.04,  0.02)
166:     bond    ( 13.740,   3.045, -11.264)  ( 13.745,   3.046, -11.261)  ( 0.04,  0.01,  0.03)
166:     angle   (  3.434,  -0.862,  -3.531)  (  3.435,  -0.861,  -3.530)  ( 0.02,  0.04,  0.03)
166:     strbnd  ( -0.868,  -0.657,   2.046)  ( -0.868,  -0.658,   2.046)  ( 0.01,  0.00,  0.02)
166:     torsion ( -0.397,   0.278,   0.129)  ( -0.397,   0.278,   0.129)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.894,   2.781,   6.709)  ( -1.894,   2.781,   6.709)  ( 0.01,  0.00,  0.00)
166:     electro (-13.976,  -4.035,   5.969)  (-13.976,  -4.035,   5.969)  ( 0.00,  0.00,  0.00)
166: 35       (  0.215,  -0.454,  -0.523)  (  0.219,  -0.455,  -0.518)  ( 0.09,  0.03,  0.24)
166:     bond    (  2.204,  -0.030,  -0.236)  (  2.207,  -0.030,  -0.236)  ( 0.17,  0.00,  0.00)
166:     angle   ( -0.031,  -0.619,  -0.215)  ( -0.031,  -0.619,  -0.215)  ( 0.00,  0.04,  0.00)
166:     strbnd  ( -0.630,  -0.117,   0.028)  ( -0.630,  -0.117,   0.028)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.041,   0.142,  -0.401)  ( -0.041,   0.142,  -0.401)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.003,   0.009,  -0.025)  ( -0.002,   0.007,  -0.021)  ( 0.00,  0.00,  0.01)
166:     vdw     ( -0.755,   0.010,   0.078)  ( -0.755,   0.010,   0.078)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.529,   0.151,   0.248)  ( -0.529,   0.151,   0.248)  ( 0.00,  0.00,  0.00)
166: 36       (  0.007,  -0.633,   0.684)  (  0.009,  -0.633,   0.694)  ( 0.00,  0.02,  0.66)
166:     bond    (  1.008,  -1.858,  -0.711)  (  1.009,  -1.855,  -0.710)  ( 0.08,  0.14,  0.03)
166:     angle   ( -0.810,  -0.409,  -0.083)  ( -0.810,  -0.408,  -0.083)  ( 0.04,  0.01,  0.00)
166:     strbnd  ( -0.164,   0.654,   0.244)  ( -0.164,   0.654,   0.244)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.047,  -0.195,   0.576)  (  0.047,  -0.195,   0.577)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.004,   0.018,  -0.054)  ( -0.003,   0.015,  -0.045)  ( 0.00,  0.01,  0.05)
166:     vdw     ( -0.412,   0.629,   0.244)  ( -0.412,   0.629,   0.244)  ( 0.00,  0.00,  0.00)
166:     electro (  0.342,   0.528,   0.467)  (  0.342,   0.528,   0.467)  ( 0.00,  0.00,  0.00)
166: 37       (  0.096,  -0.359,   0.906)  (  0.097,  -0.351,   0.890)  ( 0.00,  0.30,  1.47)
166:     bond    ( -1.065,  -1.705,  -0.491)  ( -1.064,  -1.702,  -0.491)  ( 0.09,  0.15,  0.01)
166:     angle   (  2.772,  -1.525,  -0.719)  (  2.772,  -1.525,  -0.719)  ( 0.02,  0.01,  0.00)
166:     strbnd  (  0.823,   1.075,   0.277)  (  0.823,   1.075,   0.277)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.096,  -0.361,   1.046)  (  0.096,  -0.361,   1.046)  ( 0.00,  0.00,  0.03)
166:     oop     (  0.009,  -0.035,   0.104)  (  0.007,  -0.030,   0.087)  ( 0.00,  0.02,  0.17)
166:     vdw     ( -4.611,   3.272,  -0.769)  ( -4.611,   3.272,  -0.769)  ( 0.00,  0.00,  0.00)
166:     electro (  2.074,  -1.079,   1.460)  (  2.074,  -1.079,   1.460)  ( 0.00,  0.00,  0.00)
166: 38       (  0.416,   0.331,  -1.341)  (  0.421,   0.315,  -1.283)  ( 0.22,  0.54,  4.33)
166:     bond    ( -0.610,   1.154,   0.431)  ( -0.609,   1.156,   0.432)  ( 0.05,  0.23,  0.02)
166:     angle   (  2.171,   1.091,   0.140)  (  2.172,   1.091,   0.140)  ( 0.03,  0.01,  0.00)
166:     strbnd  (  0.292,  -0.874,  -0.249)  (  0.292,  -0.874,  -0.249)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.070,   0.364,  -1.074)  ( -0.070,   0.364,  -1.074)  ( 0.00,  0.00,  0.03)
166:     oop     ( -0.025,   0.116,  -0.346)  ( -0.021,   0.097,  -0.289)  ( 0.01,  0.22,  1.99)
166:     vdw     ( -0.968,  -2.087,  -0.646)  ( -0.967,  -2.087,  -0.646)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.374,   0.569,   0.403)  ( -0.374,   0.569,   0.403)  ( 0.00,  0.00,  0.00)
166: 39       (  0.380,   0.037,  -1.541)  (  0.383,   0.036,  -1.529)  ( 0.11,  0.00,  0.79)
166:     bond    (  1.161,   1.766,   0.453)  (  1.162,   1.769,   0.453)  ( 0.09,  0.14,  0.01)
166:     angle   (  0.496,  -0.284,  -0.165)  (  0.497,  -0.284,  -0.165)  ( 0.02,  0.00,  0.00)
166:     strbnd  ( -0.428,  -0.962,  -0.256)  ( -0.428,  -0.962,  -0.256)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.154,   0.452,  -1.372)  ( -0.154,   0.452,  -1.372)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.008,   0.023,  -0.071)  ( -0.007,   0.019,  -0.059)  ( 0.00,  0.01,  0.08)
166:     vdw     ( -0.423,  -0.628,  -0.165)  ( -0.423,  -0.628,  -0.165)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.264,  -0.330,   0.035)  ( -0.264,  -0.330,   0.035)  ( 0.00,  0.00,  0.00)
166: 40       (  0.267,   2.896,  -2.083)  (  0.251,   2.749,  -1.926)  ( 0.44,  5.06,  7.51)
166:     bond    (  1.250,  -2.067,  -1.848)  (  1.251,  -2.065,  -1.846)  ( 0.07,  0.11,  0.10)
166:     angle   ( -6.227,  -1.125,  -2.962)  ( -6.226,  -1.124,  -2.961)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -0.245,  -0.553,  -0.380)  ( -0.245,  -0.553,  -0.380)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.960,  -0.598,   1.997)  (  1.960,  -0.598,   1.997)  ( 0.00,  0.01,  0.00)
166:     oop     (  0.155,   1.094,  -1.118)  (  0.137,   0.945,  -0.964)  ( 0.28, 13.62, 13.81)
166:     vdw     ( -0.907,   0.415,  -2.870)  ( -0.907,   0.416,  -2.870)  ( 0.01,  0.00,  0.00)
166:     electro (  4.281,   5.730,   5.098)  (  4.281,   5.730,   5.098)  ( 0.00,  0.00,  0.00)
166: 41       (  0.150,  -0.326,  -1.122)  (  0.156,  -0.330,  -1.156)  ( 0.09,  0.11,  3.09)
166:     bond    (  1.745,  -1.007,   0.287)  (  1.748,  -1.006,   0.287)  ( 0.17,  0.10,  0.00)
166:     angle   (  0.464,   0.801,  -0.015)  (  0.464,   0.801,  -0.015)  ( 0.01,  0.05,  0.00)
166:     strbnd  (  0.646,   0.353,  -0.007)  (  0.646,   0.352,  -0.007)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.413,  -0.701,  -4.980)  (  0.413,  -0.701,  -4.980)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.012,   0.022,   0.147)  ( -0.009,   0.017,   0.112)  ( 0.00,  0.01,  0.51)
166:     vdw     ( -2.888,  -0.070,   2.547)  ( -2.888,  -0.069,   2.547)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.219,   0.276,   0.899)  ( -0.219,   0.276,   0.899)  ( 0.00,  0.00,  0.00)
166: 42       ( -0.022,   0.418,   1.179)  ( -0.018,   0.419,   1.187)  ( 0.01,  0.04,  0.61)
166:     bond    ( -1.375,   0.917,   0.310)  ( -1.372,   0.918,   0.310)  ( 0.19,  0.11,  0.00)
166:     angle   (  3.321,   4.944,   0.058)  (  3.321,   4.944,   0.059)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -1.480,   0.664,   0.304)  ( -1.480,   0.664,   0.304)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.662,   0.518,  -4.465)  ( -0.662,   0.518,  -4.465)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.006,   0.005,  -0.042)  ( -0.005,   0.004,  -0.035)  ( 0.00,  0.00,  0.03)
166:     vdw     ( -0.590,  -7.239,   3.112)  ( -0.590,  -7.239,   3.112)  ( 0.00,  0.00,  0.00)
166:     electro (  0.772,   0.610,   1.902)  (  0.772,   0.610,   1.902)  ( 0.00,  0.00,  0.00)
166: 43       ( -0.711,   0.449,   1.668)  ( -0.708,   0.450,   1.671)  ( 0.25,  0.04,  0.19)
166:     bond    (  1.870,   0.804,  -0.109)  (  1.873,   0.804,  -0.109)  ( 0.17,  0.05,  0.00)
166:     angle   ( -0.221,   0.524,   0.072)  ( -0.221,   0.524,   0.072)  ( 0.00,  0.03,  0.00)
166:     strbnd  ( -1.440,  -0.145,   0.136)  ( -1.440,  -0.145,   0.136)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.118,  -0.120,   1.139)  (  0.118,  -0.120,   1.139)  ( 0.00,  0.00,  0.03)
166:     oop     ( -0.002,   0.002,  -0.018)  ( -0.002,   0.002,  -0.015)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.750,  -0.350,   0.003)  ( -0.750,  -0.350,   0.003)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.286,  -0.265,   0.445)  ( -0.286,  -0.265,   0.445)  ( 0.00,  0.00,  0.00)
166: 44       ( -1.146,   0.069,   0.778)  ( -1.144,   0.072,   0.786)  ( 0.13,  0.02,  0.61)
166:     bond    (  0.202,   1.622,   0.146)  (  0.202,   1.625,   0.146)  ( 0.00,  0.23,  0.00)
166:     angle   ( -1.147,   0.132,   0.122)  ( -1.147,   0.132,   0.122)  ( 0.06,  0.00,  0.00)
166:     strbnd  ( -0.299,  -0.281,   0.005)  ( -0.299,  -0.281,   0.005)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.051,  -0.056,   0.548)  (  0.051,  -0.056,   0.549)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.004,   0.004,  -0.044)  ( -0.004,   0.004,  -0.036)  ( 0.00,  0.00,  0.03)
166:     vdw     ( -0.104,  -0.746,  -0.073)  ( -0.104,  -0.746,  -0.073)  ( 0.00,  0.00,  0.00)
166:     electro (  0.156,  -0.607,   0.072)  (  0.156,  -0.607,   0.072)  ( 0.00,  0.00,  0.00)
166: 45       ( -0.998,  -0.419,  -0.572)  ( -0.996,  -0.416,  -0.587)  ( 0.13,  0.13,  0.80)
166:     bond    ( -2.026,   1.473,   0.312)  ( -2.024,   1.474,   0.312)  ( 0.12,  0.09,  0.00)
166:     angle   ( -0.884,  -1.211,  -0.011)  ( -0.883,  -1.211,  -0.011)  ( 0.02,  0.04,  0.00)
166:     strbnd  (  0.669,   0.039,  -0.071)  (  0.669,   0.039,  -0.071)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.083,   0.075,  -0.891)  ( -0.083,   0.075,  -0.891)  ( 0.00,  0.00,  0.03)
166:     oop     (  0.008,  -0.007,   0.085)  (  0.007,  -0.006,   0.071)  ( 0.00,  0.00,  0.12)
166:     vdw     (  0.563,  -0.681,  -0.091)  (  0.563,  -0.681,  -0.091)  ( 0.00,  0.00,  0.00)
166:     electro (  0.755,  -0.106,   0.094)  (  0.755,  -0.106,   0.094)  ( 0.00,  0.00,  0.00)
166: 46       ( -0.462,  -0.436,  -1.022)  ( -0.460,  -0.433,  -1.035)  ( 0.08,  0.10,  1.34)
166:     bond    ( -1.548,  -0.548,   0.144)  ( -1.545,  -0.547,   0.145)  ( 0.21,  0.02,  0.00)
166:     angle   ( -2.690,   7.839,   0.924)  ( -2.690,   7.840,   0.924)  ( 0.00,  0.01,  0.00)
166:     strbnd  (  2.263,   1.431,  -0.188)  (  2.263,   1.431,  -0.188)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.041,   0.010,  -0.399)  ( -0.041,   0.010,  -0.398)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.011,  -0.007,   0.092)  (  0.009,  -0.006,   0.078)  ( 0.00,  0.00,  0.13)
166:     vdw     (  2.373, -10.506,  -1.864)  (  2.373, -10.506,  -1.864)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.829,   1.345,   0.268)  ( -0.829,   1.345,   0.268)  ( 0.00,  0.00,  0.00)
166: 47       ( -0.364,   0.001,   0.224)  ( -0.363,   0.002,   0.227)  ( 0.04,  0.00,  0.06)
166:     bond    (  2.065,   0.651,   4.277)  (  2.066,   0.651,   4.280)  ( 0.03,  0.01,  0.06)
166:     angle   ( -1.189,   0.877,   0.440)  ( -1.189,   0.878,   0.440)  ( 0.04,  0.06,  0.01)
166:     strbnd  ( -1.004,  -2.559,  -2.464)  ( -1.004,  -2.559,  -2.464)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.081,   1.012,  -0.193)  (  0.081,   1.012,  -0.193)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.317,   0.020,  -1.836)  ( -0.317,   0.020,  -1.835)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 48       (  0.158,   0.208,   0.381)  (  0.161,   0.209,   0.382)  ( 0.05,  0.03,  0.02)
166:     bond    ( -1.345,  -0.662,  -0.174)  ( -1.342,  -0.661,  -0.174)  ( 0.21,  0.04,  0.00)
166:     angle   (  2.482,  -5.347,   1.171)  (  2.482,  -5.347,   1.171)  ( 0.00,  0.01,  0.04)
166:     strbnd  ( -0.569,  -0.838,  -0.623)  ( -0.569,  -0.838,  -0.623)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.479,  -1.375,   1.531)  (  0.479,  -1.375,   1.531)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.889,   8.429,  -1.524)  ( -0.889,   8.429,  -1.524)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 49       (  0.370,  -0.684,   0.437)  (  0.371,  -0.684,   0.441)  ( 0.03,  0.03,  0.14)
166:     bond    ( -0.186,   0.025,  -0.685)  ( -0.186,   0.025,  -0.682)  ( 0.00,  0.00,  0.22)
166:     angle   (  1.336,  -2.129,  -0.442)  (  1.336,  -2.128,  -0.442)  ( 0.04,  0.02,  0.00)
166:     strbnd  (  0.611,  -0.262,  -0.310)  (  0.611,  -0.262,  -0.310)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.104,  -0.201,   0.021)  ( -0.104,  -0.201,   0.021)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.287,   1.882,   1.854)  ( -1.287,   1.882,   1.854)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 50       (  0.588,   0.088,   1.012)  (  0.589,   0.092,   1.013)  ( 0.04,  0.03,  0.07)
166:     bond    (  0.403,  -2.471,   0.627)  (  0.403,  -2.468,   0.627)  ( 0.00,  0.12,  0.01)
166:     angle   (  5.516,   0.699,  -0.794)  (  5.517,   0.699,  -0.793)  ( 0.01,  0.00,  0.04)
166:     strbnd  (  0.314,   1.208,  -0.817)  (  0.314,   1.208,  -0.817)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.531,  -0.207,  -0.474)  ( -0.531,  -0.207,  -0.474)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.114,   0.860,   2.470)  ( -5.114,   0.860,   2.470)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 51       ( -0.316,  -0.193,  -0.505)  ( -0.315,  -0.192,  -0.503)  ( 0.06,  0.02,  0.10)
166:     bond    (  0.716,  -0.298,  -0.826)  (  0.717,  -0.297,  -0.824)  ( 0.10,  0.01,  0.15)
166:     angle   (  1.189,  -5.329,   2.958)  (  1.189,  -5.328,   2.959)  ( 0.03,  0.01,  0.01)
166:     strbnd  ( -0.047,  -0.589,  -0.422)  ( -0.047,  -0.589,  -0.422)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.936,  -0.735,   1.080)  (  0.936,  -0.735,   1.080)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.110,   6.758,  -3.296)  ( -3.110,   6.758,  -3.296)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 52       ( -0.101,  -0.092,  -0.176)  ( -0.100,  -0.090,  -0.175)  ( 0.01,  0.02,  0.01)
166:     bond    (  1.134,  -2.431,   0.852)  (  1.134,  -2.428,   0.852)  ( 0.05,  0.10,  0.03)
166:     angle   ( -3.696,  -1.139,   1.674)  ( -3.696,  -1.138,   1.675)  ( 0.01,  0.01,  0.03)
166:     strbnd  ( -1.209,   1.211,  -0.450)  ( -1.209,   1.211,  -0.450)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.018,   0.060,   0.194)  ( -0.018,   0.060,   0.194)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.689,   2.206,  -2.447)  (  3.689,   2.206,  -2.447)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 53       (  0.304,  -0.091,  -0.474)  (  0.305,  -0.090,  -0.471)  ( 0.04,  0.01,  0.12)
166:     bond    ( -0.341,  -0.134,  -0.569)  ( -0.341,  -0.134,  -0.567)  ( 0.03,  0.00,  0.14)
166:     angle   (  0.912,  -4.148,   0.434)  (  0.913,  -4.147,   0.434)  ( 0.03,  0.01,  0.01)
166:     strbnd  ( -0.362,  -0.327,   0.331)  ( -0.362,  -0.327,   0.331)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.427,  -0.471,  -0.145)  (  0.427,  -0.471,  -0.145)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.333,   4.990,  -0.524)  ( -0.333,   4.990,  -0.524)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 54       (  0.047,   0.327,   0.213)  (  0.048,   0.328,   0.216)  ( 0.00,  0.04,  0.06)
166:     bond    (  0.044,   0.448,  -1.022)  (  0.044,   0.449,  -1.019)  ( 0.00,  0.02,  0.28)
166:     angle   ( -5.073,   4.709,   1.855)  ( -5.072,   4.710,   1.855)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -0.688,  -1.108,  -0.508)  ( -0.688,  -1.108,  -0.508)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.301,   0.513,   0.239)  (  0.301,   0.513,   0.239)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  5.463,  -4.236,  -0.352)  (  5.463,  -4.236,  -0.352)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 55       ( -0.139,  -0.301,   0.325)  ( -0.139,  -0.299,   0.327)  ( 0.01,  0.06,  0.06)
166:     bond    (  0.004,  -0.058,  -0.057)  (  0.004,  -0.056,  -0.056)  ( 0.00,  0.01,  0.01)
166:     angle   ( -0.993,   1.847,  -1.929)  ( -0.992,   1.847,  -1.929)  ( 0.07,  0.01,  0.01)
166:     strbnd  ( -0.720,  -1.271,   0.377)  ( -0.720,  -1.271,   0.377)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.101,   0.125,  -0.120)  (  0.101,   0.125,  -0.120)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.469,  -0.945,   2.055)  (  1.469,  -0.944,   2.055)  ( 0.01,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 56       ( -0.037,  -0.300,  -0.241)  ( -0.036,  -0.299,  -0.238)  ( 0.00,  0.04,  0.06)
166:     bond    (  0.176,   1.777,  -3.219)  (  0.177,   1.777,  -3.216)  ( 0.00,  0.04,  0.08)
166:     angle   ( -1.373,  -1.962,  -1.160)  ( -1.373,  -1.962,  -1.159)  ( 0.05,  0.02,  0.01)
166:     strbnd  ( -0.304,   0.067,   1.171)  ( -0.304,   0.067,   1.171)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.378,   0.531,   0.218)  ( -1.378,   0.532,   0.218)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.841,  -0.714,   2.749)  (  2.842,  -0.714,   2.749)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 57       (  0.041,   0.148,  -0.296)  (  0.041,   0.150,  -0.294)  ( 0.00,  0.03,  0.06)
166:     bond    ( -0.135,   2.007,   2.146)  ( -0.135,   2.009,   2.147)  ( 0.00,  0.08,  0.08)
166:     angle   (  0.451,  -0.692,   0.675)  (  0.452,  -0.692,   0.675)  ( 0.03,  0.02,  0.02)
166:     strbnd  ( -0.177,  -0.030,  -0.939)  ( -0.177,  -0.030,  -0.939)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.075,  -0.300,   0.213)  ( -1.075,  -0.300,   0.213)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.976,  -0.838,  -2.392)  (  0.976,  -0.838,  -2.392)  ( 0.02,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 58       ( -0.254,   0.017,  -0.064)  ( -0.254,   0.019,  -0.062)  ( 0.02,  0.00,  0.02)
166:     bond    ( -0.040,  -1.500,   1.928)  ( -0.040,  -1.499,   1.930)  ( 0.00,  0.08,  0.11)
166:     angle   ( -1.136,   1.312,   0.995)  ( -1.135,   1.312,   0.995)  ( 0.05,  0.03,  0.02)
166:     strbnd  (  0.280,  -0.457,  -0.574)  (  0.280,  -0.457,  -0.574)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.158,   0.214,   0.170)  (  0.158,   0.214,   0.170)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.484,   0.449,  -2.583)  (  0.484,   0.449,  -2.583)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 59       ( -0.039,   0.371,   0.524)  ( -0.039,   0.373,   0.526)  ( 0.00,  0.07,  0.11)
166:     bond    (  0.250,   2.246,  -2.453)  (  0.250,   2.247,  -2.451)  ( 0.00,  0.07,  0.07)
166:     angle   ( -0.227,   0.092,   0.062)  ( -0.226,   0.092,   0.062)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( -0.193,  -0.135,   1.231)  ( -0.193,  -0.135,   1.231)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.564,   2.085,   1.969)  (  0.564,   2.085,   1.969)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.433,  -3.917,  -0.285)  ( -0.433,  -3.917,  -0.285)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 60       ( -0.063,  -0.072,   0.504)  ( -0.062,  -0.071,   0.506)  ( 0.01,  0.01,  0.13)
166:     bond    (  0.260,   1.745,   3.031)  (  0.260,   1.746,   3.033)  ( 0.00,  0.05,  0.08)
166:     angle   (  3.751,  -1.603,   0.601)  (  3.752,  -1.603,   0.601)  ( 0.02,  0.02,  0.01)
166:     strbnd  ( -0.199,  -0.015,  -1.540)  ( -0.199,  -0.015,  -1.540)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.382,   1.853,  -0.948)  ( -1.382,   1.853,  -0.948)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.493,  -2.052,  -0.640)  ( -2.493,  -2.052,  -0.640)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 61       ( -0.281,   0.189,  -0.034)  ( -0.280,   0.192,  -0.033)  ( 0.02,  0.06,  0.00)
166:     bond    (  0.133,  -2.004,   0.580)  (  0.133,  -2.001,   0.581)  ( 0.00,  0.15,  0.02)
166:     angle   (  0.076,  -0.444,  -1.547)  (  0.077,  -0.444,  -1.546)  ( 0.00,  0.00,  0.04)
166:     strbnd  ( -0.121,  -0.013,   0.295)  ( -0.121,  -0.013,   0.295)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.940,   0.033,  -0.103)  (  0.940,   0.033,  -0.103)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.309,   2.616,   0.740)  ( -1.309,   2.616,   0.740)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 62       ( -0.037,   0.359,   0.037)  ( -0.037,   0.362,   0.038)  ( 0.00,  0.10,  0.00)
166:     bond    ( -0.580,   1.889,  -0.905)  ( -0.580,   1.891,  -0.905)  ( 0.01,  0.13,  0.05)
166:     angle   ( -0.273,   0.763,   1.769)  ( -0.273,   0.763,   1.769)  ( 0.01,  0.01,  0.02)
167:     torsion ( -0.113,  -0.440,   0.129)  ( -0.113,  -0.440,   0.129)  ( 0.00,  0.01,  0.00)
167:     oop     ( -0.004,  -0.017,   0.005)  ( -0.003,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
167:     vdw     (  5.058,  -1.595,  -0.879)  (  5.058,  -1.595,  -0.879)  ( 0.00,  0.00,  0.00)
167:     electro (  0.961,  -0.585,  -2.896)  (  0.961,  -0.585,  -2.896)  ( 0.00,  0.00,  0.00)
167:  7       (  0.004,  -0.006,  -0.007)  (  0.009,   0.011,  -0.010)  ( 0.00,  0.01,  0.00)
167:     bond    ( -1.576,  -0.689,  -3.698)  ( -1.575,  -0.689,  -3.696)  ( 0.02,  0.00,  0.06)
167:     angle   ( -1.762,   0.781,   0.606)  ( -1.762,   0.781,   0.606)  ( 0.02,  0.00,  0.00)
167:     strbnd  (  3.973,   2.058,  10.392)  (  3.974,   2.058,  10.392)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.002,   0.010,  -0.003)  (  0.002,   0.010,  -0.003)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.021,  -0.079,   0.024)  ( -0.017,  -0.062,   0.019)  ( 0.01,  0.13,  0.01)
167:     vdw     ( -0.489,  -2.014,  -7.035)  ( -0.489,  -2.014,  -7.035)  ( 0.01,  0.00,  0.00)
167:     electro ( -0.123,  -0.073,  -0.293)  ( -0.123,  -0.073,  -0.293)  ( 0.00,  0.00,  0.00)
167:  8       ( -0.014,   0.006,   0.005)  ( -0.006,   0.023,   0.000)  ( 0.01,  0.01,  0.00)
167:     bond    ( -3.952,   0.990,  -0.369)  ( -3.949,   0.990,  -0.369)  ( 0.06,  0.01,  0.00)
167:     angle   (  0.055,  -0.510,  -1.957)  (  0.055,  -0.510,  -1.957)  ( 0.00,  0.00,  0.02)
167:     strbnd  ( 10.930,  -2.876,   0.597)  ( 10.930,  -2.875,   0.597)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.004,   0.013,  -0.005)  (  0.004,   0.013,  -0.005)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.022,  -0.078,   0.025)  ( -0.017,  -0.061,   0.019)  ( 0.01,  0.13,  0.01)
167:     vdw     ( -6.710,   2.400,   1.731)  ( -6.710,   2.400,   1.731)  ( 0.00,  0.00,  0.01)
167:     electro ( -0.319,   0.065,  -0.017)  ( -0.319,   0.065,  -0.017)  ( 0.00,  0.00,  0.00)
167:  9       (  0.001,  -0.005,  -0.013)  (  0.003,   0.000,  -0.012)  ( 0.00,  0.00,  0.00)
167:     bond    ( -4.048,   5.770,  13.996)  ( -4.048,   5.770,  13.999)  ( 0.00,  0.01,  0.02)
167:     angle   ( -1.241,   0.257,  -0.465)  ( -1.241,   0.257,  -0.465)  ( 0.03,  0.00,  0.00)
167:     strbnd  (  6.786,  -8.639, -20.325)  (  6.786,  -8.639, -20.325)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.124,  -0.435,   0.144)  ( -0.124,  -0.435,   0.144)  ( 0.00,  0.01,  0.00)
167:     oop     ( -0.005,  -0.018,   0.006)  ( -0.004,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
167:     vdw     (  0.799,   1.425,   5.120)  (  0.799,   1.425,   5.120)  ( 0.01,  0.00,  0.00)
167:     electro ( -2.167,   1.634,   1.511)  ( -2.167,   1.634,   1.511)  ( 0.00,  0.00,  0.00)
167: 10       ( -0.041,  -0.122,   0.031)  ( -0.038,  -0.116,   0.034)  ( 0.01,  0.07,  0.01)
167:     bond    ( -3.216, -14.697,   5.117)  ( -3.214, -14.692,   5.118)  ( 0.06,  0.04,  0.02)
167:     angle   ( -7.773,   6.823,  -8.945)  ( -7.771,   6.824,  -8.944)  ( 0.02,  0.01,  0.01)
167:     strbnd  (  6.282,   1.107,   3.899)  (  6.282,   1.107,   3.898)  ( 0.01,  0.00,  0.01)
167:     torsion (  0.055,  -0.068,   0.073)  (  0.055,  -0.068,   0.073)  ( 0.00,  0.00,  0.00)
167:     oop     (  0.002,  -0.001,  -0.002)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
167:     vdw     (  2.079,   0.861,   1.042)  (  2.079,   0.861,   1.042)  ( 0.00,  0.00,  0.00)
167:     electro (  2.530,   5.853,  -1.152)  (  2.530,   5.853,  -1.152)  ( 0.00,  0.00,  0.00)
167: 11       ( -0.148,   0.096,  -0.138)  ( -0.138,   0.102,  -0.133)  ( 0.15,  0.06,  0.07)
167:     bond    ( -2.324,  11.771,  -7.579)  ( -2.317,  11.777,  -7.575)  ( 0.31,  0.05,  0.07)
167:     angle   ( -3.241,  -6.144,   0.794)  ( -3.239,  -6.142,   0.795)  ( 0.06,  0.04,  0.10)
167:     strbnd  (  3.432,   4.890,  -0.026)  (  3.432,   4.889,  -0.026)  ( 0.02,  0.02,  0.00)
167:     torsion ( -0.002,   0.001,   0.002)  ( -0.002,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.006,   0.004,   0.007)  ( -0.005,   0.003,   0.007)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.330,  -2.187,   2.045)  (  1.330,  -2.187,   2.045)  ( 0.00,  0.01,  0.00)
167:     electro (  0.662,  -8.239,   4.619)  (  0.662,  -8.239,   4.619)  ( 0.00,  0.00,  0.00)
167: 12       (  0.104,  -0.045,   0.088)  (  0.109,  -0.043,   0.092)  ( 0.05,  0.01,  0.04)
167:     bond    (  2.062,  -0.697,   1.813)  (  2.066,  -0.696,   1.817)  ( 0.24,  0.04,  0.21)
167:     angle   (  4.094,   8.524,  -1.388)  (  4.094,   8.525,  -1.388)  ( 0.00,  0.01,  0.00)
167:     strbnd  ( -2.194,   1.376,  -2.250)  ( -2.194,   1.376,  -2.250)  ( 0.00,  0.01,  0.00)
167:     torsion (  0.001,  -0.001,  -0.001)  (  0.001,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
167:     oop     (  0.002,  -0.002,  -0.003)  (  0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -4.811,   4.186,  -5.523)  ( -4.811,   4.186,  -5.523)  ( 0.00,  0.01,  0.00)
167:     electro (  0.951, -13.432,   7.439)  (  0.951, -13.432,   7.439)  ( 0.00,  0.00,  0.00)
167: 13       (  0.019,  -0.062,   0.035)  (  0.022,  -0.057,   0.038)  ( 0.01,  0.03,  0.01)
167:     bond    ( -0.415,   6.996,  -3.819)  ( -0.413,   7.000,  -3.818)  ( 0.10,  0.06,  0.03)
167:     angle   (  8.099,   0.357,   5.569)  (  8.100,   0.358,   5.570)  ( 0.01,  0.02,  0.02)
167:     strbnd  ( -1.445,  -0.164,  -0.943)  ( -1.445,  -0.164,  -0.943)  ( 0.01,  0.00,  0.00)
167:     torsion (  0.096,   0.027,   0.051)  (  0.096,   0.027,   0.051)  ( 0.00,  0.00,  0.00)
167:     oop     (  0.002,  -0.001,  -0.003)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -1.982,  -2.198,  -0.300)  ( -1.982,  -2.198,  -0.300)  ( 0.00,  0.00,  0.00)
167:     electro ( -4.335,  -5.079,  -0.519)  ( -4.335,  -5.079,  -0.519)  ( 0.00,  0.00,  0.00)
167: 14       (  0.006,   0.040,  -0.035)  (  0.012,   0.045,  -0.029)  ( 0.00,  0.02,  0.02)
167:     bond    (  2.536,  -3.983,   3.794)  (  2.540,  -3.979,   3.799)  ( 0.17,  0.11,  0.12)
167:     angle   ( -4.065,   3.789,  -4.804)  ( -4.063,   3.791,  -4.803)  ( 0.05,  0.05,  0.04)
167:     strbnd  ( -0.833,   0.598,  -0.890)  ( -0.834,   0.596,  -0.891)  ( 0.05,  0.09,  0.05)
167:     torsion ( -0.191,  -0.892,   0.315)  ( -0.191,  -0.892,   0.315)  ( 0.00,  0.01,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  6.216,   6.029,   1.376)  (  6.216,   6.029,   1.376)  ( 0.00,  0.00,  0.00)
167:     electro ( -3.657,  -5.500,   0.174)  ( -3.657,  -5.500,   0.174)  ( 0.00,  0.00,  0.00)
167: 15       ( -0.047,  -0.022,   0.038)  ( -0.042,  -0.016,   0.044)  ( 0.03,  0.01,  0.02)
167:     bond    ( -2.867,  -2.743,  -0.596)  ( -2.863,  -2.738,  -0.591)  ( 0.15,  0.16,  0.26)
167:     angle   (  3.517,  -2.080,   3.550)  (  3.519,  -2.078,   3.552)  ( 0.05,  0.09,  0.05)
167:     strbnd  (  0.684,   0.667,   0.147)  (  0.683,   0.666,   0.146)  ( 0.06,  0.04,  0.01)
167:     torsion ( -1.441,   4.053,  -3.064)  ( -1.441,   4.053,  -3.064)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.060,   0.081,   0.002)  (  0.060,   0.081,   0.002)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 16       ( -0.011,  -0.078,   0.040)  ( -0.010,  -0.073,   0.042)  ( 0.00,  0.05,  0.01)
167:     bond    ( -0.642,   8.502,  -4.741)  ( -0.642,   8.508,  -4.739)  ( 0.00,  0.07,  0.04)
167:     angle   ( -2.615,  -0.955,  -1.361)  ( -2.614,  -0.955,  -1.360)  ( 0.03,  0.02,  0.04)
167:     strbnd  (  0.050,  -9.018,   4.574)  (  0.050,  -9.018,   4.574)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.486,  -1.486,   1.804)  (  1.486,  -1.486,   1.804)  ( 0.00,  0.00,  0.00)
167:     electro (  1.710,   2.879,  -0.236)  (  1.710,   2.879,  -0.236)  ( 0.00,  0.00,  0.00)
167: 17       ( -0.005,   0.002,  -0.011)  ( -0.004,   0.003,  -0.007)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.079,   0.242,   1.908)  ( -0.079,   0.242,   1.911)  ( 0.00,  0.00,  0.17)
167:     angle   ( -1.927,  -2.302,   0.212)  ( -1.927,  -2.301,   0.212)  ( 0.03,  0.03,  0.00)
167:     strbnd  (  0.174,  -0.470,   0.195)  (  0.174,  -0.470,   0.195)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.269,  -0.028,   0.015)  (  0.269,  -0.028,   0.015)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.559,   2.559,  -2.340)  (  1.559,   2.559,  -2.340)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 18       ( -0.013,   0.008,  -0.002)  ( -0.010,   0.010,  -0.001)  ( 0.00,  0.00,  0.00)
167:     bond    (  1.600,  -0.952,  -0.465)  (  1.603,  -0.952,  -0.465)  ( 0.15,  0.08,  0.01)
167:     angle   ( -1.585,  -2.541,  -0.266)  ( -1.585,  -2.540,  -0.265)  ( 0.01,  0.02,  0.01)
167:     strbnd  (  0.041,  -0.375,   0.383)  (  0.041,  -0.375,   0.383)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.115,   0.081,   0.231)  (  0.115,   0.081,   0.231)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.184,   3.795,   0.115)  ( -0.184,   3.795,   0.115)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 19       ( -0.003,   0.007,  -0.003)  ( -0.003,   0.010,  -0.002)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.011,  -0.341,   0.161)  ( -0.011,  -0.338,   0.162)  ( 0.00,  0.09,  0.01)
167:     angle   ( -0.425,  -0.104,  -0.247)  ( -0.425,  -0.104,  -0.246)  ( 0.02,  0.00,  0.01)
167:     strbnd  ( -0.183,  -0.109,  -0.074)  ( -0.183,  -0.109,  -0.074)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.617,   0.560,   0.156)  (  0.617,   0.560,   0.156)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 20       (  0.031,  -0.017,  -0.014)  (  0.033,  -0.015,  -0.014)  ( 0.01,  0.00,  0.00)
167:     bond    ( -1.142,   0.665,   0.296)  ( -1.140,   0.665,   0.296)  ( 0.21,  0.05,  0.00)
167:     angle   ( -0.598,   0.006,  -2.313)  ( -0.598,   0.007,  -2.313)  ( 0.01,  0.00,  0.02)
167:     strbnd  (  0.341,  -0.436,  -0.190)  (  0.341,  -0.436,  -0.190)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.100,  -1.141,   2.178)  ( -0.100,  -1.141,   2.178)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.529,   0.890,   0.014)  (  1.529,   0.890,   0.014)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 21       (  0.003,   0.010,  -0.024)  (  0.003,   0.010,  -0.020)  ( 0.00,  0.00,  0.01)
167:     bond    (  0.025,  -0.167,  -1.404)  (  0.025,  -0.167,  -1.400)  ( 0.00,  0.00,  0.24)
167:     angle   ( -2.115,   1.092,  -0.168)  ( -2.114,   1.093,  -0.168)  ( 0.03,  0.04,  0.00)
167:     strbnd  ( -0.186,  -0.062,   0.552)  ( -0.186,  -0.062,   0.552)  ( 0.00,  0.00,  0.00)
167:     torsion (  1.253,  -2.101,   0.273)  (  1.253,  -2.101,   0.273)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.026,   1.247,   0.724)  (  1.026,   1.247,   0.724)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: ok 8 # gradients 
167: ok 9 # energy 
167: ----------------------------------------------------------------------------------------
167:                                                                                         
167:   VALIDATE GRADIENTS : semdix.xyz
167:                                                                                         
167:                                                                                         
167: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
167: ----------------------------------------------------------------------------------------
167:  1       ( -0.039,  -0.073,   0.047)  ( -0.036,  -0.064,   0.051)  ( 0.01,  0.06,  0.02)
167:     bond    ( -7.512,   1.783,  -2.223)  ( -7.509,   1.791,  -2.220)  ( 0.04,  0.44,  0.14)
167:     angle   (  9.520,   8.593,   6.171)  (  9.521,   8.594,   6.173)  ( 0.01,  0.01,  0.03)
167:     strbnd  (-12.566,   3.932,  -2.829)  (-12.567,   3.932,  -2.830)  ( 0.00,  0.01,  0.02)
167:     torsion (  0.272,   0.999,  -0.774)  (  0.272,   0.999,  -0.774)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  8.163, -13.337,  -0.869)  (  8.163, -13.337,  -0.869)  ( 0.00,  0.00,  0.00)
167:     electro (  2.084,  -2.043,   0.571)  (  2.084,  -2.043,   0.571)  ( 0.00,  0.00,  0.00)
167:  2       ( -0.001,  -0.011,   0.004)  (  0.000,  -0.009,   0.007)  ( 0.00,  0.00,  0.00)
167:     bond    (  0.455,   0.358,  -0.667)  (  0.457,   0.359,  -0.665)  ( 0.05,  0.03,  0.16)
167:     angle   (  4.611,  -3.755,   1.139)  (  4.612,  -3.754,   1.139)  ( 0.01,  0.02,  0.02)
167:     strbnd  ( -0.238,   1.721,   0.675)  ( -0.238,   1.720,   0.675)  ( 0.00,  0.00,  0.01)
167:     torsion (  0.420,  -0.286,   0.134)  (  0.420,  -0.286,   0.134)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  3.879,  -9.651,   0.860)  (  3.879,  -9.651,   0.860)  ( 0.00,  0.00,  0.00)
167:     electro ( -9.129,  11.602,  -2.137)  ( -9.129,  11.602,  -2.137)  ( 0.00,  0.00,  0.00)
167:  3       (  0.003,  -0.013,   0.006)  (  0.004,  -0.007,   0.006)  ( 0.00,  0.01,  0.00)
167:     bond    (  0.045,  -0.386,  -0.051)  (  0.045,  -0.380,  -0.051)  ( 0.00,  0.23,  0.00)
167:     angle   ( -3.619,  -0.541,   0.864)  ( -3.619,  -0.541,   0.864)  ( 0.02,  0.00,  0.03)
167:     strbnd  ( -0.660,   0.252,  -0.120)  ( -0.660,   0.252,  -0.120)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.212,  -0.151,   0.948)  ( -0.212,  -0.151,   0.948)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.344,  -0.504,   0.445)  (  1.344,  -0.504,   0.445)  ( 0.00,  0.00,  0.00)
167:     electro (  3.105,   1.317,  -2.081)  (  3.105,   1.317,  -2.081)  ( 0.00,  0.00,  0.00)
167:  4       (  0.044,   0.056,  -0.067)  (  0.045,   0.058,  -0.063)  ( 0.01,  0.01,  0.02)
167:     bond    ( -0.400,  -0.524,   0.650)  ( -0.398,  -0.522,   0.653)  ( 0.04,  0.10,  0.20)
167:     angle   ( -5.854,   2.869,  -1.277)  ( -5.853,   2.870,  -1.277)  ( 0.01,  0.01,  0.01)
167:     strbnd  ( -1.135,  -0.538,   0.610)  ( -1.135,  -0.538,   0.610)  ( 0.01,  0.01,  0.01)
167:     torsion (  0.032,  -0.698,  -0.538)  (  0.032,  -0.698,  -0.538)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( 10.552,  -8.215,   3.363)  ( 10.552,  -8.215,   3.363)  ( 0.00,  0.00,  0.00)
167:     electro ( -3.151,   7.161,  -2.875)  ( -3.151,   7.161,  -2.875)  ( 0.00,  0.00,  0.00)
167:  5       ( -0.016,  -0.032,  -0.036)  ( -0.011,  -0.028,  -0.031)  ( 0.01,  0.02,  0.02)
167:     bond    (  8.665,  -5.869,  -2.407)  (  8.668,  -5.866,  -2.405)  ( 0.03,  0.04,  0.11)
167:     angle   ( 14.891, -11.135,  -0.108)  ( 14.893, -11.133,  -0.105)  ( 0.02,  0.02,  0.03)
167:     strbnd  ( -4.622,   7.292,  -0.077)  ( -4.623,   7.291,  -0.078)  ( 0.02,  0.01,  0.01)
167:     torsion (  0.115,  -0.478,   0.649)  (  0.115,  -0.478,   0.649)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.615,  -0.366,   0.687)  (  0.615,  -0.366,   0.687)  ( 0.00,  0.00,  0.00)
167:     electro (-19.678,  10.524,   1.221)  (-19.678,  10.524,   1.221)  ( 0.00,  0.00,  0.00)
167:  6       ( -0.030,   0.012,   0.002)  ( -0.026,   0.016,   0.008)  ( 0.01,  0.01,  0.00)
167:     bond    ( -5.107,  28.856,  -3.817)  ( -5.104,  28.859,  -3.812)  ( 0.06,  0.01,  0.13)
167:     angle   (-16.294, -14.070,  -0.576)  (-16.291, -14.068,  -0.574)  ( 0.02,  0.02,  0.12)
167:     strbnd  ( 14.404,  -7.085,   3.027)  ( 14.402,  -7.086,   3.026)  ( 0.01,  0.01,  0.02)
167:     torsion (  0.382,  -0.345,   0.073)  (  0.382,  -0.345,   0.073)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  6.585,  -7.344,   1.295)  (  6.585,  -7.344,   1.295)  ( 0.00,  0.00,  0.01)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:  7       ( -0.008,   0.056,   0.024)  ( -0.002,   0.062,   0.028)  ( 0.00,  0.03,  0.01)
167:     bond    (-17.495,  -2.527,  22.456)  (-17.491,  -2.523,  22.459)  ( 0.02,  0.17,  0.01)
167:     angle   (  6.906,   4.793, -20.315)  (  6.908,   4.795, -20.313)  ( 0.03,  0.05,  0.01)
167:     strbnd  ( -0.312,   0.860,  -1.629)  ( -0.313,   0.860,  -1.630)  ( 0.02,  0.06,  0.07)
167:     torsion (  0.078,   0.540,   0.603)  (  0.078,   0.540,   0.603)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.365,   6.410,  -7.993)  (  0.365,   6.411,  -7.993)  ( 0.01,  0.00,  0.00)
167:     electro ( 10.449, -10.021,   6.902)  ( 10.449, -10.021,   6.902)  ( 0.00,  0.00,  0.00)
167:  8       ( -0.016,   0.021,   0.017)  ( -0.011,   0.026,   0.023)  ( 0.01,  0.01,  0.01)
167:     bond    (  5.818,  -7.958,   2.136)  (  5.822,  -7.954,   2.140)  ( 0.08,  0.05,  0.20)
167:     angle   ( -9.508,   5.167,   2.401)  ( -9.507,   5.169,   2.402)  ( 0.02,  0.04,  0.07)
167:     strbnd  ( -1.075,  -2.063,   3.999)  ( -1.075,  -2.064,   3.999)  ( 0.05,  0.04,  0.01)
167:     torsion (  1.216,   0.373,  -0.759)  (  1.216,   0.373,  -0.759)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  3.533,   4.502,  -7.760)  (  3.533,   4.502,  -7.760)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:  9       ( -0.034,   0.039,   0.014)  ( -0.028,   0.044,   0.018)  ( 0.02,  0.02,  0.01)
167:     bond    (-10.691, -17.476, -11.199)  (-10.687, -17.472, -11.195)  ( 0.04,  0.02,  0.03)
167:     angle   (  6.844,  25.523,   4.420)  (  6.847,  25.525,   4.423)  ( 0.03,  0.01,  0.05)
167:     strbnd  ( -0.703,  -2.771,   2.914)  ( -0.704,  -2.772,   2.913)  ( 0.03,  0.03,  0.04)
167:     torsion ( -1.271,   0.298,  -0.007)  ( -1.271,   0.298,  -0.007)  ( 0.01,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.611,   6.133,   7.845)  ( -0.611,   6.133,   7.845)  ( 0.01,  0.00,  0.00)
167:     electro (  6.398, -11.668,  -3.961)  (  6.398, -11.668,  -3.961)  ( 0.00,  0.00,  0.00)
167: 10       ( -0.043,   0.023,  -0.058)  ( -0.037,   0.029,  -0.053)  ( 0.03,  0.01,  0.03)
167:     bond    (  2.273,   4.210,  -7.157)  (  2.278,   4.215,  -7.153)  ( 0.20,  0.11,  0.06)
167:     angle   ( -4.782,  -9.381,   5.110)  ( -4.780,  -9.380,   5.112)  ( 0.04,  0.02,  0.04)
167:     strbnd  ( -0.590,  -1.767,  -5.703)  ( -0.590,  -1.768,  -5.704)  ( 0.03,  0.02,  0.02)
167:     torsion (  0.624,   0.972,   0.410)  (  0.624,   0.972,   0.410)  ( 0.00,  0.01,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  2.432,   5.989,   7.283)  (  2.432,   5.989,   7.283)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 11       (  0.006,  -0.014,   0.008)  (  0.010,  -0.008,   0.014)  ( 0.00,  0.01,  0.00)
167:     bond    ( 18.679,  -2.807,  -6.521)  ( 18.682,  -2.803,  -6.517)  ( 0.02,  0.16,  0.07)
167:     angle   (-21.205,  14.183,   9.289)  (-21.203,  14.185,   9.291)  ( 0.01,  0.01,  0.02)
167:     strbnd  (  1.878,  -2.321,  -3.338)  (  1.877,  -2.322,  -3.338)  ( 0.08,  0.02,  0.02)
167:     torsion (  0.229,  -0.649,  -0.324)  (  0.229,  -0.649,  -0.324)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -9.496,  -1.546,  -1.456)  ( -9.496,  -1.546,  -1.456)  ( 0.00,  0.01,  0.01)
167:     electro (  9.922,  -6.874,   2.359)  (  9.922,  -6.874,   2.359)  ( 0.00,  0.00,  0.00)
167: 12       ( -0.001,   0.032,   0.005)  (  0.005,   0.038,   0.010)  ( 0.00,  0.02,  0.00)
167:     bond    (  1.992,   4.956,   6.984)  (  1.996,   4.961,   6.989)  ( 0.21,  0.09,  0.06)
167:     angle   (  3.962,  -6.006,  -8.362)  (  3.964,  -6.004,  -8.360)  ( 0.04,  0.03,  0.02)
167:     strbnd  (  4.498,   2.135,   1.871)  (  4.497,   2.135,   1.870)  ( 0.01,  0.03,  0.04)
167:     torsion ( -1.062,   0.377,   0.291)  ( -1.062,   0.377,   0.291)  ( 0.01,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -9.391,  -1.430,  -0.779)  ( -9.391,  -1.430,  -0.779)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 13       (  0.009,   0.002,   0.000)  (  0.010,   0.004,   0.003)  ( 0.00,  0.00,  0.00)
167:     bond    (  0.237,   0.694,   1.067)  (  0.237,   0.695,   1.069)  ( 0.00,  0.07,  0.22)
167:     angle   ( -2.166,   2.271,  -0.996)  ( -2.166,   2.271,  -0.996)  ( 0.03,  0.02,  0.02)
167:     strbnd  ( -0.528,   2.326,  -1.506)  ( -0.528,   2.326,  -1.506)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.333,   0.625,  -0.333)  ( -0.333,   0.625,  -0.333)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  2.799,  -5.914,   1.768)  (  2.799,  -5.914,   1.768)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 14       (  0.001,  -0.041,  -0.025)  (  0.002,  -0.038,  -0.023)  ( 0.00,  0.01,  0.00)
167:     bond    (  0.121,   0.978,   0.855)  (  0.121,   0.980,   0.856)  ( 0.00,  0.19,  0.12)
167:     angle   ( -0.835,  -2.814,   3.339)  ( -0.835,  -2.814,   3.339)  ( 0.04,  0.01,  0.01)
167:     strbnd  ( -1.501,  -1.444,   1.827)  ( -1.501,  -1.444,   1.827)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.525,   0.316,  -0.288)  ( -0.525,   0.316,  -0.288)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  2.741,   2.922,  -5.758)  (  2.741,   2.922,  -5.758)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 15       ( -0.009,  -0.007,  -0.008)  ( -0.006,  -0.006,  -0.008)  ( 0.00,  0.00,  0.00)
167:     bond    (  2.025,   0.488,   0.203)  (  2.028,   0.489,   0.203)  ( 0.16,  0.01,  0.00)
167:     angle   (  0.918,  -6.276,   5.935)  (  0.918,  -6.276,   5.935)  ( 0.00,  0.01,  0.01)
167:     strbnd  (  0.315,  -0.157,   2.848)  (  0.315,  -0.157,   2.848)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.156,  -0.632,  -0.038)  (  0.156,  -0.632,  -0.038)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -3.424,   6.571,  -8.956)  ( -3.423,   6.571,  -8.956)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 16       (  0.004,  -0.019,  -0.010)  (  0.005,  -0.017,  -0.009)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.003,  -0.033,  -0.027)  ( -0.003,  -0.031,  -0.026)  ( 0.00,  0.01,  0.00)
167:     angle   (  0.672,  -2.508,   2.974)  (  0.672,  -2.507,   2.974)  ( 0.03,  0.01,  0.01)
167:     strbnd  (  0.326,  -0.072,   0.486)  (  0.326,  -0.072,   0.486)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.349,  -0.122,   0.183)  ( -0.349,  -0.122,   0.183)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.641,   2.715,  -3.627)  ( -0.641,   2.716,  -3.627)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 17       ( -0.002,  -0.006,  -0.010)  ( -0.001,  -0.005,  -0.007)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.770,  -0.513,   1.530)  ( -0.769,  -0.513,   1.533)  ( 0.05,  0.01,  0.16)
167:     angle   (  0.484,  -0.101,   0.210)  (  0.485,  -0.100,   0.210)  ( 0.02,  0.00,  0.00)
167:     strbnd  (  0.903,  -0.019,  -1.089)  (  0.903,  -0.019,  -1.089)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.167,  -0.152,  -0.135)  ( -0.167,  -0.152,  -0.135)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.453,   0.779,  -0.526)  ( -0.453,   0.779,  -0.526)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 18       (  0.009,  -0.007,  -0.006)  (  0.013,  -0.006,  -0.005)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.186,  -0.031,  -0.038)  ( -0.183,  -0.031,  -0.038)  ( 0.06,  0.00,  0.00)
167:     angle   ( -0.001,  -3.690,   3.012)  ( -0.001,  -3.689,   3.012)  ( 0.00,  0.01,  0.01)
167:     strbnd  ( -0.238,  -0.555,   0.057)  ( -0.238,  -0.555,   0.057)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.181,   0.195,   0.704)  ( -0.181,   0.195,   0.704)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.615,   4.074,  -3.740)  (  0.615,   4.074,  -3.740)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 19       (  0.019,  -0.041,   0.008)  (  0.020,  -0.038,   0.009)  ( 0.00,  0.01,  0.00)
167:     bond    (  0.677,  -1.445,   0.292)  (  0.678,  -1.442,   0.292)  ( 0.04,  0.19,  0.00)
167:     angle   ( -1.005,  -1.216,  -3.671)  ( -1.005,  -1.216,  -3.670)  ( 0.04,  0.01,  0.02)
167:     strbnd  ( -1.742,  -0.148,  -1.789)  ( -1.742,  -0.148,  -1.789)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.210,   0.090,  -0.042)  (  0.210,   0.090,  -0.042)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.877,   2.677,   5.218)  (  1.877,   2.677,   5.218)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 20       ( -0.005,  -0.001,   0.002)  ( -0.002,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.952,  -0.106,   0.112)  ( -0.948,  -0.106,   0.112)  ( 0.32,  0.00,  0.00)
167:     angle   (  0.138,  -5.030,  -3.586)  (  0.138,  -5.030,  -3.585)  ( 0.00,  0.01,  0.02)
167:     strbnd  (  0.526,  -1.605,  -1.670)  (  0.526,  -1.605,  -1.670)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.072,  -0.421,   0.214)  (  0.072,  -0.421,   0.214)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.210,   7.161,   4.932)  (  0.210,   7.161,   4.932)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 21       (  0.018,  -0.034,   0.016)  (  0.019,  -0.031,   0.017)  ( 0.00,  0.01,  0.00)
167:     bond    (  0.310,  -0.673,   0.202)  (  0.310,  -0.671,   0.202)  ( 0.02,  0.18,  0.00)
167:     angle   (  0.167,  -1.396,  -4.895)  (  0.167,  -1.396,  -4.895)  ( 0.01,  0.01,  0.01)
167:     strbnd  (  0.282,  -0.193,  -0.326)  (  0.282,  -0.193,  -0.326)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.415,  -0.240,  -0.161)  ( -0.415,  -0.240,  -0.161)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.326,   2.469,   5.196)  ( -0.326,   2.469,   5.196)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 22       (  0.021,   0.013,   0.021)  (  0.022,   0.015,   0.022)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.705,  -1.304,  -1.176)  ( -0.704,  -1.303,  -1.174)  ( 0.03,  0.12,  0.11)
167:     angle   (  0.266,   0.180,  -0.359)  (  0.266,   0.180,  -0.359)  ( 0.01,  0.00,  0.01)
167:     strbnd  (  0.688,   1.241,   0.578)  (  0.688,   1.241,   0.578)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.120,   0.072,  -0.007)  ( -0.120,   0.072,  -0.007)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.109,  -0.174,   0.986)  ( -0.109,  -0.174,   0.986)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 23       ( -0.000,  -0.006,  -0.006)  (  0.003,  -0.006,  -0.006)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.046,  -0.002,   0.007)  ( -0.043,  -0.002,   0.007)  ( 0.02,  0.00,  0.00)
167:     angle   ( -0.685,  -1.089,  -4.223)  ( -0.685,  -1.089,  -4.222)  ( 0.00,  0.04,  0.01)
167:     strbnd  ( -0.401,   0.150,  -0.337)  ( -0.401,   0.150,  -0.337)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.006,  -0.562,  -0.156)  ( -0.006,  -0.562,  -0.156)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.137,   1.497,   4.703)  (  1.137,   1.497,   4.703)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 24       (  0.001,   0.001,  -0.010)  (  0.002,   0.002,  -0.007)  ( 0.00,  0.00,  0.00)
167:     bond    (  0.241,   0.312,  -0.823)  (  0.241,   0.312,  -0.820)  ( 0.01,  0.01,  0.23)
167:     angle   (  6.530,  -0.021,   1.914)  (  6.530,  -0.020,   1.914)  ( 0.01,  0.00,  0.01)
167:     strbnd  (  1.607,  -0.705,   1.140)  (  1.607,  -0.705,   1.140)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.241,   0.199,   0.005)  ( -0.241,   0.199,   0.005)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -8.135,   0.216,  -2.247)  ( -8.135,   0.216,  -2.246)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 25       (  0.001,  -0.003,  -0.006)  (  0.002,  -0.000,  -0.005)  ( 0.00,  0.00,  0.00)
167:     bond    (  0.584,  -1.508,   0.127)  (  0.584,  -1.505,   0.127)  ( 0.03,  0.19,  0.00)
167:     angle   (  3.179,   1.068,  -1.976)  (  3.180,   1.068,  -1.975)  ( 0.02,  0.01,  0.03)
167:     strbnd  (  1.545,   1.128,  -0.502)  (  1.545,   1.128,  -0.502)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.227,   0.048,  -0.478)  (  0.227,   0.048,  -0.478)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -5.534,  -0.739,   2.823)  ( -5.534,  -0.739,   2.823)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 26       (  0.000,  -0.022,  -0.005)  (  0.001,  -0.019,  -0.005)  ( 0.00,  0.01,  0.00)
167:     bond    ( -0.113,   0.424,  -0.059)  ( -0.112,   0.427,  -0.059)  ( 0.00,  0.13,  0.00)
167:     angle   (  3.229,   1.089,   1.750)  (  3.230,   1.089,   1.750)  ( 0.01,  0.00,  0.03)
167:     strbnd  (  0.321,  -0.323,   0.447)  (  0.321,  -0.323,   0.447)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.630,   0.104,  -0.450)  (  0.630,   0.104,  -0.450)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -4.068,  -1.316,  -1.694)  ( -4.067,  -1.316,  -1.694)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 27       (  0.003,  -0.007,  -0.005)  (  0.004,  -0.006,  -0.002)  ( 0.00,  0.00,  0.00)
167:     bond    (  0.111,   0.117,  -0.410)  (  0.111,   0.118,  -0.407)  ( 0.00,  0.00,  0.12)
167:     angle   (  3.583,   2.700,   1.758)  (  3.583,   2.701,   1.758)  ( 0.01,  0.02,  0.00)
167:     strbnd  (  0.267,   0.398,   0.009)  (  0.267,   0.398,   0.009)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.217,  -0.162,   0.012)  (  0.217,  -0.162,   0.012)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -4.174,  -3.061,  -1.375)  ( -4.174,  -3.061,  -1.375)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 28       ( -0.011,  -0.006,   0.002)  ( -0.007,  -0.005,   0.002)  ( 0.00,  0.00,  0.00)
167:     bond    (  1.690,  -0.082,  -0.103)  (  1.693,  -0.082,  -0.103)  ( 0.20,  0.00,  0.00)
167:     angle   (  0.030,   0.569,   0.034)  (  0.030,   0.569,   0.035)  ( 0.00,  0.03,  0.00)
167:     strbnd  ( -1.242,   0.339,   0.433)  ( -1.242,   0.339,   0.433)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.001,  -0.311,   0.262)  (  0.001,  -0.311,   0.262)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.489,  -0.521,  -0.624)  ( -0.489,  -0.521,  -0.624)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: ok 10 # gradients 
167: ok 11 # energy 
167: ----------------------------------------------------------------------------------------
167:                                                                                         
167:   VALIDATE GRADIENTS : surdox02.xyz
167:                                                                                         
167:                                                                                         
167: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
167: ----------------------------------------------------------------------------------------
167:  1       (  0.013,  -0.116,  -0.042)  (  0.127,  -0.099,  -0.306)  ( 0.15,  0.20,  1.11)
167:     bond    (  2.996,  -0.181,   5.906)  (  3.000,  -0.170,   5.908)  ( 0.14,  0.21,  0.03)
167:     angle   ( -0.615,   0.021,  -2.208)  ( -0.614,   0.022,  -2.207)  ( 0.09,  0.00,  0.06)
167:     strbnd  ( 31.994,  -0.001,  12.086)  ( 31.994,  -0.002,  12.085)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.329,   0.014,  -0.811)  (  0.329,   0.014,  -0.811)  ( 0.00,  0.00,  0.01)
167:     oop     ( -0.655,  -0.027,   1.614)  ( -0.546,  -0.023,   1.348)  ( 7.08,  0.01, 16.52)
167:     vdw     ( -1.367,   0.002,  -0.677)  ( -1.367,   0.002,  -0.677)  ( 0.00,  0.00,  0.00)
167:     electro (-32.669,   0.057, -15.952)  (-32.669,   0.057, -15.952)  ( 0.00,  0.00,  0.00)
167:  2       (  4.052,   0.153,  -9.314)  (  3.390,   0.134,  -7.713)  (16.34,  0.28, 17.19)
167:     bond    (-24.654,  -0.013,  -8.873)  (-24.650,  -0.006,  -8.872)  ( 0.02,  0.01,  0.01)
167:     angle   ( 26.151,  -0.059,  14.095)  ( 26.154,  -0.057,  14.095)  ( 0.01,  0.01,  0.00)
167:     strbnd  ( -2.586,   0.026,  -2.810)  ( -2.588,   0.025,  -2.810)  ( 0.08,  0.00,  0.00)
167:     torsion (  1.175,   0.034,  -1.921)  (  1.175,   0.034,  -1.921)  ( 0.01,  0.00,  0.02)
167:     oop     (  3.967,   0.165,  -9.805)  (  3.300,   0.138,  -8.205)  (16.80,  0.44, 16.32)
167:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:  3       ( -8.105,  -1.860,  15.243)  ( -7.466,  -1.785,  13.960)  ( 7.89,  4.01,  8.42)
167:     bond    (  3.669,  20.808,   1.591)  (  3.675,  20.815,   1.593)  ( 0.15,  0.03,  0.11)
167:     angle   (-16.152,   8.087,  -6.190)  (-16.150,   8.089,  -6.189)  ( 0.01,  0.02,  0.01)
167:     strbnd  (-15.060, -18.986,  -5.342)  (-15.060, -18.986,  -5.342)  ( 0.00,  0.00,  0.00)
167:     torsion ( -4.535,   0.373,  10.304)  ( -4.535,   0.373,  10.304)  ( 0.00,  0.00,  0.00)
167:     oop     ( -4.284,  -0.802,   8.672)  ( -3.652,  -0.736,   7.386)  (14.76,  5.30, 14.82)
167:     vdw     (  4.304,  -0.146,   0.652)  (  4.304,  -0.146,   0.652)  ( 0.00,  0.00,  0.00)
167:     electro ( 23.952, -11.196,   5.555)  ( 23.952, -11.196,   5.555)  ( 0.00,  0.00,  0.00)
167:  4       (  0.007,   0.012,  -0.004)  (  0.009,   0.018,  -0.003)  ( 0.00,  0.01,  0.00)
167:     bond    (  1.917,   4.448,  -1.522)  (  1.918,   4.454,  -1.521)  ( 0.06,  0.13,  0.05)
167:     angle   (  0.657,  -0.203,   0.234)  (  0.657,  -0.203,   0.234)  ( 0.04,  0.00,  0.01)
167:     strbnd  (  0.365,   0.126,   0.367)  (  0.365,   0.126,   0.367)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -4.311,  -0.150,  -0.658)  ( -4.311,  -0.150,  -0.658)  ( 0.00,  0.00,  0.00)
167:     electro (  1.379,  -4.208,   1.576)  (  1.379,  -4.208,   1.576)  ( 0.00,  0.00,  0.00)
167:  5       (  3.820,   0.567,  -5.159)  (  3.587,   0.555,  -4.838)  ( 6.10,  0.68,  6.22)
167:     bond    (  2.147,   0.095,   1.594)  (  2.150,   0.095,   1.596)  ( 0.15,  0.00,  0.11)
167:     angle   (  0.148,  -1.267,  -0.124)  (  0.148,  -1.266,  -0.124)  ( 0.00,  0.05,  0.00)
167:     strbnd  (  0.091,   0.467,  -0.005)  (  0.091,   0.467,  -0.005)  ( 0.00,  0.00,  0.00)
167:     torsion (  2.813,  -0.764,  -3.745)  (  2.813,  -0.764,  -3.745)  ( 0.00,  0.00,  0.00)
167:     oop     (  1.624,   0.265,  -2.204)  (  1.388,   0.253,  -1.885)  (14.55,  0.34, 14.48)
167:     vdw     ( -0.057,   0.074,  -0.025)  ( -0.057,   0.074,  -0.025)  ( 0.00,  0.00,  0.00)
167:     electro ( -2.946,   1.696,  -0.650)  ( -2.946,   1.696,  -0.650)  ( 0.00,  0.00,  0.00)
167:  6       (  2.250,   1.416,  -5.425)  (  2.135,   1.350,  -5.124)  ( 5.11,  4.70,  5.54)
167:     bond    (  2.991,  -4.569,   0.099)  (  2.993,  -4.566,   0.099)  ( 0.05,  0.07,  0.00)
167:     angle   (  2.530,   1.664,   0.255)  (  2.530,   1.664,   0.256)  ( 0.02,  0.01,  0.00)
167:     strbnd  ( -0.003,   0.684,   0.085)  ( -0.003,   0.684,   0.085)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.969,   0.522,  -5.191)  (  0.969,   0.522,  -5.191)  ( 0.00,  0.00,  0.00)
167:     oop     (  1.003,   0.606,  -2.371)  (  0.886,   0.536,  -2.071)  (11.64,  4.24, 12.66)
167:     vdw     (  0.745,   0.835,   0.378)  (  0.745,   0.835,   0.378)  ( 0.00,  0.00,  0.00)
167:     electro ( -5.985,   1.676,   1.320)  ( -5.985,   1.676,   1.320)  ( 0.00,  0.00,  0.00)
167:  7       ( -0.036,   0.074,   0.033)  ( -0.035,   0.080,   0.034)  ( 0.01,  0.04,  0.00)
167:     bond    (  1.920,  -4.294,  -1.614)  (  1.922,  -4.288,  -1.613)  ( 0.06,  0.13,  0.05)
167:     angle   (  0.658,   0.204,   0.241)  (  0.659,   0.204,   0.242)  ( 0.04,  0.00,  0.01)
167:     strbnd  (  0.365,  -0.134,   0.362)  (  0.365,  -0.134,   0.361)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -4.313,   0.123,  -0.654)  ( -4.313,   0.123,  -0.654)  ( 0.00,  0.00,  0.00)
167:     electro (  1.333,   4.175,   1.698)  (  1.333,   4.175,   1.698)  ( 0.00,  0.00,  0.00)
167:  8       ( -8.181,   1.288,  15.260)  ( -7.542,   1.275,  13.976)  ( 7.82,  1.04,  8.42)
167:     bond    (  3.840, -20.844,   0.957)  (  3.846, -20.837,   0.959)  ( 0.14,  0.03,  0.17)
167:     angle   (-16.070,  -8.077,  -6.428)  (-16.068,  -8.075,  -6.428)  ( 0.01,  0.02,  0.01)
167:     strbnd  (-15.264,  18.971,  -4.788)  (-15.265,  18.971,  -4.788)  ( 0.00,  0.00,  0.00)
167:     torsion ( -4.529,  -0.723,  10.288)  ( -4.529,  -0.723,  10.288)  ( 0.00,  0.00,  0.00)
167:     oop     ( -4.291,   0.502,   8.691)  ( -3.658,   0.480,   7.404)  (14.75,  1.09, 14.81)
167:     vdw     (  4.302,   0.173,   0.657)  (  4.302,   0.173,   0.657)  ( 0.00,  0.00,  0.00)
167:     electro ( 23.831,  11.286,   5.883)  ( 23.831,  11.286,   5.883)  ( 0.00,  0.00,  0.00)
167:  9       (  3.858,  -0.382,  -5.148)  (  3.625,  -0.380,  -4.827)  ( 6.04,  0.06,  6.24)
167:     bond    (  2.181,  -0.120,   1.616)  (  2.185,  -0.120,   1.617)  ( 0.14,  0.00,  0.11)
167:     angle   (  0.134,   1.267,  -0.087)  (  0.134,   1.267,  -0.087)  ( 0.00,  0.05,  0.00)
167:     strbnd  (  0.096,  -0.466,  -0.019)  (  0.096,  -0.466,  -0.019)  ( 0.00,  0.00,  0.00)
167:     torsion (  2.804,   0.904,  -3.721)  (  2.804,   0.904,  -3.721)  ( 0.00,  0.00,  0.00)
167:     oop     (  1.627,  -0.183,  -2.211)  (  1.390,  -0.183,  -1.891)  (14.53,  0.02, 14.45)
167:     vdw     ( -0.056,  -0.074,  -0.027)  ( -0.056,  -0.074,  -0.027)  ( 0.00,  0.00,  0.00)
167:     electro ( -2.928,  -1.708,  -0.700)  ( -2.928,  -1.708,  -0.700)  ( 0.00,  0.00,  0.00)
167: 10       (  2.285,  -1.211,  -5.461)  (  2.169,  -1.148,  -5.158)  ( 5.07,  5.24,  5.54)
167:     bond    (  2.961,   4.619,   0.235)  (  2.962,   4.623,   0.235)  ( 0.05,  0.07,  0.00)
167:     angle   (  2.550,  -1.645,   0.209)  (  2.551,  -1.645,   0.209)  ( 0.02,  0.01,  0.00)
167:     strbnd  (  0.004,  -0.685,   0.065)  (  0.004,  -0.685,   0.065)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.973,  -0.360,  -5.204)  (  0.973,  -0.360,  -5.204)  ( 0.00,  0.00,  0.00)
167:     oop     (  1.009,  -0.526,  -2.388)  (  0.892,  -0.466,  -2.086)  (11.64,  3.15, 12.65)
167:     vdw     (  0.753,  -0.837,   0.354)  (  0.753,  -0.837,   0.354)  ( 0.00,  0.00,  0.00)
167:     electro ( -5.967,  -1.778,   1.269)  ( -5.967,  -1.778,   1.269)  ( 0.00,  0.00,  0.00)
167: ok 12 # gradients 
167: ok 13 # energy 
167: ----------------------------------------------------------------------------------------
167:                                                                                         
167:   VALIDATE GRADIENTS : valwou.xyz
167:                                                                                         
167:                                                                                         
167: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
167: ----------------------------------------------------------------------------------------
167:  1       ( -0.011,   0.008,  -0.002)  ( -0.007,   0.009,   0.001)  ( 0.00,  0.00,  0.00)
167:     bond    (-15.066,   0.590,  13.579)  (-15.064,   0.590,  13.581)  ( 0.02,  0.02,  0.01)
167:     angle   (  8.215,  21.265,  -1.187)  (  8.215,  21.265,  -1.186)  ( 0.01,  0.00,  0.09)
167:     strbnd  ( 13.283,   1.537, -11.705)  ( 13.283,   1.537, -11.705)  ( 0.00,  0.01,  0.00)
167:     torsion (  0.469,  -0.818,  -0.491)  (  0.469,  -0.818,  -0.491)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (-16.349, -14.076,  -9.889)  (-16.349, -14.076,  -9.889)  ( 0.00,  0.00,  0.00)
167:     electro (  9.439,  -8.489,   9.691)  (  9.439,  -8.489,   9.691)  ( 0.00,  0.00,  0.00)
167:  2       (  0.049,  -0.041,  -0.050)  (  0.056,  -0.038,  -0.044)  ( 0.03,  0.01,  0.03)
167:     bond    ( -1.989,  -5.973,   5.396)  ( -1.982,  -5.971,   5.401)  ( 0.31,  0.05,  0.09)
167:     angle   ( 12.171,  18.575,  -1.290)  ( 12.172,  18.576,  -1.289)  ( 0.01,  0.01,  0.12)
167:     strbnd  ( -6.382, -16.381,   1.658)  ( -6.383, -16.382,   1.658)  ( 0.01,  0.00,  0.03)
167:     torsion (  1.307,  -0.613,  -0.923)  (  1.307,  -0.613,  -0.923)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -4.101,   3.444,  -3.337)  ( -4.101,   3.444,  -3.336)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.957,   0.907,  -1.554)  ( -0.957,   0.907,  -1.554)  ( 0.00,  0.00,  0.00)
167:  3       ( -0.003,   0.017,   0.026)  ( -0.002,   0.019,   0.030)  ( 0.00,  0.00,  0.01)
167:     bond    (  0.886,  -2.327,  -4.505)  (  0.886,  -2.325,  -4.501)  ( 0.02,  0.05,  0.10)
167:     angle   ( -9.163,  -7.934,   2.295)  ( -9.162,  -7.934,   2.295)  ( 0.01,  0.00,  0.00)
167:     strbnd  (  0.035,  -1.201,  -0.650)  (  0.035,  -1.201,  -0.650)  ( 0.00,  0.01,  0.01)
167:     torsion ( -1.075,   0.327,  -0.381)  ( -1.075,   0.327,  -0.381)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -2.954,   9.054,  -3.466)  ( -2.954,   9.054,  -3.466)  ( 0.00,  0.00,  0.00)
167:     electro ( 12.267,   2.097,   6.733)  ( 12.267,   2.097,   6.733)  ( 0.00,  0.00,  0.00)
167:  4       ( -0.066,   0.014,   0.013)  ( -0.060,   0.015,   0.014)  ( 0.04,  0.00,  0.00)
167:     bond    ( -1.807,   0.231,   0.350)  ( -1.802,   0.231,   0.350)  ( 0.32,  0.00,  0.01)
167:     angle   ( -2.264, -11.394,  -4.125)  ( -2.264, -11.394,  -4.124)  ( 0.00,  0.01,  0.01)
167:     strbnd  ( -1.121,  -0.534,   0.432)  ( -1.121,  -0.534,   0.432)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.219,   0.087,   1.070)  (  0.219,   0.087,   1.070)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -5.300,   9.953, -11.232)  ( -5.300,   9.953, -11.232)  ( 0.00,  0.00,  0.00)
167:     electro ( 10.207,   1.672,  13.519)  ( 10.207,   1.672,  13.519)  ( 0.00,  0.00,  0.00)
167:  5       (  0.024,  -0.012,   0.001)  (  0.031,  -0.008,   0.006)  ( 0.02,  0.00,  0.00)
167:     bond    ( -2.431,  13.799,  -9.128)  ( -2.426,  13.802,  -9.124)  ( 0.21,  0.02,  0.05)
167:     angle   (-13.514, -12.442,   3.433)  (-13.512, -12.439,   3.435)  ( 0.02,  0.02,  0.07)
167:     strbnd  ( 10.215,   7.073,   7.282)  ( 10.214,   7.072,   7.280)  ( 0.01,  0.02,  0.02)
167:     torsion ( -0.178,  -0.134,  -0.164)  ( -0.178,  -0.134,  -0.164)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -3.406,   1.106,   0.053)  ( -3.406,   1.106,   0.053)  ( 0.00,  0.00,  0.00)
167:     electro (  9.338,  -9.414,  -1.474)  (  9.338,  -9.414,  -1.474)  ( 0.00,  0.00,  0.00)
167:  6       ( -0.012,   0.002,   0.003)  ( -0.008,   0.003,   0.004)  ( 0.01,  0.00,  0.00)
167:     bond    (  1.492,  -0.032,   0.115)  (  1.496,  -0.032,   0.116)  ( 0.29,  0.00,  0.00)
167:     angle   (  0.143,   3.198,  -0.968)  (  0.143,   3.199,  -0.968)  ( 0.00,  0.02,  0.08)
167:     strbnd  (  0.299,   1.855,  -1.309)  (  0.299,   1.855,  -1.309)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.068,   0.501,   1.024)  ( -0.068,   0.501,   1.024)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.080,  -0.124,  -0.022)  (  0.080,  -0.124,  -0.022)  ( 0.00,  0.00,  0.00)
167:     electro ( -1.958,  -5.395,   1.163)  ( -1.958,  -5.395,   1.163)  ( 0.00,  0.00,  0.00)
167:  7       ( -0.003,   0.001,  -0.011)  ( -0.002,   0.003,  -0.008)  ( 0.00,  0.00,  0.00)
167:     bond    (  1.037,  -1.995,  -2.372)  (  1.037,  -1.994,  -2.370)  ( 0.04,  0.08,  0.10)
167:     angle   (  7.753,   4.193,  -0.134)  (  7.753,   4.193,  -0.134)  ( 0.01,  0.01,  0.00)
167:     strbnd  ( -1.461,   4.844,   2.139)  ( -1.461,   4.844,   2.139)  ( 0.01,  0.00,  0.00)
167:     torsion ( -0.878,  -0.004,  -0.381)  ( -0.878,  -0.004,  -0.381)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -4.671,  -0.499,  -3.122)  ( -4.671,  -0.499,  -3.122)  ( 0.00,  0.00,  0.00)
167:     electro ( -1.784,  -6.538,   3.859)  ( -1.784,  -6.538,   3.859)  ( 0.00,  0.00,  0.00)
167:  8       ( -0.032,  -0.009,  -0.062)  ( -0.026,  -0.003,  -0.056)  ( 0.02,  0.01,  0.04)
167:     bond    ( 28.388,  -6.583,  25.817)  ( 28.392,  -6.579,  25.822)  ( 0.01,  0.07,  0.02)
167:     angle   ( 20.852, -42.145,   9.628)  ( 20.855, -42.143,   9.631)  ( 0.01,  0.01,  0.03)
167:     strbnd  (-22.777,  13.988,  -5.015)  (-22.779,  13.987,  -5.016)  ( 0.01,  0.01,  0.03)
167:     torsion (  0.321,   0.437,   0.397)  (  0.321,   0.437,   0.397)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -4.001,  -4.773,  -0.834)  ( -4.001,  -4.773,  -0.833)  ( 0.00,  0.00,  0.01)
167:     electro (-22.814,  39.068, -30.055)  (-22.814,  39.068, -30.055)  ( 0.00,  0.00,  0.00)
167:  9       ( -0.012,  -0.016,   0.015)  ( -0.010,  -0.015,   0.019)  ( 0.00,  0.00,  0.01)
167:     bond    (  4.898,   2.108, -13.219)  (  4.899,   2.108, -13.215)  ( 0.01,  0.00,  0.03)
167:     angle   (-15.468,  14.840,  -3.366)  (-15.467,  14.841,  -3.366)  ( 0.00,  0.01,  0.00)
167:     strbnd  (  2.100,  -0.558,   3.958)  (  2.100,  -0.557,   3.957)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.237,   0.413,  -0.022)  ( -0.237,   0.413,  -0.022)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  2.287,  -9.907,  -2.057)  (  2.287,  -9.907,  -2.057)  ( 0.01,  0.00,  0.00)
167:     electro (  6.408,  -6.914,  14.722)  (  6.408,  -6.914,  14.722)  ( 0.00,  0.00,  0.00)
167: 10       (  0.005,   0.002,  -0.008)  (  0.006,   0.006,  -0.007)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.622,   8.610,  -1.046)  ( -0.621,   8.614,  -1.046)  ( 0.00,  0.05,  0.01)
167:     angle   ( -2.836,  -0.584,  -3.128)  ( -2.836,  -0.584,  -3.128)  ( 0.03,  0.00,  0.03)
167:     strbnd  (  3.566,  -9.587,   2.403)  (  3.565,  -9.587,   2.403)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.022,  -0.015,  -0.134)  (  0.022,  -0.015,  -0.134)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -6.627,  -4.176,  -5.962)  ( -6.626,  -4.176,  -5.962)  ( 0.00,  0.00,  0.00)
167:     electro (  6.502,   5.754,   7.859)  (  6.502,   5.754,   7.859)  ( 0.00,  0.00,  0.00)
167: 11       (  0.002,   0.013,   0.066)  (  0.007,   0.019,   0.072)  ( 0.00,  0.01,  0.04)
167:     bond    (  1.773,   2.387,  -5.000)  (  1.776,   2.390,  -4.997)  ( 0.16,  0.12,  0.06)
167:     angle   (  0.727,  15.938,  -2.297)  (  0.730,  15.941,  -2.294)  ( 0.20,  0.02,  0.12)
167:     strbnd  (  3.999,   0.582,   7.350)  (  3.998,   0.581,   7.349)  ( 0.02,  0.04,  0.01)
167:     torsion (  0.269,  -0.168,  -0.155)  (  0.269,  -0.168,  -0.155)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (-12.090,  -5.836, -10.984)  (-12.090,  -5.836, -10.983)  ( 0.00,  0.00,  0.00)
167:     electro (  5.324, -12.890,  11.152)  (  5.324, -12.890,  11.152)  ( 0.00,  0.00,  0.00)
167: 12       (  0.053,   0.047,   0.012)  (  0.059,   0.054,   0.016)  ( 0.03,  0.03,  0.00)
167:     bond    ( 12.471,   8.264,  -8.201)  ( 12.475,   8.269,  -8.198)  ( 0.03,  0.05,  0.04)
167:     angle   ( -4.431,  -3.492,  12.184)  ( -4.428,  -3.490,  12.186)  ( 0.05,  0.06,  0.02)
167:     strbnd  ( -0.524,  -0.135,  -1.592)  ( -0.525,  -0.135,  -1.593)  ( 0.04,  0.01,  0.09)
167:     torsion (  0.324,   0.205,  -0.795)  (  0.324,   0.205,  -0.795)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -2.153,  -5.825,  12.012)  ( -2.153,  -5.825,  12.012)  ( 0.01,  0.00,  0.00)
167:     electro ( -5.634,   1.031, -13.597)  ( -5.634,   1.031, -13.597)  ( 0.00,  0.00,  0.00)
167: 13       ( -0.033,   0.044,  -0.066)  ( -0.028,   0.050,  -0.060)  ( 0.02,  0.02,  0.04)
167:     bond    ( -1.022,   2.769, -11.636)  ( -1.018,   2.773, -11.632)  ( 0.38,  0.15,  0.04)
167:     angle   (  2.667,  -0.692,   3.803)  (  2.669,  -0.690,   3.805)  ( 0.08,  0.14,  0.05)
167:     strbnd  ( -0.724,  -0.340,  -1.109)  ( -0.725,  -0.341,  -1.109)  ( 0.06,  0.02,  0.06)
167:     torsion (  0.405,   1.098,  -1.920)  (  0.405,   1.098,  -1.920)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -1.359,  -2.790,  10.796)  ( -1.359,  -2.790,  10.796)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 14       (  0.007,  -0.025,   0.013)  (  0.013,  -0.021,   0.019)  ( 0.00,  0.01,  0.01)
167:     bond    ( 11.175, -20.171,  13.213)  ( 11.179, -20.168,  13.217)  ( 0.04,  0.02,  0.03)
167:     angle   (  2.571,   9.759,   3.518)  (  2.573,   9.761,   3.520)  ( 0.08,  0.02,  0.06)
167:     strbnd  ( -2.280,   2.701,  -3.055)  ( -2.280,   2.700,  -3.056)  ( 0.02,  0.05,  0.02)
167:     torsion ( -0.110,  -0.615,   0.673)  ( -0.110,  -0.615,   0.673)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.374,  10.869,  -0.069)  (  0.374,  10.869,  -0.069)  ( 0.01,  0.00,  0.00)
167:     electro (-11.723,  -2.568, -14.267)  (-11.723,  -2.568, -14.267)  ( 0.00,  0.00,  0.00)
167: 15       (  0.013,  -0.037,  -0.024)  (  0.019,  -0.032,  -0.019)  ( 0.01,  0.02,  0.01)
167:     bond    ( -3.351, -12.352,  -4.364)  ( -3.347, -12.347,  -4.360)  ( 0.12,  0.03,  0.09)
167:     angle   (  1.262,   4.111,   2.963)  (  1.264,   4.113,   2.965)  ( 0.16,  0.05,  0.07)
167:     strbnd  (  0.414,  -1.051,   0.669)  (  0.413,  -1.052,   0.669)  ( 0.03,  0.07,  0.04)
167:     torsion (  0.521,  -2.349,  -0.078)  (  0.521,  -2.349,  -0.078)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.168,  11.604,   0.785)  (  1.168,  11.604,   0.785)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 16       ( -0.001,   0.047,  -0.037)  (  0.003,   0.054,  -0.031)  ( 0.00,  0.03,  0.02)
167:     bond    (-10.254,  10.924,  12.441)  (-10.251,  10.929,  12.446)  ( 0.03,  0.04,  0.03)
167:     angle   ( 11.832,  -5.832,   1.537)  ( 11.834,  -5.830,   1.540)  ( 0.02,  0.04,  0.14)
167:     strbnd  (  3.079,  -1.593,  -1.792)  (  3.078,  -1.593,  -1.793)  ( 0.04,  0.03,  0.03)
167:     torsion ( -0.671,   0.413,   0.394)  ( -0.671,   0.413,   0.394)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( 10.629,  -5.544,  -4.869)  ( 10.629,  -5.544,  -4.869)  ( 0.00,  0.00,  0.00)
167:     electro (-14.616,   1.679,  -7.750)  (-14.616,   1.679,  -7.750)  ( 0.00,  0.00,  0.00)
167: 17       (  0.044,  -0.013,  -0.069)  (  0.050,  -0.007,  -0.064)  ( 0.02,  0.01,  0.04)
167:     bond    (-11.600,   1.517,   0.561)  (-11.596,   1.521,   0.565)  ( 0.04,  0.28,  0.22)
167:     angle   (  4.361,   1.078,   1.006)  (  4.363,   1.080,   1.008)  ( 0.05,  0.19,  0.21)
167:     strbnd  ( -1.688,  -0.141,  -0.612)  ( -1.689,  -0.142,  -0.613)  ( 0.04,  0.01,  0.05)
167:     torsion ( -1.913,   0.730,   0.873)  ( -1.913,   0.730,   0.873)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( 10.884,  -3.197,  -1.897)  ( 10.884,  -3.196,  -1.897)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 18       ( -0.052,   0.010,   0.016)  ( -0.046,   0.015,   0.022)  ( 0.03,  0.01,  0.01)
167:     bond    ( -8.989,  -3.786,  -7.821)  ( -8.985,  -3.782,  -7.817)  ( 0.04,  0.10,  0.05)
167:     angle   ( -7.201,  -4.293,  -6.623)  ( -7.199,  -4.291,  -6.620)  ( 0.03,  0.05,  0.03)
167:     strbnd  (  0.874,   0.570,   0.666)  (  0.873,   0.569,   0.665)  ( 0.06,  0.05,  0.05)
167:     torsion (  3.308,   1.707,   2.879)  (  3.308,   1.708,   2.879)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( 11.956,   5.812,  10.915)  ( 11.956,   5.812,  10.915)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 19       ( -0.010,  -0.054,  -0.000)  ( -0.010,  -0.051,   0.000)  ( 0.00,  0.02,  0.00)
167:     bond    (  0.153,   1.775,  -0.001)  (  0.153,   1.779,  -0.001)  ( 0.00,  0.19,  0.00)
167:     angle   (  0.670,  -0.060,  -4.842)  (  0.670,  -0.060,  -4.841)  ( 0.03,  0.00,  0.01)
167:     strbnd  (  0.815,   0.040,  -1.119)  (  0.815,   0.040,  -1.119)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.405,   0.035,   0.864)  ( -0.405,   0.035,   0.864)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -1.243,  -1.845,   5.098)  ( -1.243,  -1.845,   5.098)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 20       ( -0.030,   0.008,  -0.000)  ( -0.027,   0.009,   0.001)  ( 0.01,  0.00,  0.00)
167:     bond    (  1.090,  -0.510,  -0.354)  (  1.093,  -0.510,  -0.354)  ( 0.24,  0.03,  0.01)
167:     angle   ( -1.149,   1.385,  -5.542)  ( -1.148,   1.385,  -5.542)  ( 0.01,  0.03,  0.01)
167:     strbnd  (  0.136,   1.058,  -0.892)  (  0.136,   1.058,  -0.892)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.156,  -0.327,  -0.012)  ( -0.156,  -0.327,  -0.012)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.048,  -1.599,   6.800)  (  0.048,  -1.599,   6.800)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 21       (  0.026,  -0.047,   0.017)  (  0.027,  -0.045,   0.018)  ( 0.00,  0.01,  0.00)
167:     bond    ( -1.201,   2.098,  -1.005)  ( -1.200,   2.100,  -1.004)  ( 0.06,  0.10,  0.05)
167:     angle   (  1.262,  -0.296,  -2.127)  (  1.262,  -0.296,  -2.126)  ( 0.04,  0.01,  0.02)
167:     strbnd  (  0.580,  -0.948,  -0.176)  (  0.580,  -0.948,  -0.176)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.425,  -0.185,   0.120)  ( -0.425,  -0.185,   0.120)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.190,  -0.716,   3.204)  ( -0.190,  -0.716,   3.204)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 22       ( -0.010,   0.005,   0.009)  ( -0.009,   0.007,   0.011)  ( 0.00,  0.00,  0.00)
167:     bond    (  1.021,  -1.244,  -1.972)  (  1.022,  -1.244,  -1.970)  ( 0.05,  0.07,  0.10)
167:     angle   (  0.097,   2.258,  -1.376)  (  0.097,   2.259,  -1.375)  ( 0.00,  0.02,  0.01)
167:     strbnd  ( -0.623,   0.860,   0.374)  ( -0.623,   0.860,   0.374)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.785,  -0.995,   0.221)  ( -0.785,  -0.995,   0.221)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.280,  -0.873,   2.761)  (  0.280,  -0.873,   2.761)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 23       ( -0.000,  -0.002,  -0.005)  (  0.003,  -0.001,  -0.004)  ( 0.00,  0.00,  0.00)
167:     bond    ( -2.170,   0.852,   0.493)  ( -2.167,   0.853,   0.494)  ( 0.13,  0.04,  0.01)
167:     angle   ( -2.709,  -4.551,  -4.037)  ( -2.709,  -4.550,  -4.036)  ( 0.00,  0.01,  0.01)
167:     strbnd  (  0.176,  -2.037,   0.838)  (  0.176,  -2.037,   0.838)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.238,   0.878,  -0.470)  (  0.238,   0.878,  -0.470)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  4.466,   4.856,   3.170)  (  4.466,   4.856,   3.170)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 24       ( -0.002,   0.009,  -0.015)  ( -0.001,   0.010,  -0.012)  ( 0.00,  0.00,  0.00)
167:     bond    (  0.707,   0.613,  -2.070)  (  0.707,   0.614,  -2.067)  ( 0.02,  0.02,  0.14)
167:     angle   ( -4.504,  -2.559,  -2.301)  ( -4.503,  -2.559,  -2.301)  ( 0.01,  0.02,  0.01)
167:     strbnd  (  0.695,  -2.064,   0.376)  (  0.695,  -2.064,   0.376)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.221,  -0.053,  -0.091)  ( -0.221,  -0.053,  -0.091)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  3.321,   4.072,   4.071)  (  3.321,   4.072,   4.071)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 25       ( -0.009,  -0.007,  -0.002)  ( -0.007,  -0.005,  -0.001)  ( 0.00,  0.00,  0.00)
167:     bond    ( -1.648,  -1.647,   1.112)  ( -1.647,  -1.646,   1.112)  ( 0.08,  0.08,  0.06)
167:     angle   (  1.712,  -2.113,  -0.592)  (  1.713,  -2.113,  -0.591)  ( 0.02,  0.01,  0.03)
167:     strbnd  (  0.745,   0.180,  -0.903)  (  0.745,   0.180,  -0.903)  ( 0.00,  0.00,  0.00)
167:     torsion ( -1.112,   0.821,  -0.431)  ( -1.112,   0.821,  -0.431)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.294,   2.752,   0.812)  (  0.294,   2.752,   0.812)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 26       ( -0.008,   0.000,   0.010)  ( -0.007,   0.001,   0.012)  ( 0.00,  0.00,  0.00)
167:     bond    (  1.332,  -1.438,  -1.930)  (  1.333,  -1.438,  -1.928)  ( 0.06,  0.06,  0.09)
167:     angle   ( -0.781,  -2.060,   0.995)  ( -0.781,  -2.059,   0.995)  ( 0.03,  0.02,  0.03)
167:     strbnd  ( -0.923,   0.023,   0.780)  ( -0.923,   0.023,   0.780)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.202,   0.234,  -0.314)  ( -0.202,   0.234,  -0.314)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.566,   3.241,   0.479)  (  0.566,   3.241,   0.479)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 27       (  0.005,  -0.016,   0.014)  (  0.006,  -0.015,   0.017)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.381,  -0.596,   1.972)  ( -0.381,  -0.596,   1.975)  ( 0.00,  0.02,  0.15)
167:     angle   ( -5.129,   2.087,  -0.360)  ( -5.128,   2.087,  -0.360)  ( 0.01,  0.02,  0.00)
167:     strbnd  ( -1.239,   1.214,   0.126)  ( -1.239,   1.214,   0.126)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.569,  -0.651,  -0.087)  (  0.569,  -0.651,  -0.087)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  6.185,  -2.069,  -1.637)  (  6.186,  -2.069,  -1.637)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 28       (  0.001,  -0.026,  -0.001)  (  0.001,  -0.023,   0.000)  ( 0.00,  0.01,  0.00)
167:     bond    (  0.029,   2.103,  -0.090)  (  0.029,   2.106,  -0.090)  ( 0.00,  0.16,  0.00)
167:     angle   ( -3.823,   0.096,   0.999)  ( -3.823,   0.096,   0.999)  ( 0.02,  0.00,  0.05)
167:     strbnd  ( -1.408,   0.111,   1.022)  ( -1.408,   0.111,   1.022)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.186,  -0.014,  -0.265)  (  0.186,  -0.014,  -0.265)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  5.016,  -2.322,  -1.666)  (  5.016,  -2.322,  -1.666)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  7       ( -2.162, -14.129, -24.316)  ( -2.161, -14.129, -24.314)  ( 0.04,  0.01,  0.01)
168:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
168:     angle   (  1.840,  -0.299,  -0.578)  (  1.840,  -0.299,  -0.578)  ( 0.02,  0.01,  0.01)
168:     strbnd  ( -1.909,   0.172,   0.297)  ( -1.909,   0.172,   0.297)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.133,   0.077)  (  0.000,  -0.133,   0.077)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  8       ( 27.568,  -1.841,  -1.569)  ( 27.570,  -1.840,  -1.569)  ( 0.01,  0.04,  0.04)
168:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
168:     angle   ( -0.000,  -1.856,  -0.010)  (  0.000,  -1.856,  -0.009)  ( 0.00,  0.03,  0.00)
168:     strbnd  (  0.304,   1.915,  -0.000)  (  0.304,   1.915,  -0.000)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,  -0.469)  (  0.000,   0.000,  -0.469)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  9       (-11.584,  11.851,  21.981)  (-11.583,  11.852,  21.983)  ( 0.01,  0.01,  0.01)
168:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
168:     angle   ( -0.885,  -1.619,   0.574)  ( -0.885,  -1.619,   0.574)  ( 0.03,  0.02,  0.01)
168:     strbnd  (  0.798,   1.743,  -0.296)  (  0.798,   1.743,  -0.296)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.382,   0.135,  -0.234)  ( -0.382,   0.135,  -0.234)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 10       (-10.930,   9.420, -22.678)  (-10.929,   9.421, -22.676)  ( 0.01,  0.01,  0.01)
168:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
168:     angle   ( -0.882,  -1.631,  -0.581)  ( -0.882,  -1.630,  -0.581)  ( 0.03,  0.02,  0.01)
168:     strbnd  (  0.799,   1.742,   0.299)  (  0.799,   1.742,   0.299)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.001,  -0.000,  -0.001)  (  0.001,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 11       ( 27.570,   2.262,   0.809)  ( 27.573,   2.263,   0.809)  ( 0.01,  0.03,  0.05)
168:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
168:     angle   (  0.001,   0.926,   1.618)  (  0.001,   0.926,   1.618)  ( 0.00,  0.04,  0.03)
168:     strbnd  (  0.305,  -0.958,  -1.660)  (  0.305,  -0.958,  -1.660)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,   0.407,  -0.235)  ( -0.000,   0.407,  -0.235)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 12       (-10.972,  14.917, -19.519)  (-10.971,  14.918, -19.517)  ( 0.01,  0.01,  0.01)
168:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
168:     angle   ( -0.889,   1.308,   1.118)  ( -0.889,   1.309,   1.119)  ( 0.03,  0.03,  0.02)
168:     strbnd  (  0.798,  -1.129,  -1.364)  (  0.798,  -1.129,  -1.364)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 13       (-11.601, -24.965,   0.763)  (-11.600, -24.963,   0.763)  ( 0.01,  0.01,  0.05)
168:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
168:     angle   ( -0.888,   0.315,   1.704)  ( -0.887,   0.315,   1.705)  ( 0.03,  0.00,  0.03)
168:     strbnd  (  0.799,  -0.614,  -1.659)  (  0.799,  -0.614,  -1.659)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.381,   0.135,  -0.233)  ( -0.381,   0.135,  -0.233)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: ok 10 # gradients 
168: ok 11 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       (-94.849, 134.077, -232.261)  (-94.840, 134.085, -232.257)  ( 0.01,  0.01,  0.00)
168:     bond    (-98.615, 139.541, -241.698)  (-98.607, 139.548, -241.694)  ( 0.01,  0.01,  0.00)
168:     angle   (-17.077,  24.042, -41.606)  (-17.076,  24.043, -41.605)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( 20.845, -29.505,  51.044)  ( 20.845, -29.506,  51.044)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.002,  -0.001,  -0.002)  ( -0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  2       (267.229,   1.097,  -1.985)  (267.239,   1.101,  -1.981)  ( 0.00,  0.37,  0.20)
168:     bond    (324.092,   0.002,   0.003)  (324.102,   0.005,   0.006)  ( 0.00,  0.00,  0.00)
168:     angle   ( -7.067,  -9.049,  15.613)  ( -7.066,  -9.047,  15.614)  ( 0.02,  0.02,  0.01)
168:     strbnd  (-54.347,   8.796, -15.254)  (-54.349,   8.796, -15.255)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,   0.001,  -0.000)  (  0.000,   0.001,  -0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  3       (-92.994, -251.370,  -1.993)  (-92.989, -251.361,  -1.989)  ( 0.01,  0.00,  0.20)
168:     bond    (-108.221, -305.529,  -0.016)  (-108.218, -305.520,  -0.013)  ( 0.00,  0.00,  0.00)
168:     angle   ( 10.871,   3.619,  15.618)  ( 10.872,   3.621,  15.619)  ( 0.01,  0.04,  0.01)
168:     strbnd  (  9.840,  54.186, -15.254)  (  9.840,  54.184, -15.254)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.001,  -0.000,   0.003)  (  0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  4       (-92.879, 127.455, 216.653)  (-92.874, 127.461, 216.661)  ( 0.01,  0.00,  0.00)
168:     bond    (-107.982, 152.791, 264.561)  (-107.978, 152.795, 264.568)  ( 0.00,  0.00,  0.00)
168:     angle   ( 10.825, -15.317,   4.617)  ( 10.827, -15.315,   4.619)  ( 0.01,  0.01,  0.03)
168:     strbnd  (  9.798, -13.878, -54.515)  (  9.798, -13.878, -54.516)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  5       ( 14.020,  33.684,  -0.046)  ( 14.021,  33.686,  -0.046)  ( 0.01,  0.01,  0.00)
168:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
168:     angle   (  2.316,   0.820,  -0.007)  (  2.316,   0.820,  -0.006)  ( 0.02,  0.00,  0.00)
168:     strbnd  ( 13.869,   5.072,   0.000)  ( 13.869,   5.072,   0.000)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  6       (  7.090, -16.075,  27.884)  (  7.091, -16.074,  27.886)  ( 0.01,  0.01,  0.01)
168:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
168:     angle   (  2.371,  -0.399,   0.737)  (  2.371,  -0.398,   0.737)  ( 0.02,  0.01,  0.01)
168:     strbnd  ( 13.871,  -2.534,   4.389)  ( 13.871,  -2.534,   4.389)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  7       ( 14.159, -16.794, -29.238)  ( 14.160, -16.793, -29.236)  ( 0.01,  0.01,  0.01)
168:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
168:     angle   (  2.378,  -0.394,  -0.743)  (  2.378,  -0.394,  -0.742)  ( 0.02,  0.01,  0.01)
168:     strbnd  ( 13.873,  -2.530,  -4.384)  ( 13.873,  -2.530,  -4.384)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.001,   0.000)  (  0.000,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  8       ( 27.412, -19.113,  -1.101)  ( 27.414, -19.112,  -1.100)  ( 0.01,  0.00,  0.05)
168:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
168:     angle   ( -0.000,  -2.447,  -0.010)  (  0.000,  -2.447,  -0.009)  ( 0.00,  0.02,  0.00)
168:     strbnd  (  0.148, -14.767,  -0.000)  (  0.148, -14.767,  -0.000)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  9       (-19.291,  -2.738,  27.067)  (-19.291,  -2.737,  27.069)  ( 0.00,  0.04,  0.01)
168:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
168:     angle   ( -1.157,  -2.100,   0.740)  ( -1.157,  -2.099,   0.740)  ( 0.03,  0.02,  0.01)
168:     strbnd  ( -7.020, -12.229,   4.389)  ( -7.020, -12.229,   4.389)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 10       (-19.016,  -5.032, -27.526)  (-19.015,  -5.031, -27.524)  ( 0.00,  0.02,  0.01)
168:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
168:     angle   ( -1.152,  -2.108,  -0.747)  ( -1.152,  -2.107,  -0.746)  ( 0.03,  0.02,  0.01)
168:     strbnd  ( -7.016, -12.234,  -4.385)  ( -7.016, -12.234,  -4.385)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.001,  -0.000,  -0.000)  (  0.001,  -0.000,  -0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 11       ( 27.424,  10.493,  15.999)  ( 27.427,  10.494,  16.000)  ( 0.01,  0.01,  0.00)
168:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
168:     angle   (  0.001,   1.221,   2.128)  (  0.001,   1.221,   2.129)  ( 0.00,  0.03,  0.02)
168:     strbnd  (  0.159,   7.384,  12.785)  (  0.159,   7.384,  12.785)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 12       (-19.052,  26.348,  -9.424)  (-19.051,  26.349,  -9.422)  ( 0.00,  0.00,  0.02)
168:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
168:     angle   ( -1.160,   1.692,   1.451)  ( -1.160,   1.692,   1.451)  ( 0.03,  0.02,  0.01)
168:     strbnd  ( -7.010,   9.918,   8.398)  ( -7.010,   9.918,   8.398)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 13       (-19.294, -22.069,  15.940)  (-19.293, -22.066,  15.940)  ( 0.00,  0.01,  0.00)
168:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
168:     angle   ( -1.157,   0.410,   2.200)  ( -1.157,   0.410,   2.200)  ( 0.03,  0.00,  0.02)
168:     strbnd  ( -7.007,   2.322,  12.788)  ( -7.007,   2.322,  12.788)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.002,  -0.001,   0.001)  (  0.002,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: ok 12 # gradients 
168: ok 13 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       ( -0.184,  -0.156,  -0.178)  ( -0.177,  -0.152,  -0.170)  ( 0.15,  0.07,  0.14)
168:     bond    ( 12.215,  -2.444,  -2.026)  ( 12.221,  -2.440,  -2.025)  ( 0.05,  0.20,  0.04)
168:     angle   (  1.031,   1.567,   0.419)  (  1.033,   1.568,   0.419)  ( 0.17,  0.09,  0.01)
168:     strbnd  ( -0.276,   0.595,   0.200)  ( -0.276,   0.595,   0.200)  ( 0.00,  0.01,  0.00)
168:     torsion (  0.026,  -0.060,   0.134)  (  0.026,  -0.060,   0.135)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.003,   0.011,  -0.034)  ( -0.003,   0.009,  -0.028)  ( 0.00,  0.00,  0.02)
168:     vdw     (-13.301,   0.238,   1.219)  (-13.301,   0.238,   1.219)  ( 0.00,  0.00,  0.00)
168:     electro (  0.124,  -0.062,  -0.090)  (  0.124,  -0.062,  -0.090)  ( 0.00,  0.00,  0.00)
168:  2       (  0.845,  -0.251,   0.614)  (  0.850,  -0.233,   0.583)  ( 0.37,  0.45,  1.87)
168:     bond    (  8.668,  -9.202,  -3.657)  (  8.674,  -9.197,  -3.657)  ( 0.06,  0.06,  0.02)
168:     angle   (  1.060,  -2.236,  -0.846)  (  1.061,  -2.234,  -0.846)  ( 0.15,  0.07,  0.02)
168:     strbnd  ( -2.306,  -0.145,   0.209)  ( -2.306,  -0.145,   0.209)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.009,  -0.028,   0.128)  ( -0.009,  -0.028,   0.129)  ( 0.00,  0.00,  0.02)
168:     oop     (  0.014,  -0.067,   0.198)  (  0.012,  -0.056,   0.166)  ( 0.00,  0.08,  0.65)
168:     vdw     ( -6.352,  11.522,   4.701)  ( -6.352,  11.522,   4.701)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.230,  -0.094,  -0.119)  ( -0.230,  -0.094,  -0.119)  ( 0.00,  0.00,  0.00)
168:  3       (  0.073,   0.716,   1.596)  (  0.084,   0.707,   1.644)  ( 0.08,  0.65,  3.02)
168:     bond    ( -6.462, -14.039,  -4.598)  ( -6.457, -14.034,  -4.597)  ( 0.08,  0.04,  0.02)
168:     angle   (  4.729,   7.796,   2.474)  (  4.731,   7.798,   2.474)  ( 0.04,  0.02,  0.01)
168:     strbnd  (  3.737,  -3.706,  -1.522)  (  3.737,  -3.707,  -1.522)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.300,  -2.114,   5.663)  (  0.300,  -2.114,   5.664)  ( 0.00,  0.01,  0.02)
168:     oop     ( -0.022,   0.095,  -0.277)  ( -0.019,   0.079,  -0.231)  ( 0.01,  0.15,  1.28)
168:     vdw     ( -2.173,  13.069,   0.311)  ( -2.172,  13.069,   0.311)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.037,  -0.384,  -0.455)  ( -0.037,  -0.384,  -0.455)  ( 0.00,  0.00,  0.00)
168:  4       ( -1.358,  -0.473,  -0.649)  ( -1.353,  -0.260,  -0.780)  ( 0.39, 10.03,  8.48)
168:     bond    ( -4.734,   2.347,   1.095)  ( -4.729,   2.352,   1.096)  ( 0.11,  0.20,  0.07)
168:     angle   (-10.062,  -2.611,   4.140)  (-10.060,  -2.609,   4.140)  ( 0.02,  0.07,  0.01)
168:     strbnd  (  3.811,   0.602,   0.274)  (  3.811,   0.601,   0.274)  ( 0.00,  0.01,  0.00)
168:     torsion ( -0.109,   2.386,  -1.969)  ( -0.109,   2.387,  -1.968)  ( 0.00,  0.01,  0.06)
168:     oop     (  0.013,  -1.116,   0.755)  (  0.011,  -0.910,   0.622)  ( 0.00, 18.44, 10.07)
168:     vdw     (  9.138,  -2.304,  -5.262)  (  9.139,  -2.304,  -5.262)  ( 0.00,  0.00,  0.00)
168:     electro (  0.584,   0.223,   0.317)  (  0.584,   0.223,   0.317)  ( 0.00,  0.00,  0.00)
168:  5       ( -0.945,  -0.437,  -0.547)  ( -0.950,  -0.380,  -0.686)  ( 0.41,  2.50,  7.61)
168:     bond    ( -9.877,  12.321,   6.024)  ( -9.872,  12.326,   6.025)  ( 0.05,  0.04,  0.01)
168:     angle   (  0.777,  -3.545,  -1.191)  (  0.779,  -3.544,  -1.191)  ( 0.13,  0.04,  0.02)
168:     strbnd  (  3.218,   2.140,   0.609)  (  3.218,   2.140,   0.609)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.010,   0.739,  -2.169)  (  0.010,   0.739,  -2.168)  ( 0.00,  0.01,  0.06)
168:     oop     (  0.069,  -0.304,   0.854)  (  0.058,  -0.253,   0.713)  ( 0.08,  1.53, 12.07)
168:     vdw     (  4.433, -11.904,  -4.594)  (  4.433, -11.904,  -4.594)  ( 0.00,  0.00,  0.00)
168:     electro (  0.425,   0.115,  -0.080)  (  0.425,   0.115,  -0.080)  ( 0.00,  0.00,  0.00)
168:  6       (  0.533,   0.106,  -0.757)  (  0.541,   0.107,  -0.740)  ( 0.44,  0.00,  1.34)
168:     bond    ( 10.935,  11.123,   2.675)  ( 10.940,  11.128,   2.676)  ( 0.05,  0.04,  0.03)
168:     angle   ( -1.841,   0.246,   0.285)  ( -1.839,   0.247,   0.285)  ( 0.09,  0.04,  0.01)
168:     strbnd  ( -0.658,   0.437,   0.063)  ( -0.658,   0.437,   0.063)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.004,   0.151,  -0.129)  ( -0.004,   0.151,  -0.128)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.010,   0.040,  -0.102)  ( -0.008,   0.034,  -0.087)  ( 0.00,  0.03,  0.16)
168:     vdw     ( -7.809, -11.860,  -3.494)  ( -7.809, -11.860,  -3.494)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.081,  -0.031,  -0.054)  ( -0.081,  -0.031,  -0.054)  ( 0.00,  0.00,  0.00)
168:  7       (  4.182,  -0.110,  -2.955)  (  4.161,  -0.952,  -2.296)  ( 0.49,  9.24, 22.30)
168:     bond    ( -8.014,   7.203,  10.301)  ( -8.008,   7.206,  10.304)  ( 0.07,  0.04,  0.04)
168:     angle   ( 23.571,  -6.002, -12.520)  ( 23.573,  -6.000, -12.519)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( -5.963,   1.001,   0.741)  ( -5.964,   1.001,   0.741)  ( 0.01,  0.02,  0.02)
168:     torsion ( -2.504, -12.743,   5.344)  ( -2.504, -12.742,   5.344)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.288,   5.178,  -4.155)  (  0.261,   4.331,  -3.501)  ( 0.80, 16.35, 15.74)
168:     vdw     ( -1.708,   5.497,  -2.750)  ( -1.708,   5.497,  -2.750)  ( 0.01,  0.00,  0.00)
168:     electro ( -1.488,  -0.244,   0.085)  ( -1.488,  -0.244,   0.085)  ( 0.00,  0.00,  0.00)
168:  8       ( -1.923,   7.274,   9.287)  ( -1.901,   8.167,   8.906)  ( 1.12, 12.27,  4.10)
168:     bond    (  7.906,   3.155,   6.283)  (  7.911,   3.158,   6.291)  ( 0.07,  0.08,  0.13)
168:     angle   (-11.927,  11.968,  23.696)  (-11.925,  11.969,  23.697)  ( 0.02,  0.01,  0.01)
168:     strbnd  ( -0.172,  -3.227,  -7.634)  ( -0.173,  -3.227,  -7.635)  ( 0.02,  0.01,  0.01)
168:     torsion ( -1.724,   6.797, -17.832)  ( -1.724,   6.797, -17.832)  ( 0.00,  0.01,  0.00)
168:     oop     ( -0.107,  -5.155,   2.589)  ( -0.093,  -4.267,   2.199)  ( 0.16, 17.23, 15.06)
168:     vdw     (  4.239,  -5.387,   2.000)  (  4.239,  -5.387,   2.000)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.137,  -0.875,   0.186)  ( -0.137,  -0.875,   0.186)  ( 0.00,  0.00,  0.00)
168:  9       (  6.140,  -3.439,  -4.350)  (  6.157,  -3.721,  -4.188)  ( 0.27,  8.20,  3.73)
168:     bond    (  6.677,  -9.432, -17.814)  (  6.678,  -9.430, -17.808)  ( 0.01,  0.02,  0.03)
168:     angle   ( -3.223,  -0.345,  -1.026)  ( -3.222,  -0.345,  -1.026)  ( 0.03,  0.00,  0.01)
168:     strbnd  ( -3.032,   4.056,   7.810)  ( -3.032,   4.056,   7.810)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.306,   6.009,  -3.297)  ( -0.306,   6.009,  -3.297)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.071,   1.455,  -0.797)  ( -0.056,   1.171,  -0.641)  ( 0.11, 19.52, 12.44)
168:     vdw     (  7.280,  -5.048,  11.866)  (  7.280,  -5.048,  11.866)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.185,  -0.133,  -1.092)  ( -1.185,  -0.133,  -1.092)  ( 0.00,  0.00,  0.00)
168: 10       (  1.503,  -0.193,   0.092)  (  1.469,  -0.420,  -0.248)  ( 2.28,  4.37,  3.13)
168:     bond    (  9.695,  23.920,  -3.884)  (  9.701,  23.924,  -3.884)  ( 0.06,  0.02,  0.01)
168:     angle   (-15.143, -13.685, -10.389)  (-15.141, -13.683, -10.388)  ( 0.01,  0.01,  0.01)
168:     strbnd  (  1.542, -11.914,   0.169)  (  1.542, -11.915,   0.169)  ( 0.03,  0.01,  0.00)
168:     torsion (  1.960,  -0.605,  10.880)  (  1.960,  -0.605,  10.881)  ( 0.00,  0.01,  0.01)
168:     oop     (  0.202,   1.528,   1.715)  (  0.161,   1.295,   1.373)  ( 0.83, 15.24, 19.96)
168:     vdw     (  3.415,   0.682,   1.760)  (  3.415,   0.682,   1.760)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.168,  -0.118,  -0.159)  ( -0.168,  -0.118,  -0.159)  ( 0.00,  0.00,  0.00)
168: 11       ( -3.382,   0.002,   1.664)  ( -3.375,   0.163,   2.211)  ( 0.21,  0.04, 32.88)
168:     bond    (-13.094,  -5.115,  -0.788)  (-13.089,  -5.111,  -0.787)  ( 0.04,  0.09,  0.05)
168:     angle   ( -2.503,   4.242,  11.159)  ( -2.501,   4.244,  11.160)  ( 0.09,  0.05,  0.00)
168:     strbnd  ( 10.155,   7.918,  -0.812)  ( 10.154,   7.917,  -0.812)  ( 0.01,  0.01,  0.01)
168:     torsion (  1.046,  -1.903,  -2.449)  (  1.046,  -1.903,  -2.448)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.039,  -0.779,  -2.945)  ( -0.038,  -0.624,  -2.400)  ( 0.00, 12.08, 18.52)
168:     vdw     ( -0.018,  -4.278,  -1.767)  ( -0.018,  -4.278,  -1.767)  ( 0.00,  0.00,  0.00)
168:     electro (  1.070,  -0.081,  -0.735)  (  1.070,  -0.081,  -0.735)  ( 0.00,  0.00,  0.00)
168: 12       ( -0.151,  -0.223,  -0.298)  ( -0.144,  -0.255,  -0.423)  ( 0.09,  0.71,  3.72)
168:     bond    ( -6.964,  10.847,  -2.041)  ( -6.957,  10.853,  -2.041)  ( 0.09,  0.05,  0.02)
168:     angle   (  3.466, -18.735,   1.444)  (  3.468, -18.732,   1.444)  ( 0.06,  0.01,  0.03)
168:     strbnd  (  5.241,  10.045,  -1.635)  (  5.240,  10.043,  -1.635)  ( 0.02,  0.01,  0.00)
168:     torsion ( -0.277,  -0.199,   0.243)  ( -0.277,  -0.199,   0.244)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.002,   0.243,   0.879)  ( -0.003,   0.205,   0.753)  ( 0.00,  0.94, 11.08)
168:     vdw     ( -1.680,  -2.461,   0.754)  ( -1.680,  -2.461,   0.754)  ( 0.00,  0.00,  0.00)
168:     electro (  0.066,   0.037,   0.059)  (  0.066,   0.037,   0.059)  ( 0.00,  0.00,  0.00)
168: 13       ( -0.934,   4.770,   0.246)  ( -0.930,   4.786,   0.303)  ( 0.38,  0.34,  1.41)
168:     bond    ( -0.615,   7.046,  -1.142)  ( -0.607,   7.052,  -1.141)  ( 0.46,  0.08,  0.02)
168:     angle   (  9.671,  -9.830,   1.897)  (  9.673,  -9.828,   1.897)  ( 0.02,  0.02,  0.00)
168:     strbnd  (  1.450,  -2.787,   0.428)  (  1.450,  -2.788,   0.428)  ( 0.05,  0.05,  0.00)
168:     torsion ( -0.027,   0.521,  -1.869)  ( -0.027,   0.521,  -1.868)  ( 0.00,  0.00,  0.05)
168:     oop     (  0.024,  -0.050,  -0.214)  (  0.019,  -0.041,  -0.158)  ( 0.01,  0.05,  1.20)
168:     vdw     (-11.109,   9.890,   1.556)  (-11.109,   9.890,   1.556)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.327,  -0.020,  -0.411)  ( -0.327,  -0.020,  -0.411)  ( 0.00,  0.00,  0.00)
168: 14       (  6.423,  -5.117,   0.699)  (  6.432,  -5.100,   0.728)  ( 0.14,  0.33,  2.05)
168:     bond    (-12.462, -21.961,   0.624)  (-12.457, -21.955,   0.624)  ( 0.04,  0.02,  0.01)
168:     angle   ( 21.478,  16.756,  -1.059)  ( 21.481,  16.758,  -1.059)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -5.263,  -1.582,  -0.270)  ( -5.263,  -1.582,  -0.270)  ( 0.01,  0.03,  0.00)
168:     torsion ( -0.035,  -0.626,   1.222)  ( -0.035,  -0.626,   1.223)  ( 0.00,  0.00,  0.11)
168:     oop     (  0.004,  -0.049,  -0.081)  (  0.005,  -0.039,  -0.053)  ( 0.00,  0.05,  0.23)
168:     vdw     (  2.604,   2.443,   0.387)  (  2.604,   2.443,   0.387)  ( 0.00,  0.00,  0.00)
168:     electro (  0.097,  -0.098,  -0.124)  (  0.097,  -0.098,  -0.124)  ( 0.00,  0.00,  0.00)
168: 15       ( -5.131,   0.618,  -0.838)  ( -5.081,   0.621,  -0.540)  ( 0.97,  0.16, 24.88)
168:     bond    ( 11.061,   5.919,  -3.067)  ( 11.066,   5.923,  -3.067)  ( 0.04,  0.08,  0.01)
168:     angle   (-12.299, -15.141,  -0.481)  (-12.297, -15.140,  -0.481)  ( 0.02,  0.01,  0.00)
168:     strbnd  ( -3.290,   0.620,   0.718)  ( -3.290,   0.620,   0.718)  ( 0.00,  0.01,  0.00)
168:     torsion ( -0.712,  -0.073,   3.004)  ( -0.712,  -0.073,   3.005)  ( 0.00,  0.00,  0.05)
168:     oop     ( -0.261,   0.034,  -1.913)  ( -0.218,   0.030,  -1.617)  ( 1.11,  0.01, 15.44)
168:     vdw     (  0.370,   9.262,   0.830)  (  0.370,   9.262,   0.830)  ( 0.00,  0.00,  0.00)
168:     electro (  0.001,  -0.002,   0.071)  (  0.001,  -0.002,   0.071)  ( 0.00,  0.00,  0.00)
168: 16       ( -0.060,   0.192,   1.754)  ( -0.067,   0.202,   1.620)  ( 0.04,  0.20,  7.61)
168:     bond    ( 14.452, -16.403,  -3.890)  ( 14.458, -16.398,  -3.890)  ( 0.04,  0.03,  0.01)
168:     angle   (-10.953,   5.321,   1.176)  (-10.951,   5.322,   1.176)  ( 0.02,  0.03,  0.00)
168:     strbnd  (  6.693,   8.480,  -0.639)  (  6.693,   8.479,  -0.639)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.233,  -0.130,   1.677)  (  0.233,  -0.130,   1.679)  ( 0.00,  0.00,  0.08)
168:     oop     (  0.089,  -0.027,   0.816)  (  0.074,  -0.024,   0.681)  ( 0.13,  0.01, 11.01)
168:     vdw     (-10.495,   2.954,   2.887)  (-10.495,   2.954,   2.887)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.079,  -0.002,  -0.273)  ( -0.079,  -0.002,  -0.273)  ( 0.00,  0.00,  0.00)
168: 17       ( -0.394,   0.572,   1.427)  ( -0.386,   0.578,   1.432)  ( 0.31,  0.35,  0.35)
168:     bond    ( 11.943,  13.623,   0.244)  ( 11.949,  13.628,   0.244)  ( 0.05,  0.04,  0.01)
168:     angle   (  1.276,  -3.469,  -0.726)  (  1.277,  -3.467,  -0.726)  ( 0.13,  0.05,  0.00)
168:     strbnd  (  0.726,  -3.329,  -0.300)  (  0.726,  -3.330,  -0.300)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.227,  -0.156,   1.421)  (  0.227,  -0.156,   1.422)  ( 0.00,  0.00,  0.09)
168:     oop     ( -0.004,   0.002,  -0.021)  ( -0.003,   0.002,  -0.018)  ( 0.00,  0.00,  0.01)
168:     vdw     (-14.498,  -6.002,   0.935)  (-14.498,  -6.002,   0.935)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.064,  -0.097,  -0.125)  ( -0.064,  -0.097,  -0.125)  ( 0.00,  0.00,  0.00)
168: 18       ( -0.671,  -0.480,   0.669)  ( -0.666,  -0.470,   0.643)  ( 0.29,  0.48,  1.73)
168:     bond    ( -3.720,  10.016,   1.464)  ( -3.714,  10.021,   1.464)  ( 0.15,  0.06,  0.01)
168:     angle   (  3.372,   1.996,  -0.096)  (  3.374,   1.998,  -0.096)  ( 0.05,  0.09,  0.00)
168:     strbnd  (  1.201,  -0.848,  -0.145)  (  1.201,  -0.848,  -0.145)  ( 0.02,  0.01,  0.00)
168:     torsion (  0.005,  -0.001,   0.213)  (  0.005,  -0.001,   0.214)  ( 0.00,  0.00,  0.03)
168:     oop     (  0.015,  -0.016,   0.164)  (  0.013,  -0.013,   0.137)  ( 0.00,  0.00,  0.45)
168:     vdw     ( -1.486, -11.784,  -0.891)  ( -1.486, -11.784,  -0.891)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.059,   0.157,  -0.040)  ( -0.059,   0.157,  -0.040)  ( 0.00,  0.00,  0.00)
168: 19       ( -0.361,   0.252,  -0.085)  ( -0.352,   0.256,  -0.053)  ( 0.36,  0.11,  0.27)
168:     bond    ( -3.439,  12.608,   1.190)  ( -3.434,  12.614,   1.190)  ( 0.17,  0.04,  0.02)
168:     angle   ( -7.033,   2.531,   1.010)  ( -7.031,   2.533,   1.010)  ( 0.02,  0.06,  0.01)
168:     strbnd  ( -0.939,  -6.205,  -0.494)  ( -0.939,  -6.206,  -0.494)  ( 0.02,  0.00,  0.00)
168:     torsion (  0.083,  -0.036,   0.405)  (  0.083,  -0.036,   0.406)  ( 0.00,  0.00,  0.05)
168:     oop     ( -0.015,   0.016,  -0.180)  ( -0.012,   0.013,  -0.149)  ( 0.00,  0.00,  0.55)
168:     vdw     ( 11.128,  -8.501,  -1.965)  ( 11.128,  -8.501,  -1.965)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.147,  -0.161,  -0.052)  ( -0.147,  -0.161,  -0.052)  ( 0.00,  0.00,  0.00)
168: 20       (  0.033,   0.210,  -0.198)  (  0.028,   0.218,  -0.269)  ( 0.01,  0.15,  1.41)
168:     bond    (-23.028,   1.536,   2.475)  (-23.023,   1.541,   2.475)  ( 0.02,  0.33,  0.01)
168:     angle   ( 15.846,  -1.882,  -2.254)  ( 15.848,  -1.881,  -2.254)  ( 0.01,  0.09,  0.00)
168:     strbnd  ( -4.096,   7.781,   0.817)  ( -4.097,   7.781,   0.817)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.129,   0.136,   0.405)  (  0.129,   0.136,   0.407)  ( 0.00,  0.00,  0.05)
168:     oop     (  0.078,  -0.007,   0.518)  (  0.066,  -0.007,   0.445)  ( 0.09,  0.00,  3.76)
168:     vdw     ( 11.264,  -7.207,  -2.094)  ( 11.264,  -7.207,  -2.094)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.159,  -0.145,  -0.065)  ( -0.159,  -0.145,  -0.065)  ( 0.00,  0.00,  0.00)
168: 21       (  0.580,  -0.053,  -0.235)  (  0.591,  -0.122,  -0.471)  ( 0.61,  0.37,  5.54)
168:     bond    (  7.503, -21.569,  13.282)  (  7.507, -21.565,  13.286)  ( 0.05,  0.02,  0.03)
168:     angle   ( -8.074,  14.944, -23.421)  ( -8.072,  14.947, -23.419)  ( 0.03,  0.01,  0.01)
168:     strbnd  (  2.250,   2.780,   1.796)  (  2.249,   2.779,   1.795)  ( 0.04,  0.04,  0.03)
168:     torsion ( -0.293,   1.133,   8.011)  ( -0.293,   1.133,   8.011)  ( 0.00,  0.01,  0.00)
168:     oop     ( -0.019,   0.274,   0.893)  ( -0.014,   0.200,   0.651)  ( 0.01,  2.04, 21.55)
168:     vdw     ( -0.617,   2.348,  -0.996)  ( -0.617,   2.348,  -0.996)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.170,   0.037,   0.202)  ( -0.170,   0.037,   0.202)  ( 0.00,  0.00,  0.00)
168: 22       (  0.335,  -0.174,   0.517)  (  0.341,  -0.168,   0.522)  ( 0.18,  0.10,  0.29)
168:     bond    ( 10.845,  -2.778,  -8.094)  ( 10.850,  -2.774,  -8.090)  ( 0.04,  0.15,  0.05)
168:     angle   ( -9.008,  -1.801,   6.507)  ( -9.006,  -1.799,   6.508)  ( 0.02,  0.10,  0.03)
168:     strbnd  (  0.507,  -2.141,   2.316)  (  0.507,  -2.141,   2.315)  ( 0.04,  0.02,  0.03)
168:     torsion (  0.379,   2.149,  -1.075)  (  0.379,   2.149,  -1.075)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.389,   4.398,   0.864)  ( -2.389,   4.398,   0.864)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 23       ( -0.056,  -0.173,  -0.298)  ( -0.051,  -0.167,  -0.292)  ( 0.03,  0.09,  0.18)
168:     bond    ( -9.863,  -5.250,   2.250)  ( -9.858,  -5.246,   2.255)  ( 0.04,  0.08,  0.21)
168:     angle   ( 12.507,   0.572,   0.600)  ( 12.509,   0.573,   0.602)  ( 0.02,  0.10,  0.10)
168:     strbnd  (  0.608,  -3.802,   1.723)  (  0.607,  -3.803,   1.722)  ( 0.05,  0.02,  0.03)
168:     torsion ( -1.338,   1.223,  -0.733)  ( -1.338,   1.223,  -0.733)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.970,   7.085,  -4.139)  ( -1.970,   7.085,  -4.139)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 24       ( -2.968,  -0.603,  -1.089)  ( -2.963,  -0.598,  -1.087)  ( 0.17,  0.31,  0.24)
168:     bond    ( -0.866, -18.509,   3.882)  ( -0.862, -18.505,   3.887)  ( 0.40,  0.02,  0.12)
168:     angle   (  5.959,  26.024,  -8.109)  (  5.962,  26.026,  -8.108)  ( 0.04,  0.01,  0.02)
168:     strbnd  (-10.525,  -2.634,   0.562)  (-10.527,  -2.635,   0.562)  ( 0.02,  0.03,  0.02)
168:     torsion ( -0.876,  -1.089,   1.253)  ( -0.876,  -1.089,   1.253)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.001,   0.002,   0.014)  ( -0.000,   0.002,   0.010)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.349,  -4.597,   0.926)  (  2.349,  -4.597,   0.926)  ( 0.01,  0.00,  0.00)
168:     electro (  0.991,   0.199,   0.382)  (  0.991,   0.199,   0.382)  ( 0.00,  0.00,  0.00)
168: 25       ( -0.014,  -0.101,  -0.165)  ( -0.009,  -0.095,  -0.159)  ( 0.01,  0.06,  0.10)
168:     bond    ( -3.870,  12.275,  -0.924)  ( -3.866,  12.279,  -0.920)  ( 0.10,  0.03,  0.41)
168:     angle   ( -5.572, -18.333,   5.423)  ( -5.570, -18.330,   5.425)  ( 0.04,  0.01,  0.03)
168:     strbnd  ( -1.114,  -2.631,  -0.165)  ( -1.115,  -2.631,  -0.166)  ( 0.10,  0.02,  0.00)
168:     torsion (  3.318,  -0.490,  -3.647)  (  3.318,  -0.490,  -3.647)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  7.225,   9.078,  -0.852)  (  7.225,   9.078,  -0.852)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 26       ( -2.572,   0.175,  -0.401)  ( -2.567,   0.181,  -0.395)  ( 0.18,  0.10,  0.23)
168:     bond    (  4.426, -15.861,  -0.954)  (  4.429, -15.857,  -0.949)  ( 0.08,  0.03,  0.45)
168:     angle   ( -8.266,  12.873,  -7.689)  ( -8.264,  12.875,  -7.687)  ( 0.02,  0.02,  0.03)
168:     strbnd  (  1.193,   5.294,   4.137)  (  1.192,   5.293,   4.136)  ( 0.07,  0.01,  0.03)
168:     torsion ( -0.164,  -0.701,   3.652)  ( -0.164,  -0.701,   3.652)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.542,  -1.377,   0.272)  ( -0.542,  -1.377,   0.272)  ( 0.01,  0.00,  0.00)
168:     electro (  0.781,  -0.052,   0.181)  (  0.781,  -0.052,   0.181)  ( 0.00,  0.00,  0.00)
168: 27       ( -0.131,   0.200,   0.315)  ( -0.126,   0.205,   0.322)  ( 0.06,  0.11,  0.19)
168:     bond    ( -1.243,  14.723,   1.076)  ( -1.239,  14.727,   1.080)  ( 0.30,  0.03,  0.41)
168:     angle   ( -2.830, -11.271,   1.923)  ( -2.828, -11.269,   1.924)  ( 0.07,  0.02,  0.10)
168:     strbnd  (  1.105,  -0.095,   0.631)  (  1.104,  -0.095,   0.630)  ( 0.10,  0.01,  0.02)
168:     torsion (  1.263,  -4.544,  -4.977)  (  1.263,  -4.544,  -4.977)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.574,   1.387,   1.663)  (  1.574,   1.387,   1.663)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 28       ( -7.675,  -0.990,   1.850)  ( -7.670,  -0.984,   1.855)  ( 0.07,  0.60,  0.26)
168:     bond    ( -2.953, -11.140,   2.764)  ( -2.949, -11.136,   2.768)  ( 0.12,  0.04,  0.15)
168:     angle   ( -6.707,  11.635,   3.591)  ( -6.705,  11.637,   3.594)  ( 0.03,  0.02,  0.06)
168:     strbnd  (  1.933,  -1.383,  -4.721)  (  1.932,  -1.383,  -4.722)  ( 0.05,  0.02,  0.03)
168:     torsion ( -0.767,   1.045,   0.680)  ( -0.767,   1.045,   0.680)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.685,  -1.579,   0.134)  ( -1.684,  -1.579,   0.134)  ( 0.01,  0.00,  0.00)
168:     electro (  2.504,   0.432,  -0.598)  (  2.504,   0.432,  -0.598)  ( 0.00,  0.00,  0.00)
168: 29       ( -0.232,  -0.372,  -1.097)  ( -0.323,  -0.236,  -1.026)  ( 2.10,  5.04,  6.49)
168:     bond    ( -3.268,   7.249,   5.605)  ( -3.264,   7.254,   5.609)  ( 0.11,  0.06,  0.08)
168:     angle   (  1.228,  -5.262,  -5.708)  (  1.229,  -5.261,  -5.706)  ( 0.14,  0.03,  0.04)
168:     strbnd  ( -1.075,   1.910,   2.578)  ( -1.075,   1.910,   2.578)  ( 0.06,  0.02,  0.02)
168:     torsion ( -1.983,  -2.819,  -0.108)  ( -1.983,  -2.819,  -0.108)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.919,  -1.262,  -0.629)  (  0.825,  -1.132,  -0.564)  ( 8.72, 10.33,  4.10)
168:     vdw     (  3.898,  -0.356,  -3.193)  (  3.898,  -0.356,  -3.193)  ( 0.00,  0.00,  0.00)
168:     electro (  0.048,   0.168,   0.357)  (  0.048,   0.168,   0.357)  ( 0.00,  0.00,  0.00)
168: 30       (  1.016,   2.220,   3.568)  (  1.737,   1.301,   3.105)  (70.91, 41.39, 12.97)
168:     bond    ( -1.273,  -3.810,   6.037)  ( -1.269,  -3.807,   6.047)  ( 0.30,  0.07,  0.16)
168:     angle   (  1.224,   1.913,   5.350)  (  1.225,   1.914,   5.352)  ( 0.15,  0.07,  0.03)
168:     strbnd  ( -1.468,   0.550,  -3.069)  ( -1.469,   0.549,  -3.071)  ( 0.07,  0.04,  0.07)
168:     torsion ( -0.091,   0.173,   0.599)  ( -0.091,   0.173,   0.599)  ( 0.00,  0.00,  0.00)
168:     oop     ( -3.638,   4.815,   2.435)  ( -2.922,   3.893,   1.963)  (19.69, 19.15, 19.39)
168:     vdw     (  6.948,  -1.148,  -6.767)  (  6.948,  -1.148,  -6.767)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.686,  -0.273,  -1.017)  ( -0.686,  -0.273,  -1.017)  ( 0.00,  0.00,  0.00)
168: 31       (  2.419,  -0.986,  -2.275)  (  2.104,  -0.579,  -2.060)  (13.02, 40.06,  9.46)
168:     bond    (  0.058,   0.328,  -0.551)  (  0.058,   0.330,  -0.546)  ( 0.00,  0.06,  0.28)
168:     angle   ( -2.127,  -1.116,  -0.901)  ( -2.127,  -1.116,  -0.901)  ( 0.03,  0.02,  0.01)
168:     strbnd  ( -0.372,  -0.811,   1.064)  ( -0.372,  -0.811,   1.064)  ( 0.00,  0.01,  0.01)
168:     torsion (  0.357,  -0.491,  -0.258)  (  0.357,  -0.491,  -0.258)  ( 0.00,  0.00,  0.00)
168:     oop     (  1.362,  -1.784,  -0.930)  (  1.047,  -1.380,  -0.720)  (23.18, 22.66, 19.55)
168:     vdw     (  3.653,   3.015,  -1.101)  (  3.653,   3.015,  -1.101)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.512,  -0.127,   0.402)  ( -0.512,  -0.127,   0.402)  ( 0.00,  0.00,  0.00)
168: 32       (  5.348,   0.730,  -4.432)  (  5.046,   1.120,  -4.230)  ( 5.64, 28.45,  4.56)
168:     bond    ( -3.495,  -0.110,  -5.185)  ( -3.493,  -0.110,  -5.181)  ( 0.06,  0.00,  0.09)
168:     angle   (  0.338,   0.315,  -0.235)  (  0.339,   0.316,  -0.235)  ( 0.01,  0.02,  0.00)
168:     strbnd  (  0.426,  -0.497,   1.754)  (  0.426,  -0.497,   1.754)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.160,   0.219,   0.103)  ( -0.160,   0.219,   0.103)  ( 0.00,  0.00,  0.00)
168:     oop     (  1.355,  -1.770,  -0.876)  (  1.050,  -1.382,  -0.679)  (22.48, 21.97, 17.28)
168:     vdw     (  8.930,   2.395,  -1.527)  (  8.930,   2.395,  -1.527)  ( 0.00,  0.00,  0.00)
168:     electro ( -2.046,   0.178,   1.533)  ( -2.046,   0.178,   1.533)  ( 0.00,  0.00,  0.00)
168: 33       (  7.505,  -1.009,   1.807)  (  7.506,  -1.002,   1.810)  ( 0.01,  0.66,  0.20)
168:     bond    ( -0.019,  -1.678,  -1.610)  ( -0.019,  -1.671,  -1.608)  ( 0.00,  0.37,  0.18)
168:     angle   (  8.749,  -2.680,   5.549)  (  8.750,  -2.680,   5.550)  ( 0.01,  0.01,  0.02)
168:     strbnd  (  0.282,  -2.395,  -3.567)  (  0.282,  -2.395,  -3.567)  ( 0.00,  0.00,  0.01)
168:     torsion ( -0.756,   0.926,  -0.619)  ( -0.756,   0.926,  -0.619)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.059,   4.362,   2.702)  (  2.059,   4.362,   2.702)  ( 0.01,  0.00,  0.00)
168:     electro ( -2.810,   0.456,  -0.648)  ( -2.810,   0.456,  -0.648)  ( 0.00,  0.00,  0.00)
168: 34       ( 10.521,   3.577,  -4.419)  ( 10.527,   3.578,  -4.416)  ( 0.06,  0.02,  0.08)
168:     bond    ( 13.740,   3.045, -11.264)  ( 13.745,   3.046, -11.261)  ( 0.04,  0.01,  0.03)
168:     angle   (  3.434,  -0.862,  -3.531)  (  3.435,  -0.861,  -3.530)  ( 0.02,  0.04,  0.03)
168:     strbnd  ( -0.868,  -0.657,   2.046)  ( -0.868,  -0.658,   2.046)  ( 0.01,  0.00,  0.02)
168:     torsion ( -0.397,   0.278,   0.129)  ( -0.397,   0.278,   0.129)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.894,   2.781,   6.709)  ( -1.894,   2.781,   6.709)  ( 0.01,  0.00,  0.00)
168:     electro ( -3.494,  -1.009,   1.492)  ( -3.494,  -1.009,   1.492)  ( 0.00,  0.00,  0.00)
168: 35       (  0.612,  -0.567,  -0.708)  (  0.616,  -0.568,  -0.704)  ( 0.25,  0.04,  0.32)
168:     bond    (  2.204,  -0.030,  -0.236)  (  2.207,  -0.030,  -0.236)  ( 0.17,  0.00,  0.00)
168:     angle   ( -0.031,  -0.619,  -0.215)  ( -0.031,  -0.619,  -0.215)  ( 0.00,  0.04,  0.00)
168:     strbnd  ( -0.630,  -0.117,   0.028)  ( -0.630,  -0.117,   0.028)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.041,   0.142,  -0.401)  ( -0.041,   0.142,  -0.401)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.003,   0.009,  -0.025)  ( -0.002,   0.007,  -0.021)  ( 0.00,  0.00,  0.01)
168:     vdw     ( -0.755,   0.010,   0.078)  ( -0.755,   0.010,   0.078)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.132,   0.038,   0.062)  ( -0.132,   0.038,   0.062)  ( 0.00,  0.00,  0.00)
168: 36       ( -0.249,  -1.029,   0.334)  ( -0.247,  -1.029,   0.343)  ( 0.05,  0.03,  0.32)
168:     bond    (  1.008,  -1.858,  -0.711)  (  1.009,  -1.855,  -0.710)  ( 0.08,  0.14,  0.03)
168:     angle   ( -0.810,  -0.409,  -0.083)  ( -0.810,  -0.408,  -0.083)  ( 0.04,  0.01,  0.00)
168:     strbnd  ( -0.164,   0.654,   0.244)  ( -0.164,   0.654,   0.244)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.047,  -0.195,   0.576)  (  0.047,  -0.195,   0.577)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.004,   0.018,  -0.054)  ( -0.003,   0.015,  -0.045)  ( 0.00,  0.01,  0.05)
168:     vdw     ( -0.412,   0.629,   0.244)  ( -0.412,   0.629,   0.244)  ( 0.00,  0.00,  0.00)
168:     electro (  0.086,   0.132,   0.117)  (  0.086,   0.132,   0.117)  ( 0.00,  0.00,  0.00)
168: 37       ( -1.459,   0.450,  -0.189)  ( -1.459,   0.459,  -0.205)  ( 0.02,  0.38,  0.31)
168:     bond    ( -1.065,  -1.705,  -0.491)  ( -1.064,  -1.702,  -0.491)  ( 0.09,  0.15,  0.01)
168:     angle   (  2.772,  -1.525,  -0.719)  (  2.772,  -1.525,  -0.719)  ( 0.02,  0.01,  0.00)
168:     strbnd  (  0.823,   1.075,   0.277)  (  0.823,   1.075,   0.277)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.096,  -0.361,   1.046)  (  0.096,  -0.361,   1.046)  ( 0.00,  0.00,  0.03)
168:     oop     (  0.009,  -0.035,   0.104)  (  0.007,  -0.030,   0.087)  ( 0.00,  0.02,  0.17)
168:     vdw     ( -4.611,   3.272,  -0.769)  ( -4.611,   3.272,  -0.769)  ( 0.00,  0.00,  0.00)
168:     electro (  0.518,  -0.270,   0.365)  (  0.518,  -0.270,   0.365)  ( 0.00,  0.00,  0.00)
168: 38       (  0.697,  -0.095,  -1.643)  (  0.702,  -0.112,  -1.585)  ( 0.38,  0.16,  3.53)
168:     bond    ( -0.610,   1.154,   0.431)  ( -0.609,   1.156,   0.432)  ( 0.05,  0.23,  0.02)
168:     angle   (  2.171,   1.091,   0.140)  (  2.172,   1.091,   0.140)  ( 0.03,  0.01,  0.00)
168:     strbnd  (  0.292,  -0.874,  -0.249)  (  0.292,  -0.874,  -0.249)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.070,   0.364,  -1.074)  ( -0.070,   0.364,  -1.074)  ( 0.00,  0.00,  0.03)
168:     oop     ( -0.025,   0.116,  -0.346)  ( -0.021,   0.097,  -0.289)  ( 0.01,  0.22,  1.99)
168:     vdw     ( -0.968,  -2.087,  -0.646)  ( -0.967,  -2.087,  -0.646)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.094,   0.142,   0.101)  ( -0.094,   0.142,   0.101)  ( 0.00,  0.00,  0.00)
168: 39       (  0.579,   0.285,  -1.567)  (  0.582,   0.284,  -1.555)  ( 0.17,  0.03,  0.77)
168:     bond    (  1.161,   1.766,   0.453)  (  1.162,   1.769,   0.453)  ( 0.09,  0.14,  0.01)
168:     angle   (  0.496,  -0.284,  -0.165)  (  0.497,  -0.284,  -0.165)  ( 0.02,  0.00,  0.00)
168:     strbnd  ( -0.428,  -0.962,  -0.256)  ( -0.428,  -0.962,  -0.256)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.154,   0.452,  -1.372)  ( -0.154,   0.452,  -1.372)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.008,   0.023,  -0.071)  ( -0.007,   0.019,  -0.059)  ( 0.00,  0.01,  0.08)
168:     vdw     ( -0.423,  -0.628,  -0.165)  ( -0.423,  -0.628,  -0.165)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.066,  -0.083,   0.009)  ( -0.066,  -0.083,   0.009)  ( 0.00,  0.00,  0.00)
168: 40       ( -3.312,  -3.973,  -3.279)  ( -3.286,  -3.772,  -3.483)  ( 0.77,  5.06,  6.22)
168:     bond    (  1.250,  -2.067,  -1.848)  (  1.251,  -2.065,  -1.846)  ( 0.07,  0.11,  0.10)
168:     angle   ( -6.227,  -1.125,  -2.962)  ( -6.226,  -1.124,  -2.961)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -0.245,  -0.553,  -0.380)  ( -0.245,  -0.553,  -0.380)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.954,  -0.617,   2.015)  (  1.954,  -0.617,   2.015)  ( 0.00,  0.01,  0.00)
168:     oop     ( -0.207,  -1.458,   1.491)  ( -0.183,  -1.260,   1.285)  ( 0.50, 13.62, 13.81)
168:     vdw     ( -0.907,   0.415,  -2.870)  ( -0.907,   0.416,  -2.870)  ( 0.01,  0.00,  0.00)
168:     electro (  1.070,   1.432,   1.274)  (  1.070,   1.432,   1.274)  ( 0.00,  0.00,  0.00)
168: 41       (  0.314,  -0.534,  -1.796)  (  0.320,  -0.537,  -1.831)  ( 0.19,  0.17,  1.93)
168:     bond    (  1.745,  -1.007,   0.287)  (  1.748,  -1.006,   0.287)  ( 0.17,  0.10,  0.00)
168:     angle   (  0.464,   0.801,  -0.015)  (  0.464,   0.801,  -0.015)  ( 0.01,  0.05,  0.00)
168:     strbnd  (  0.646,   0.353,  -0.007)  (  0.646,   0.352,  -0.007)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.413,  -0.701,  -4.980)  (  0.413,  -0.701,  -4.980)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.012,   0.022,   0.147)  ( -0.009,   0.017,   0.112)  ( 0.00,  0.01,  0.51)
168:     vdw     ( -2.888,  -0.070,   2.547)  ( -2.888,  -0.069,   2.547)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.055,   0.069,   0.225)  ( -0.055,   0.069,   0.225)  ( 0.00,  0.00,  0.00)
168: 42       ( -0.601,  -0.039,  -0.247)  ( -0.597,  -0.038,  -0.240)  ( 0.23,  0.00,  0.18)
168:     bond    ( -1.375,   0.917,   0.310)  ( -1.372,   0.918,   0.310)  ( 0.19,  0.11,  0.00)
168:     angle   (  3.321,   4.944,   0.058)  (  3.321,   4.944,   0.059)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -1.480,   0.664,   0.304)  ( -1.480,   0.664,   0.304)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.662,   0.518,  -4.465)  ( -0.662,   0.518,  -4.465)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.006,   0.005,  -0.042)  ( -0.005,   0.004,  -0.035)  ( 0.00,  0.00,  0.03)
168:     vdw     ( -0.590,  -7.239,   3.112)  ( -0.590,  -7.239,   3.112)  ( 0.00,  0.00,  0.00)
168:     electro (  0.193,   0.152,   0.475)  (  0.193,   0.152,   0.475)  ( 0.00,  0.00,  0.00)
168: 43       ( -0.497,   0.648,   1.335)  ( -0.493,   0.649,   1.338)  ( 0.18,  0.06,  0.24)
168:     bond    (  1.870,   0.804,  -0.109)  (  1.873,   0.804,  -0.109)  ( 0.17,  0.05,  0.00)
168:     angle   ( -0.221,   0.524,   0.072)  ( -0.221,   0.524,   0.072)  ( 0.00,  0.03,  0.00)
168:     strbnd  ( -1.440,  -0.145,   0.136)  ( -1.440,  -0.145,   0.136)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.118,  -0.120,   1.139)  (  0.118,  -0.120,   1.139)  ( 0.00,  0.00,  0.03)
168:     oop     ( -0.002,   0.002,  -0.018)  ( -0.002,   0.002,  -0.015)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.750,  -0.350,   0.003)  ( -0.750,  -0.350,   0.003)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.071,  -0.066,   0.111)  ( -0.071,  -0.066,   0.111)  ( 0.00,  0.00,  0.00)
168: 44       ( -1.262,   0.524,   0.724)  ( -1.261,   0.527,   0.732)  ( 0.12,  0.15,  0.57)
168:     bond    (  0.202,   1.622,   0.146)  (  0.202,   1.625,   0.146)  ( 0.00,  0.23,  0.00)
168:     angle   ( -1.147,   0.132,   0.122)  ( -1.147,   0.132,   0.122)  ( 0.06,  0.00,  0.00)
168:     strbnd  ( -0.299,  -0.281,   0.005)  ( -0.299,  -0.281,   0.005)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.051,  -0.056,   0.548)  (  0.051,  -0.056,   0.549)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.004,   0.004,  -0.044)  ( -0.004,   0.004,  -0.036)  ( 0.00,  0.00,  0.03)
168:     vdw     ( -0.104,  -0.746,  -0.073)  ( -0.104,  -0.746,  -0.073)  ( 0.00,  0.00,  0.00)
168:     electro (  0.039,  -0.152,   0.018)  (  0.039,  -0.152,   0.018)  ( 0.00,  0.00,  0.00)
168: 45       ( -1.564,  -0.339,  -0.643)  ( -1.563,  -0.337,  -0.657)  ( 0.08,  0.10,  0.90)
168:     bond    ( -2.026,   1.473,   0.312)  ( -2.024,   1.474,   0.312)  ( 0.12,  0.09,  0.00)
168:     angle   ( -0.884,  -1.211,  -0.011)  ( -0.883,  -1.211,  -0.011)  ( 0.02,  0.04,  0.00)
168:     strbnd  (  0.669,   0.039,  -0.071)  (  0.669,   0.039,  -0.071)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.083,   0.075,  -0.891)  ( -0.083,   0.075,  -0.891)  ( 0.00,  0.00,  0.03)
168:     oop     (  0.008,  -0.007,   0.085)  (  0.007,  -0.006,   0.071)  ( 0.00,  0.00,  0.12)
168:     vdw     (  0.563,  -0.681,  -0.091)  (  0.563,  -0.681,  -0.091)  ( 0.00,  0.00,  0.00)
168:     electro (  0.189,  -0.027,   0.024)  (  0.189,  -0.027,   0.024)  ( 0.00,  0.00,  0.00)
168: 46       (  0.161,  -1.444,  -1.223)  (  0.162,  -1.442,  -1.237)  ( 0.03,  0.16,  1.12)
168:     bond    ( -1.548,  -0.548,   0.144)  ( -1.545,  -0.547,   0.145)  ( 0.21,  0.02,  0.00)
168:     angle   ( -2.690,   7.839,   0.924)  ( -2.690,   7.840,   0.924)  ( 0.00,  0.01,  0.00)
168:     strbnd  (  2.263,   1.431,  -0.188)  (  2.263,   1.431,  -0.188)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.041,   0.010,  -0.399)  ( -0.041,   0.010,  -0.398)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.011,  -0.007,   0.092)  (  0.009,  -0.006,   0.078)  ( 0.00,  0.00,  0.13)
168:     vdw     (  2.373, -10.506,  -1.864)  (  2.373, -10.506,  -1.864)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.207,   0.336,   0.067)  ( -0.207,   0.336,   0.067)  ( 0.00,  0.00,  0.00)
168: 47       ( -0.364,   0.001,   0.224)  ( -0.363,   0.002,   0.227)  ( 0.04,  0.00,  0.06)
168:     bond    (  2.065,   0.651,   4.277)  (  2.066,   0.651,   4.280)  ( 0.03,  0.01,  0.06)
168:     angle   ( -1.189,   0.877,   0.440)  ( -1.189,   0.878,   0.440)  ( 0.04,  0.06,  0.01)
168:     strbnd  ( -1.004,  -2.559,  -2.464)  ( -1.004,  -2.559,  -2.464)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.081,   1.012,  -0.193)  (  0.081,   1.012,  -0.193)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.317,   0.020,  -1.836)  ( -0.317,   0.020,  -1.835)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 48       (  0.158,   0.208,   0.381)  (  0.161,   0.209,   0.382)  ( 0.05,  0.03,  0.02)
168:     bond    ( -1.345,  -0.662,  -0.174)  ( -1.342,  -0.661,  -0.174)  ( 0.21,  0.04,  0.00)
168:     angle   (  2.482,  -5.347,   1.171)  (  2.482,  -5.347,   1.171)  ( 0.00,  0.01,  0.04)
168:     strbnd  ( -0.569,  -0.838,  -0.623)  ( -0.569,  -0.838,  -0.623)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.479,  -1.375,   1.531)  (  0.479,  -1.375,   1.531)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.889,   8.429,  -1.524)  ( -0.889,   8.429,  -1.524)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 49       (  0.370,  -0.684,   0.437)  (  0.371,  -0.684,   0.441)  ( 0.03,  0.03,  0.14)
168:     bond    ( -0.186,   0.025,  -0.685)  ( -0.186,   0.025,  -0.682)  ( 0.00,  0.00,  0.22)
168:     angle   (  1.336,  -2.129,  -0.442)  (  1.336,  -2.128,  -0.442)  ( 0.04,  0.02,  0.00)
168:     strbnd  (  0.611,  -0.262,  -0.310)  (  0.611,  -0.262,  -0.310)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.104,  -0.201,   0.021)  ( -0.104,  -0.201,   0.021)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.287,   1.882,   1.854)  ( -1.287,   1.882,   1.854)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 50       (  0.588,   0.088,   1.012)  (  0.589,   0.092,   1.013)  ( 0.04,  0.03,  0.07)
168:     bond    (  0.403,  -2.471,   0.627)  (  0.403,  -2.468,   0.627)  ( 0.00,  0.12,  0.01)
168:     angle   (  5.516,   0.699,  -0.794)  (  5.517,   0.699,  -0.793)  ( 0.01,  0.00,  0.04)
168:     strbnd  (  0.314,   1.208,  -0.817)  (  0.314,   1.208,  -0.817)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.531,  -0.207,  -0.474)  ( -0.531,  -0.207,  -0.474)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.114,   0.860,   2.470)  ( -5.114,   0.860,   2.470)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 51       ( -0.316,  -0.193,  -0.505)  ( -0.315,  -0.192,  -0.503)  ( 0.06,  0.02,  0.10)
168:     bond    (  0.716,  -0.298,  -0.826)  (  0.717,  -0.297,  -0.824)  ( 0.10,  0.01,  0.15)
168:     angle   (  1.189,  -5.329,   2.958)  (  1.189,  -5.328,   2.959)  ( 0.03,  0.01,  0.01)
168:     strbnd  ( -0.047,  -0.589,  -0.422)  ( -0.047,  -0.589,  -0.422)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.936,  -0.735,   1.080)  (  0.936,  -0.735,   1.080)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.110,   6.758,  -3.296)  ( -3.110,   6.758,  -3.296)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 52       ( -0.101,  -0.092,  -0.176)  ( -0.100,  -0.090,  -0.175)  ( 0.01,  0.02,  0.01)
168:     bond    (  1.134,  -2.431,   0.852)  (  1.134,  -2.428,   0.852)  ( 0.05,  0.10,  0.03)
168:     angle   ( -3.696,  -1.139,   1.674)  ( -3.696,  -1.138,   1.675)  ( 0.01,  0.01,  0.03)
168:     strbnd  ( -1.209,   1.211,  -0.450)  ( -1.209,   1.211,  -0.450)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.018,   0.060,   0.194)  ( -0.018,   0.060,   0.194)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.689,   2.206,  -2.447)  (  3.689,   2.206,  -2.447)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 53       (  0.304,  -0.091,  -0.474)  (  0.305,  -0.090,  -0.471)  ( 0.04,  0.01,  0.12)
168:     bond    ( -0.341,  -0.134,  -0.569)  ( -0.341,  -0.134,  -0.567)  ( 0.03,  0.00,  0.14)
168:     angle   (  0.912,  -4.148,   0.434)  (  0.913,  -4.147,   0.434)  ( 0.03,  0.01,  0.01)
168:     strbnd  ( -0.362,  -0.327,   0.331)  ( -0.362,  -0.327,   0.331)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.427,  -0.471,  -0.145)  (  0.427,  -0.471,  -0.145)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.333,   4.990,  -0.524)  ( -0.333,   4.990,  -0.524)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 54       (  0.047,   0.327,   0.213)  (  0.048,   0.328,   0.216)  ( 0.00,  0.04,  0.06)
168:     bond    (  0.044,   0.448,  -1.022)  (  0.044,   0.449,  -1.019)  ( 0.00,  0.02,  0.28)
168:     angle   ( -5.073,   4.709,   1.855)  ( -5.072,   4.710,   1.855)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -0.688,  -1.108,  -0.508)  ( -0.688,  -1.108,  -0.508)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.301,   0.513,   0.239)  (  0.301,   0.513,   0.239)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.463,  -4.236,  -0.352)  (  5.463,  -4.236,  -0.352)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 55       ( -0.139,  -0.301,   0.325)  ( -0.139,  -0.299,   0.327)  ( 0.01,  0.06,  0.06)
168:     bond    (  0.004,  -0.058,  -0.057)  (  0.004,  -0.056,  -0.056)  ( 0.00,  0.01,  0.01)
168:     angle   ( -0.993,   1.847,  -1.929)  ( -0.992,   1.847,  -1.929)  ( 0.07,  0.01,  0.01)
168:     strbnd  ( -0.720,  -1.271,   0.377)  ( -0.720,  -1.271,   0.377)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.101,   0.125,  -0.120)  (  0.101,   0.125,  -0.120)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.469,  -0.945,   2.055)  (  1.469,  -0.944,   2.055)  ( 0.01,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 56       ( -0.037,  -0.300,  -0.241)  ( -0.036,  -0.299,  -0.238)  ( 0.00,  0.04,  0.06)
168:     bond    (  0.176,   1.777,  -3.219)  (  0.177,   1.777,  -3.216)  ( 0.00,  0.04,  0.08)
168:     angle   ( -1.373,  -1.962,  -1.160)  ( -1.373,  -1.962,  -1.159)  ( 0.05,  0.02,  0.01)
168:     strbnd  ( -0.304,   0.067,   1.171)  ( -0.304,   0.067,   1.171)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.378,   0.531,   0.218)  ( -1.378,   0.532,   0.218)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.841,  -0.714,   2.749)  (  2.842,  -0.714,   2.749)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 57       (  0.041,   0.148,  -0.296)  (  0.041,   0.150,  -0.294)  ( 0.00,  0.03,  0.06)
168:     bond    ( -0.135,   2.007,   2.146)  ( -0.135,   2.009,   2.147)  ( 0.00,  0.08,  0.08)
168:     angle   (  0.451,  -0.692,   0.675)  (  0.452,  -0.692,   0.675)  ( 0.03,  0.02,  0.02)
168:     strbnd  ( -0.177,  -0.030,  -0.939)  ( -0.177,  -0.030,  -0.939)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.075,  -0.300,   0.213)  ( -1.075,  -0.300,   0.213)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.976,  -0.838,  -2.392)  (  0.976,  -0.838,  -2.392)  ( 0.02,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 58       ( -0.254,   0.017,  -0.064)  ( -0.254,   0.019,  -0.062)  ( 0.02,  0.00,  0.02)
168:     bond    ( -0.040,  -1.500,   1.928)  ( -0.040,  -1.499,   1.930)  ( 0.00,  0.08,  0.11)
168:     angle   ( -1.136,   1.312,   0.995)  ( -1.135,   1.312,   0.995)  ( 0.05,  0.03,  0.02)
168:     strbnd  (  0.280,  -0.457,  -0.574)  (  0.280,  -0.457,  -0.574)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.158,   0.214,   0.170)  (  0.158,   0.214,   0.170)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.484,   0.449,  -2.583)  (  0.484,   0.449,  -2.583)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 59       ( -0.039,   0.371,   0.524)  ( -0.039,   0.373,   0.526)  ( 0.00,  0.07,  0.11)
168:     bond    (  0.250,   2.246,  -2.453)  (  0.250,   2.247,  -2.451)  ( 0.00,  0.07,  0.07)
168:     angle   ( -0.227,   0.092,   0.062)  ( -0.226,   0.092,   0.062)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( -0.193,  -0.135,   1.231)  ( -0.193,  -0.135,   1.231)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.564,   2.085,   1.969)  (  0.564,   2.085,   1.969)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.433,  -3.917,  -0.285)  ( -0.433,  -3.917,  -0.285)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 60       ( -0.063,  -0.072,   0.504)  ( -0.062,  -0.071,   0.506)  ( 0.01,  0.01,  0.13)
168:     bond    (  0.260,   1.745,   3.031)  (  0.260,   1.746,   3.033)  ( 0.00,  0.05,  0.08)
168:     angle   (  3.751,  -1.603,   0.601)  (  3.752,  -1.603,   0.601)  ( 0.02,  0.02,  0.01)
168:     strbnd  ( -0.199,  -0.015,  -1.540)  ( -0.199,  -0.015,  -1.540)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.382,   1.853,  -0.948)  ( -1.382,   1.853,  -0.948)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.493,  -2.052,  -0.640)  ( -2.493,  -2.052,  -0.640)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 61       ( -0.281,   0.189,  -0.034)  ( -0.280,   0.192,  -0.033)  ( 0.02,  0.06,  0.00)
168:     bond    (  0.133,  -2.004,   0.580)  (  0.133,  -2.001,   0.581)  ( 0.00,  0.15,  0.02)
168:     angle   (  0.076,  -0.444,  -1.547)  (  0.077,  -0.444,  -1.546)  ( 0.00,  0.00,  0.04)
168:     strbnd  ( -0.121,  -0.013,   0.295)  ( -0.121,  -0.013,   0.295)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.940,   0.033,  -0.103)  (  0.940,   0.033,  -0.103)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.309,   2.616,   0.740)  ( -1.309,   2.616,   0.740)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 62       ( -0.037,   0.359,   0.037)  ( -0.037,   0.362,   0.038)  ( 0.00,  0.10,  0.00)
168:     bond    ( -0.580,   1.889,  -0.905)  ( -0.580,   1.891,  -0.905)  ( 0.01,  0.13,  0.05)
168:     angle   ( -0.273,   0.763,   1.769)  ( -0.273,   0.763,   1.769)  ( 0.01,  0.01,  0.02)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-31.880, -44.982,  35.045)  (-31.882, -44.749,  34.526)  ( 0.01,  0.52,  1.48)
170:     bond    (-40.420,  41.995,  21.806)  (-40.392,  42.018,  21.810)  ( 0.07,  0.06,  0.02)
170:     angle   (-15.456,  -7.499,  -1.323)  (-15.444,  -7.487,  -1.321)  ( 0.08,  0.16,  0.14)
170:     torsion (  4.465, -13.505,  34.153)  (  4.466, -13.502,  34.172)  ( 0.00,  0.02,  0.06)
170:     oop     (  0.262,  -1.152,   3.243)  (  0.219,  -0.958,   2.700)  ( 1.13, 16.82, 16.74)
170:     vdw     ( 19.269, -64.822, -22.834)  ( 19.270, -64.821, -22.833)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (-12.291, -27.965, -12.989)  (-12.245, -27.951, -12.903)  ( 0.37,  0.05,  0.66)
170:     bond    ( 44.261,  36.517,   8.020)  ( 44.289,  36.540,   8.023)  ( 0.06,  0.06,  0.04)
170:     angle   (-13.442,  -1.258,   0.913)  (-13.431,  -1.246,   0.915)  ( 0.08,  0.94,  0.13)
170:     torsion ( -0.065,   2.436,  -2.077)  ( -0.065,   2.438,  -2.058)  ( 0.00,  0.09,  0.91)
170:     oop     ( -0.038,   0.156,  -0.397)  ( -0.032,   0.132,  -0.334)  ( 0.02,  0.39,  2.46)
170:     vdw     (-43.007, -65.816, -19.449)  (-43.007, -65.815, -19.449)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (-25.860,  -1.136, 338.779)  (-25.614,   0.247, 337.431)  ( 0.95, 121.78,  0.40)
170:     bond    ( 65.767, 140.323, 186.598)  ( 65.806, 140.339, 186.620)  ( 0.06,  0.01,  0.01)
170:     angle   (-41.279,  19.132,  42.502)  (-41.263,  19.142,  42.512)  ( 0.04,  0.05,  0.02)
170:     torsion (-46.293, -174.861, 111.475)  (-46.292, -174.854, 111.480)  ( 0.00,  0.00,  0.00)
170:     oop     ( -1.261,  -6.768,   7.409)  ( -1.070,  -5.418,   6.024)  (15.15, 19.95, 18.69)
170:     vdw     ( -2.796,  21.037,  -9.205)  ( -2.795,  21.038,  -9.205)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (  2.007, -141.218, -337.027)  (  1.906, -139.418, -337.650)  ( 5.02,  1.27,  0.18)
170:     bond    (-148.647, -41.584, -55.210)  (-148.617, -41.572, -55.173)  ( 0.02,  0.03,  0.07)
170:     angle   (150.718, -65.909, -63.785)  (150.744, -65.902, -63.775)  ( 0.02,  0.01,  0.02)
170:     torsion (-23.473,  13.213, -231.721)  (-23.472,  13.218, -231.720)  ( 0.00,  0.04,  0.00)
170:     oop     (  1.005, -10.683,   4.518)  (  0.847,  -8.909,   3.846)  (15.73, 16.60, 14.87)
170:     vdw     ( 22.404, -36.254,   9.172)  ( 22.405, -36.253,   9.172)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (-40.105,  25.157, -120.469)  (-40.036,  24.105, -119.861)  ( 0.17,  4.18,  0.50)
170:     bond    ( 30.421, -42.975, -81.162)  ( 30.425, -42.968, -81.138)  ( 0.01,  0.02,  0.03)
170:     angle   (-97.973, -21.203, -25.506)  (-97.964, -21.203, -25.506)  ( 0.01,  0.00,  0.00)
170:     torsion ( -6.259, 116.531, -64.058)  ( -6.259, 116.532, -64.058)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.265,   5.425,  -2.973)  ( -0.209,   4.364,  -2.389)  ( 1.47, 19.56, 19.62)
170:     vdw     ( 33.971, -32.620,  53.230)  ( 33.972, -32.619,  53.231)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       ( 91.167,   5.416,  71.329)  ( 91.166,   4.769,  71.373)  ( 0.00, 11.95,  0.06)
170:     bond    (226.913, -56.230, -30.230)  (226.943, -56.204, -30.227)  ( 0.01,  0.05,  0.01)
170:     angle   (-194.316,  65.945, -70.440)  (-194.300,  65.958, -70.436)  ( 0.01,  0.02,  0.01)
170:     torsion ( 32.606, -18.848, 156.550)  ( 32.607, -18.846, 156.563)  ( 0.00,  0.01,  0.01)
170:     oop     (  0.229,   4.708,  -0.230)  (  0.181,   4.020,  -0.205)  ( 1.09, 14.62,  0.56)
170:     vdw     ( 25.735,   9.840,  15.679)  ( 25.736,   9.841,  15.679)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (225.628, -206.652,  69.044)  (225.683, -206.423,  69.714)  ( 0.02,  0.11,  0.97)
170:     bond    ( 93.426, -53.532,   4.505)  ( 93.459, -53.503,   4.510)  ( 0.04,  0.05,  0.10)
170:     angle   (119.389, -90.859, 170.310)  (119.405, -90.843, 170.313)  ( 0.01,  0.02,  0.00)
170:     torsion ( 13.029, -48.793, -96.910)  ( 13.029, -48.791, -96.893)  ( 0.00,  0.00,  0.02)
170:     oop     ( -0.069,  -0.913,  -3.501)  ( -0.065,  -0.731,  -2.856)  ( 0.03, 16.60, 18.45)
170:     vdw     ( -0.146, -12.555,  -5.360)  ( -0.146, -12.555,  -5.360)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (-93.468, -119.866,  38.940)  (-93.411, -119.855,  38.827)  ( 0.06,  0.01,  0.29)
170:     bond    (-186.226, -17.199,  -4.867)  (-186.184, -17.162,  -4.865)  ( 0.02,  0.21,  0.05)
170:     angle   (100.853, -104.886,  -7.299)  (100.869, -104.868,  -7.296)  ( 0.02,  0.02,  0.04)
170:     torsion ( -3.809,   9.448,  48.069)  ( -3.809,   9.448,  48.091)  ( 0.00,  0.01,  0.04)
170:     oop     ( -0.012,   0.289,   1.060)  ( -0.013,   0.245,   0.920)  ( 0.00,  1.28, 13.28)
170:     vdw     ( -4.274,  -7.518,   1.976)  ( -4.274,  -7.518,   1.977)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (  3.335, 288.444, -76.170)  (  3.362, 288.525, -75.893)  ( 0.82,  0.03,  0.36)
170:     bond    (  4.828, 149.615, -23.114)  (  4.856, 149.648, -23.113)  ( 0.59,  0.02,  0.01)
170:     angle   ( 58.584,  79.414, -45.322)  ( 58.600,  79.429, -45.321)  ( 0.03,  0.02,  0.00)
170:     torsion ( -0.800,  11.926, -13.399)  ( -0.800,  11.927, -13.378)  ( 0.02,  0.01,  0.16)
170:     oop     (  0.110,  -0.159,  -1.678)  (  0.091,  -0.129,  -1.424)  ( 0.21,  0.48, 15.12)
170:     vdw     (-59.388,  47.647,   7.343)  (-59.386,  47.650,   7.343)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       ( 97.961, 147.551, 113.911)  ( 98.001, 147.592, 113.202)  ( 0.04,  0.03,  0.62)
170:     bond    (-154.829, 111.469,  -0.872)  (-154.804, 111.501,  -0.871)  ( 0.02,  0.03,  0.09)
170:     angle   (248.150,  36.634,  82.756)  (248.166,  36.648,  82.756)  ( 0.01,  0.04,  0.00)
170:     torsion ( -1.838,  -9.032,  27.518)  ( -1.838,  -9.032,  27.541)  ( 0.02,  0.00,  0.08)
170:     oop     ( -0.039,   0.000,   3.201)  ( -0.040,  -0.006,   2.469)  ( 0.00,  0.00, 22.88)
170:     vdw     (  6.518,   8.480,   1.307)  (  6.518,   8.480,   1.307)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       (-105.638, -92.389,  26.667)  (-105.524, -92.343,  27.540)  ( 0.11,  0.05,  3.28)
170:     bond    ( 53.724, -43.269, -13.811)  ( 53.752, -43.241, -13.809)  ( 0.05,  0.06,  0.01)
170:     angle   (-150.033, -101.179,  -4.308)  (-150.019, -101.165,  -4.309)  ( 0.01,  0.01,  0.01)
170:     torsion (-12.547,  -1.115,  45.037)  (-12.546,  -1.115,  45.061)  ( 0.00,  0.01,  0.05)
170:     oop     ( -0.413,   0.024,  -4.236)  ( -0.342,   0.027,  -3.386)  ( 2.93,  0.01, 20.05)
170:     vdw     (  3.631,  53.150,   3.984)  (  3.631,  53.151,   3.984)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       (-73.437,   0.837,  32.603)  (-73.425,   0.887,  32.365)  ( 0.02,  4.21,  0.73)
170:     bond    ( 50.547, -70.937, -15.049)  ( 50.574, -70.910, -15.048)  ( 0.05,  0.04,  0.01)
170:     angle   (-70.177,  42.637,   8.768)  (-70.165,  42.649,   8.768)  ( 0.02,  0.03,  0.00)
170:     torsion (  3.371,  -2.144,  22.650)  (  3.371,  -2.143,  22.671)  ( 0.02,  0.02,  0.09)
170:     oop     (  0.179,  -0.069,   1.564)  (  0.150,  -0.060,   1.303)  ( 0.52,  0.07, 16.70)
170:     vdw     (-57.357,  31.349,  14.670)  (-57.356,  31.350,  14.670)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       (-38.012,   1.098,  26.556)  (-37.969,   1.136,  26.591)  ( 0.11,  3.43,  0.13)
170:     bond    ( 38.128,  64.277,   2.987)  ( 38.153,  64.305,   2.988)  ( 0.07,  0.04,  0.04)
170:     angle   (  4.265, -26.112,  -4.627)  (  4.279, -26.101,  -4.627)  ( 0.32,  0.04,  0.00)
170:     torsion (  3.666,  -2.511,  22.904)  (  3.666,  -2.510,  22.925)  ( 0.01,  0.01,  0.09)
170:     oop     ( -0.014,   0.010,  -0.082)  ( -0.012,   0.008,  -0.069)  ( 0.00,  0.00,  0.11)
170:     vdw     (-84.058, -34.566,   5.374)  (-84.056, -34.565,   5.374)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       ( -6.612, -14.388,   4.623)  ( -6.583, -14.337,   4.539)  ( 0.44,  0.35,  1.82)
170:     bond    (-23.301,  24.678,   5.043)  (-23.273,  24.703,   5.044)  ( 0.12,  0.10,  0.02)
170:     angle   ( 23.724,  18.525,  -0.135)  ( 23.734,  18.539,  -0.135)  ( 0.04,  0.08,  0.00)
170:     torsion (  0.087,  -0.016,   3.427)  (  0.087,  -0.016,   3.448)  ( 0.00,  0.00,  0.62)
170:     oop     (  0.058,  -0.061,   0.636)  (  0.049,  -0.051,   0.530)  ( 0.06,  0.06,  6.75)
170:     vdw     ( -7.180, -57.513,  -4.349)  ( -7.180, -57.512,  -4.349)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       ( 11.714,  20.273,   5.442)  ( 11.764,  20.303,   5.582)  ( 0.43,  0.14,  2.59)
170:     bond    (  3.716,  51.056,   3.270)  (  3.743,  51.083,   3.271)  ( 0.71,  0.05,  0.02)
170:     angle   (-53.611,  15.132,   7.002)  (-53.599,  15.144,   7.002)  ( 0.02,  0.08,  0.00)
170:     torsion (  1.337,  -0.581,   6.526)  (  1.337,  -0.581,   6.547)  ( 0.01,  0.01,  0.32)
170:     oop     ( -0.057,   0.060,  -0.698)  ( -0.047,   0.050,  -0.579)  ( 0.06,  0.06,  8.29)
170:     vdw     ( 60.329, -45.394, -10.659)  ( 60.330, -45.393, -10.659)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       ( 85.817,   0.348,   2.069)  ( 85.847,   0.385,   2.035)  ( 0.04,  1.29,  1.64)
170:     bond    (-102.276,  22.499,  12.095)  (-102.251,  22.527,  12.096)  ( 0.02,  0.13,  0.01)
170:     angle   (114.983,   0.338, -13.795)  (114.997,   0.349, -13.795)  ( 0.01,  0.36,  0.00)
170:     torsion (  3.315,   2.200,  13.926)  (  3.315,   2.200,  13.947)  ( 0.01,  0.01,  0.15)
170:     oop     (  0.081,   0.015,   0.475)  (  0.070,   0.011,   0.419)  ( 0.09,  0.01,  2.68)
170:     vdw     ( 69.714, -24.704, -10.632)  ( 69.716, -24.702, -10.632)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       (-66.238,  22.367,  95.317)  (-66.197,  22.317,  95.067)  ( 0.06,  0.22,  0.26)
170:     bond    ( 55.099, -110.431, 101.265)  ( 55.118, -110.408, 101.284)  ( 0.03,  0.02,  0.02)
170:     angle   (-100.710,  88.879, -129.473)  (-100.696,  88.891, -129.464)  ( 0.01,  0.01,  0.01)
170:     torsion (-18.856,  33.146, 127.144)  (-18.854,  33.148, 127.149)  ( 0.01,  0.01,  0.00)
170:     oop     ( -0.022,   0.319,   1.038)  ( -0.016,   0.233,   0.756)  ( 0.01,  2.77, 27.17)
170:     vdw     ( -1.750,  10.454,  -4.658)  ( -1.749,  10.454,  -4.658)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       ( 10.945, -26.557,  21.043)  ( 10.974, -26.528,  21.072)  ( 0.26,  0.11,  0.14)
170:     bond    ( 78.061, -32.255, -59.087)  ( 78.080, -32.237, -59.068)  ( 0.02,  0.05,  0.03)
170:     angle   (-71.166, -17.158,  58.672)  (-71.158, -17.148,  58.681)  ( 0.01,  0.05,  0.02)
170:     torsion ( 16.636,   5.460,  15.588)  ( 16.636,   5.461,  15.588)  ( 0.00,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-12.585,  17.395,   5.870)  (-12.584,  17.396,   5.870)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       ( 33.427, -21.864,   6.423)  ( 33.457, -21.835,   6.452)  ( 0.09,  0.13,  0.45)
170:     bond    (-69.515, -53.766,  16.940)  (-69.496, -53.748,  16.959)  ( 0.03,  0.03,  0.11)
170:     angle   (104.511,   2.138,  -2.504)  (104.521,   2.147,  -2.495)  ( 0.01,  0.41,  0.34)
170:     torsion (  7.290,  -4.506,  14.180)  (  7.291,  -4.505,  14.182)  ( 0.01,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.860,  34.269, -22.193)  ( -8.858,  34.270, -22.193)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       (-59.522,  73.111, -61.491)  (-59.480,  73.147, -61.474)  ( 0.07,  0.05,  0.03)
170:     bond    ( -1.423, -127.289,  25.653)  ( -1.396, -127.270,  25.672)  ( 1.85,  0.02,  0.07)
170:     angle   (-73.912, 231.350, -63.017)  (-73.899, 231.367, -63.008)  ( 0.02,  0.01,  0.01)
170:     torsion ( -1.153,  -2.884, -31.550)  ( -1.153,  -2.883, -31.544)  ( 0.07,  0.07,  0.02)
170:     oop     ( -0.002,   0.011,   0.067)  ( -0.002,   0.008,   0.050)  ( 0.00,  0.00,  0.11)
170:     vdw     ( 16.968, -28.077,   7.357)  ( 16.969, -28.076,   7.357)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       ( -9.675,   6.016, -13.876)  ( -9.641,   6.050, -13.844)  ( 0.35,  0.57,  0.23)
170:     bond    (-21.693, 101.511, -10.537)  (-21.673, 101.529, -10.518)  ( 0.09,  0.02,  0.17)
170:     angle   (-41.649, -155.895,   4.820)  (-41.638, -155.882,   4.830)  ( 0.03,  0.01,  0.22)
170:     torsion ( -2.346,  -4.745,  -0.756)  ( -2.345,  -4.743,  -0.754)  ( 0.03,  0.03,  0.21)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 56.013,  65.145,  -7.403)  ( 56.015,  65.146,  -7.403)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 26       (-66.360,  63.008, 151.800)  (-66.326,  63.047, 151.841)  ( 0.05,  0.06,  0.03)
170:     bond    ( 23.914, -31.082, 126.884)  ( 23.934, -31.059, 126.909)  ( 0.08,  0.07,  0.02)
170:     angle   (-80.332, 108.889,  -9.633)  (-80.318, 108.904,  -9.619)  ( 0.02,  0.01,  0.15)
170:     torsion ( -4.548,  -7.157,  32.760)  ( -4.547,  -7.156,  32.761)  ( 0.01,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -5.395,  -7.642,   1.790)  ( -5.394,  -7.642,   1.790)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       ( -3.335,  28.070,  31.883)  ( -3.302,  28.101,  31.915)  ( 1.00,  0.11,  0.10)
170:     bond    ( -2.543, 116.577,  10.472)  ( -2.523, 116.596,  10.490)  ( 0.81,  0.02,  0.17)
170:     angle   (-14.795, -77.489, -16.820)  (-14.784, -77.477, -16.808)  ( 0.08,  0.02,  0.07)
170:     torsion (  3.122, -17.800,  28.898)  (  3.123, -17.799,  28.899)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 10.881,   6.781,   9.333)  ( 10.882,   6.781,   9.333)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 28       (-24.969, -88.911, 251.020)  (-24.932, -88.876, 251.061)  ( 0.15,  0.04,  0.02)
170:     bond    ( 27.243, -89.704, 157.951)  ( 27.263, -89.683, 157.978)  ( 0.08,  0.02,  0.02)
170:     angle   (-61.752,   2.506,  67.387)  (-61.736,   2.520,  67.401)  ( 0.03,  0.56,  0.02)
170:     torsion ( 16.304,   4.570,  25.812)  ( 16.305,   4.570,  25.813)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -6.765,  -6.283,  -0.131)  ( -6.764,  -6.283,  -0.131)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 29       (121.830, 139.624,   6.344)  (121.601, 140.012,   6.557)  ( 0.19,  0.28,  3.36)
170:     bond    ( 53.237, 119.656,  38.714)  ( 53.256, 119.676,  38.733)  ( 0.04,  0.02,  0.05)
170:     angle   ( 33.866,  64.258, -10.453)  ( 33.877,  64.269, -10.439)  ( 0.03,  0.02,  0.14)
170:     torsion ( 11.309, -24.297,  36.020)  ( 11.309, -24.296,  36.020)  ( 0.00,  0.00,  0.00)
170:     oop     (  2.504,  -3.437,  -1.712)  (  2.244,  -3.079,  -1.533)  (10.38, 10.39, 10.43)
170:     vdw     ( 20.914, -16.557, -56.225)  ( 20.915, -16.557, -56.224)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 30       (-634.732, -306.472, -606.488)  (-632.744, -308.968, -607.724)  ( 0.31,  0.81,  0.20)
170:     bond    (-277.869,  75.610, -564.058)  (-277.851,  75.624, -564.017)  ( 0.01,  0.02,  0.01)
170:     angle   (-406.214, -378.621,   3.969)  (-406.199, -378.612,   3.979)  ( 0.00,  0.00,  0.23)
170:     torsion (  7.598,  -8.679,  14.394)  (  7.598,  -8.679,  14.394)  ( 0.00,  0.01,  0.00)
170:     oop     ( -9.905,  13.111,   6.630)  ( -7.950,  10.593,   5.341)  (19.74, 19.21, 19.44)
170:     vdw     ( 51.658,  -7.894, -67.422)  ( 51.659,  -7.894, -67.421)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 31       (255.888, -20.863, 326.222)  (255.033, -19.748, 326.821)  ( 0.33,  5.34,  0.18)
170:     bond    (-25.278, -142.548, 236.213)  (-25.277, -142.539, 236.238)  ( 0.01,  0.01,  0.01)
170:     angle   (245.224, 135.470, 107.978)  (245.229, 135.472, 107.978)  ( 0.00,  0.00,  0.00)
170:     torsion ( 16.660, -22.922, -12.048)  ( 16.659, -22.923, -12.048)  ( 0.00,  0.00,  0.00)
170:     oop     (  3.710,  -4.857,  -2.534)  (  2.848,  -3.754,  -1.960)  (23.23, 22.71, 22.63)
170:     vdw     ( 15.572,  13.995,  -3.387)  ( 15.573,  13.995,  -3.387)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 32       (714.427, 258.670, -21.571)  (713.613, 259.733, -21.011)  ( 0.11,  0.41,  2.60)
170:     bond    (224.614,   7.051, 333.105)  (224.621,   7.049, 333.121)  ( 0.00,  0.02,  0.01)
170:     angle   (185.180, 209.834, -129.309)  (185.184, 209.837, -129.308)  ( 0.00,  0.00,  0.00)
170:     torsion (-17.793,  24.359,  11.482)  (-17.793,  24.359,  11.482)  ( 0.00,  0.00,  0.00)
170:     oop     (  3.689,  -4.821,  -2.386)  (  2.858,  -3.759,  -1.847)  (22.53, 22.02, 22.57)
170:     vdw     (318.736,  22.247, -234.463)  (318.744,  22.246, -234.459)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 33       ( 71.242, -142.602,  -9.270)  ( 71.247, -142.570,  -9.245)  ( 0.01,  0.02,  0.27)
170:     bond    ( -6.359, -151.413, -79.773)  ( -6.359, -151.384, -79.756)  ( 0.00,  0.02,  0.02)
170:     angle   ( 74.980, -19.554,  66.012)  ( 74.984, -19.551,  66.020)  ( 0.01,  0.01,  0.01)
170:     torsion ( -8.427,   9.675,  -6.479)  ( -8.427,   9.676,  -6.479)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 11.049,  18.689,  10.970)  ( 11.050,  18.690,  10.970)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 34       (-57.580,  58.619, -138.104)  (-57.548,  58.623, -138.077)  ( 0.06,  0.01,  0.02)
170:     bond    (-63.307,   3.061, -175.086)  (-63.282,   3.062, -175.065)  ( 0.04,  0.04,  0.01)
170:     angle   ( 11.175,   1.052,   6.951)  ( 11.181,   1.055,   6.956)  ( 0.05,  0.32,  0.08)
170:     torsion ( -3.889,  38.685,   2.208)  ( -3.889,  38.685,   2.208)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.559,  15.821,  27.823)  ( -1.558,  15.821,  27.823)  ( 0.05,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 35       ( 12.880,  -1.499,  -9.262)  ( 12.896,  -1.500,  -9.241)  ( 0.13,  0.08,  0.23)
170:     bond    ( 16.396,  -0.223,  -1.751)  ( 16.411,  -0.223,  -1.751)  ( 0.09,  0.00,  0.01)
170:     angle   ( -0.183,  -3.658,  -1.246)  ( -0.183,  -3.654,  -1.246)  ( 0.00,  0.10,  0.03)
170:     torsion ( -0.658,   2.290,  -6.462)  ( -0.658,   2.290,  -6.457)  ( 0.00,  0.03,  0.07)
170:     oop     ( -0.010,   0.033,  -0.096)  ( -0.008,   0.028,  -0.080)  ( 0.00,  0.02,  0.16)
170:     vdw     ( -2.666,   0.060,   0.293)  ( -2.666,   0.060,   0.293)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 36       (  1.682, -17.045,   4.237)  (  1.691, -17.045,   4.278)  ( 0.55,  0.00,  0.97)
170:     bond    (  7.488, -13.781,  -5.274)  (  7.491, -13.770,  -5.272)  ( 0.04,  0.08,  0.03)
170:     angle   ( -4.769,  -2.422,  -0.447)  ( -4.766,  -2.421,  -0.447)  ( 0.07,  0.03,  0.00)
170:     torsion (  0.762,  -3.146,   9.292)  (  0.762,  -3.145,   9.297)  ( 0.00,  0.02,  0.05)
170:     oop     ( -0.016,   0.071,  -0.208)  ( -0.013,   0.059,  -0.173)  ( 0.00,  0.08,  0.73)
170:     vdw     ( -1.782,   2.233,   0.873)  ( -1.782,   2.233,   0.873)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 37       (-13.474, -16.279,   2.644)  (-13.472, -16.245,   2.585)  ( 0.02,  0.21,  2.24)
170:     bond    ( -8.186, -13.103,  -3.777)  ( -8.182, -13.093,  -3.776)  ( 0.05,  0.08,  0.02)
170:     angle   ( 16.163,  -8.868,  -4.283)  ( 16.166,  -8.867,  -4.283)  ( 0.02,  0.01,  0.01)
170:     torsion (  1.541,  -5.826,  16.856)  (  1.541,  -5.826,  16.860)  ( 0.00,  0.01,  0.03)
170:     oop     (  0.033,  -0.137,   0.403)  (  0.028,  -0.115,   0.337)  ( 0.02,  0.30,  2.62)
170:     vdw     (-23.026,  11.655,  -6.553)  (-23.025,  11.655,  -6.553)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 38       (  1.702,  16.175, -14.981)  (  1.724,  16.112, -14.751)  ( 1.32,  0.39,  1.54)
170:     bond    ( -5.820,  11.039,   4.124)  ( -5.817,  11.050,   4.125)  ( 0.05,  0.10,  0.04)
170:     angle   ( 12.767,   6.308,   1.110)  ( 12.770,   6.308,   1.110)  ( 0.03,  0.01,  0.00)
170:     torsion ( -1.134,   5.864, -17.312)  ( -1.134,   5.864, -17.307)  ( 0.00,  0.01,  0.03)
170:     oop     ( -0.098,   0.449,  -1.342)  ( -0.082,   0.374,  -1.117)  ( 0.16,  3.39, 16.73)
170:     vdw     ( -4.012,  -7.485,  -1.562)  ( -4.012,  -7.485,  -1.562)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 39       (  7.581,  16.776, -20.433)  (  7.594,  16.772, -20.382)  ( 0.16,  0.02,  0.25)
170:     bond    (  8.737,  13.297,   3.406)  (  8.741,  13.307,   3.407)  ( 0.05,  0.08,  0.02)
170:     angle   (  2.916,  -1.685,  -0.910)  (  2.919,  -1.685,  -0.910)  ( 0.10,  0.06,  0.02)
170:     torsion ( -2.476,   7.286, -22.114)  ( -2.476,   7.286, -22.110)  ( 0.00,  0.01,  0.02)
170:     oop     ( -0.031,   0.090,  -0.274)  ( -0.026,   0.076,  -0.229)  ( 0.02,  0.13,  1.23)
170:     vdw     ( -1.565,  -2.212,  -0.540)  ( -1.565,  -2.212,  -0.540)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 40       ( 32.749,  16.958, -149.806)  ( 32.672,  16.278, -149.079)  ( 0.23,  4.01,  0.49)
170:     bond    ( 33.459, -55.246, -49.387)  ( 33.463, -55.235, -49.378)  ( 0.01,  0.02,  0.02)
170:     angle   (-26.229,  -1.697, -15.875)  (-26.224,  -1.697, -15.874)  ( 0.02,  0.03,  0.01)
170:     torsion ( 34.711,  62.839, -46.773)  ( 34.711,  62.841, -46.772)  ( 0.00,  0.00,  0.00)
170:     oop     (  0.596,   4.195,  -4.289)  (  0.509,   3.503,  -3.573)  ( 5.14, 16.51, 16.70)
170:     vdw     ( -9.787,   6.866, -33.483)  ( -9.786,   6.867, -33.482)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 41       (-65.197, -69.425, -57.284)  (-65.175, -69.429, -57.385)  ( 0.03,  0.01,  0.18)
170:     bond    ( 10.154,  -5.855,   1.667)  ( 10.165,  -5.852,   1.667)  ( 0.11,  0.06,  0.01)
170:     angle   (-38.237, -64.749,   5.881)  (-38.236, -64.745,   5.881)  ( 0.00,  0.01,  0.00)
170:     torsion (  7.173, -12.413, -87.325)  (  7.173, -12.413, -87.319)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.035,   0.067,   0.450)  ( -0.027,   0.051,   0.343)  ( 0.03,  0.10,  4.83)
170:     vdw     (-44.252,  13.526,  22.043)  (-44.251,  13.530,  22.043)  ( 0.00,  0.03,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 42       ( 12.007,   0.809, -50.538)  ( 12.023,   0.815, -50.506)  ( 0.13,  0.46,  0.06)
170:     bond    (  0.960,  -0.653,  -0.220)  (  0.970,  -0.649,  -0.219)  ( 0.96,  0.29,  0.01)
170:     angle   ( 19.290,  28.705,   0.377)  ( 19.291,  28.708,   0.377)  ( 0.01,  0.01,  0.00)
170:     torsion (-10.675,   8.352, -71.968)  (-10.675,   8.352, -71.964)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.024,   0.019,  -0.163)  ( -0.020,   0.016,  -0.137)  ( 0.01,  0.01,  0.43)
170:     vdw     (  2.457, -35.613,  21.436)  (  2.457, -35.612,  21.436)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 43       ( 12.317,   5.787,  17.733)  ( 12.331,   5.792,  17.749)  ( 0.12,  0.08,  0.09)
170:     bond    ( 14.478,   6.220,  -0.840)  ( 14.490,   6.223,  -0.840)  ( 0.09,  0.04,  0.01)
170:     angle   ( -1.288,   3.054,   0.437)  ( -1.288,   3.058,   0.437)  ( 0.05,  0.11,  0.00)
170:     torsion (  1.897,  -1.940,  18.353)  (  1.897,  -1.940,  18.358)  ( 0.00,  0.00,  0.03)
170:     oop     ( -0.007,   0.007,  -0.068)  ( -0.006,   0.006,  -0.057)  ( 0.00,  0.00,  0.08)
170:     vdw     ( -2.763,  -1.555,  -0.150)  ( -2.763,  -1.555,  -0.150)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 44       ( -4.598,  11.285,  10.406)  ( -4.591,  11.297,  10.440)  ( 0.16,  0.10,  0.33)
170:     bond    (  1.748,  14.035,   1.261)  (  1.748,  14.050,   1.262)  ( 0.02,  0.10,  0.01)
170:     angle   ( -6.788,   0.776,   0.761)  ( -6.784,   0.776,   0.761)  ( 0.06,  0.00,  0.00)
170:     torsion (  0.817,  -0.896,   8.840)  (  0.817,  -0.896,   8.845)  ( 0.00,  0.01,  0.06)
170:     oop     ( -0.016,   0.017,  -0.169)  ( -0.014,   0.014,  -0.140)  ( 0.00,  0.01,  0.49)
170:     vdw     ( -0.359,  -2.647,  -0.287)  ( -0.358,  -2.647,  -0.287)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 45       (-18.905,   0.809, -12.324)  (-18.899,   0.821, -12.374)  ( 0.03,  1.03,  0.41)
170:     bond    (-14.221,  10.344,   2.191)  (-14.211,  10.350,   2.191)  ( 0.07,  0.05,  0.01)
170:     angle   ( -5.224,  -7.145,  -0.135)  ( -5.222,  -7.142,  -0.135)  ( 0.03,  0.04,  0.00)
170:     torsion ( -1.335,   1.208, -14.366)  ( -1.335,   1.208, -14.361)  ( 0.00,  0.00,  0.04)
170:     oop     (  0.031,  -0.028,   0.331)  (  0.026,  -0.023,   0.275)  ( 0.02,  0.01,  1.85)
170:     vdw     (  1.844,  -3.571,  -0.344)  (  1.844,  -3.571,  -0.344)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 46       (-28.919, -53.589, -18.437)  (-28.911, -53.576, -18.487)  ( 0.02,  0.02,  0.27)
170:     bond    (-13.365,  -4.730,   1.249)  (-13.352,  -4.729,   1.249)  ( 0.10,  0.04,  0.01)
170:     angle   (-15.396,  44.841,   5.200)  (-15.395,  44.844,   5.200)  ( 0.00,  0.01,  0.00)
170:     torsion ( -0.655,   0.154,  -6.424)  ( -0.655,   0.154,  -6.419)  ( 0.00,  0.00,  0.08)
170:     oop     (  0.042,  -0.025,   0.355)  (  0.036,  -0.022,   0.301)  ( 0.03,  0.01,  1.93)
170:     vdw     (  0.455, -93.828, -18.818)  (  0.455, -93.825, -18.818)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 47       (-26.566,  25.212, -28.839)  (-26.560,  25.217, -28.827)  ( 0.02,  0.02,  0.04)
170:     bond    (-11.055,  -3.483, -22.909)  (-11.053,  -3.483, -22.898)  ( 0.02,  0.00,  0.05)
170:     angle   ( -7.141,   8.375,   2.171)  ( -7.139,   8.379,   2.171)  ( 0.04,  0.04,  0.03)
170:     torsion ( -7.520,  25.795,  -0.294)  ( -7.519,  25.796,  -0.294)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.850,  -5.475,  -7.806)  ( -0.850,  -5.475,  -7.806)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 48       (-24.351, -25.990,   1.795)  (-24.340, -25.984,   1.798)  ( 0.05,  0.02,  0.15)
170:     bond    (-45.915, -22.615,  -5.946)  (-45.904, -22.612,  -5.946)  ( 0.02,  0.01,  0.00)
170:     angle   ( 15.706, -30.909,  -3.723)  ( 15.707, -30.907,  -3.721)  ( 0.00,  0.01,  0.06)
170:     torsion (  6.875, -19.736,  21.983)  (  6.875, -19.736,  21.983)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.017,  47.271, -10.519)  ( -1.016,  47.272, -10.519)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 49       ( 36.796,  11.520,  38.836)  ( 36.800,  11.522,  38.849)  ( 0.01,  0.02,  0.03)
170:     bond    ( 11.190,  -1.507,  41.064)  ( 11.191,  -1.507,  41.077)  ( 0.01,  0.01,  0.03)
170:     angle   ( 17.459, -15.585,  -5.329)  ( 17.462, -15.583,  -5.329)  ( 0.01,  0.01,  0.00)
170:     torsion ( 12.306,  23.863,  -2.477)  ( 12.306,  23.864,  -2.477)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -4.159,   4.748,   5.578)  ( -4.159,   4.748,   5.579)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 50       (-29.076,  33.154, -18.847)  (-29.072,  33.167, -18.843)  ( 0.01,  0.04,  0.02)
170:     bond    ( -5.456,  33.426,  -8.494)  ( -5.455,  33.439,  -8.494)  ( 0.00,  0.04,  0.01)
170:     angle   ( 32.312,   2.037, -12.737)  ( 32.315,   2.037, -12.735)  ( 0.01,  0.01,  0.02)
170:     torsion (-18.145,  -7.077, -16.210)  (-18.144,  -7.077, -16.209)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-37.788,   4.768,  18.595)  (-37.787,   4.768,  18.595)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 51       (-10.073,  11.672, -43.302)  (-10.064,  11.676, -43.294)  ( 0.08,  0.04,  0.02)
170:     bond    ( 31.678, -13.145, -36.411)  ( 31.683, -13.145, -36.404)  ( 0.02,  0.01,  0.02)
170:     angle   ( -1.895, -34.657,  10.864)  ( -1.893, -34.655,  10.865)  ( 0.07,  0.01,  0.01)
170:     torsion (  7.134,  -5.604,   8.233)  (  7.135,  -5.604,   8.233)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-46.990,  65.079, -25.988)  (-46.989,  65.080, -25.988)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 52       (-13.218,  31.397, -25.916)  (-13.213,  31.408, -25.912)  ( 0.04,  0.04,  0.01)
170:     bond    (-13.699,  29.311, -10.293)  (-13.697,  29.322, -10.292)  ( 0.02,  0.04,  0.01)
170:     angle   (-26.614,  -9.753,   7.628)  (-26.611,  -9.752,   7.630)  ( 0.01,  0.01,  0.02)
170:     torsion (  0.561,  -1.856,  -6.034)  (  0.561,  -1.856,  -6.034)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 26.533,  13.695, -17.217)  ( 26.534,  13.695, -17.217)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 53       (  4.736,  13.131,  39.313)  (  4.742,  13.134,  39.324)  ( 0.12,  0.03,  0.03)
170:     bond    ( 21.570,   8.503,  35.884)  ( 21.574,   8.504,  35.894)  ( 0.02,  0.00,  0.03)
170:     angle   ( -3.708, -26.999,   8.623)  ( -3.707, -26.997,   8.624)  ( 0.04,  0.01,  0.01)
170:     torsion ( -2.608,   2.873,   0.887)  ( -2.608,   2.873,   0.887)  ( 0.01,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.518,  28.753,  -6.080)  (-10.518,  28.754,  -6.080)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 54       ( 72.754,   0.873, -14.533)  ( 72.760,   0.880, -14.521)  ( 0.01,  0.58,  0.08)
170:     bond    (  1.977,  20.116, -45.686)  (  1.977,  20.119, -45.674)  ( 0.01,  0.01,  0.03)
170:     angle   ( 13.749,  30.884,  14.200)  ( 13.753,  30.886,  14.200)  ( 0.03,  0.01,  0.00)
170:     torsion (  2.619,   9.092,   4.119)  (  2.620,   9.093,   4.119)  ( 0.01,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 54.409, -59.219,  12.834)  ( 54.410, -59.218,  12.834)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 55       ( 43.347,  21.559,  39.370)  ( 43.352,  21.568,  39.378)  ( 0.01,  0.04,  0.02)
170:     bond    ( -2.040,  32.043,  31.725)  ( -2.040,  32.050,  31.732)  ( 0.01,  0.02,  0.02)
170:     angle   ( 35.192,  14.594, -12.480)  ( 35.196,  14.595, -12.479)  ( 0.01,  0.01,  0.01)
170:     torsion ( -0.882,  -8.652,   8.681)  ( -0.882,  -8.651,   8.681)  ( 0.02,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 11.077, -16.427,  11.443)  ( 11.078, -16.426,  11.443)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 56       ( 20.739, -16.581,  38.050)  ( 20.744, -16.575,  38.062)  ( 0.02,  0.04,  0.03)
170:     bond    ( -1.456, -14.668,  26.526)  ( -1.456, -14.665,  26.536)  ( 0.01,  0.02,  0.04)
170:     angle   ( -7.505,  -1.343,  -1.153)  ( -7.502,  -1.341,  -1.153)  ( 0.04,  0.13,  0.05)
170:     torsion ( 12.012,  -6.112,  -2.718)  ( 12.012,  -6.111,  -2.718)  ( 0.00,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 17.689,   5.542,  15.396)  ( 17.690,   5.543,  15.396)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 57       ( -9.513, -10.340, -51.789)  ( -9.509, -10.332, -51.780)  ( 0.05,  0.08,  0.02)
170:     bond    (  1.529, -22.811, -24.383)  (  1.529, -22.804, -24.376)  ( 0.01,  0.03,  0.03)
170:     angle   (  2.795,   3.734,  -3.320)  (  2.799,   3.735,  -3.319)  ( 0.12,  0.03,  0.03)
170:     torsion (-11.027,  11.386, -11.344)  (-11.027,  11.386, -11.344)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -2.810,  -2.650, -12.741)  ( -2.809,  -2.649, -12.741)  ( 0.04,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 58       (  7.764,  -8.888, -82.637)  (  7.767,  -8.880, -82.625)  ( 0.04,  0.09,  0.01)
170:     bond    (  0.583,  21.754, -28.028)  (  0.582,  21.759, -28.020)  ( 0.01,  0.02,  0.03)
170:     angle   ( -6.302,  -6.960,  -5.535)  ( -6.299,  -6.957,  -5.534)  ( 0.05,  0.03,  0.03)
170:     torsion ( 11.584,  -9.359,  -7.027)  ( 11.585,  -9.359,  -7.027)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.899, -14.323, -42.046)  (  1.899, -14.323, -42.045)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 59       ( 15.771, -54.382,  11.456)  ( 15.776, -54.374,  11.464)  ( 0.03,  0.01,  0.07)
170:     bond    ( -2.380, -21.430,  23.359)  ( -2.380, -21.424,  23.366)  ( 0.00,  0.03,  0.03)
170:     angle   ( -0.520,   6.883,   6.258)  ( -0.517,   6.884,   6.259)  ( 0.17,  0.02,  0.02)
170:     torsion ( 20.490, -19.643, -15.922)  ( 20.490, -19.642, -15.922)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.819, -20.193,  -2.239)  ( -1.818, -20.192,  -2.239)  ( 0.05,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 60       (-20.601,  -1.270, -45.454)  (-20.596,  -1.265, -45.443)  ( 0.02,  0.41,  0.02)
170:     bond    ( -2.300, -15.456, -26.859)  ( -2.300, -15.452, -26.849)  ( 0.00,  0.02,  0.04)
170:     angle   ( 20.424,  -0.699,  -1.349)  ( 20.427,  -0.698,  -1.348)  ( 0.02,  0.12,  0.04)
170:     torsion (-15.240,  28.309, -14.988)  (-15.239,  28.309, -14.987)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-23.486, -13.424,  -2.259)  (-23.484, -13.424,  -2.259)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 61       (-36.188,  29.042, -85.024)  (-36.183,  29.055, -85.019)  ( 0.01,  0.04,  0.01)
170:     bond    ( -2.350,  35.403, -10.280)  ( -2.350,  35.416, -10.279)  ( 0.00,  0.04,  0.01)
170:     angle   ( -5.201,  -7.746, -25.504)  ( -5.198,  -7.746, -25.500)  ( 0.06,  0.00,  0.01)
170:     torsion (-15.969, -16.076, -51.740)  (-15.969, -16.077, -51.740)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-12.668,  17.462,   2.500)  (-12.667,  17.462,   2.500)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 62       (-15.019, -62.910, -10.944)  (-15.015, -62.898, -10.940)  ( 0.03,  0.02,  0.04)
170:     bond    (  9.749, -31.825,  15.219)  (  9.750, -31.815,  15.221)  ( 0.01,  0.03,  0.01)
170:     angle   ( -8.627,   5.965,  17.990)  ( -8.625,   5.965,  17.993)  ( 0.03,  0.01,  0.01)
170:     torsion (-15.181, -21.195, -34.574)  (-15.181, -21.194, -34.575)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.960, -15.855,  -9.579)  ( -0.960, -15.854,  -9.579)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 63       (-28.471,  30.602, -47.591)  (-28.466,  30.605, -47.578)  ( 0.02,  0.01,  0.03)
170:     bond    (-13.150,  -6.799, -35.271)  (-13.148,  -6.799, -35.260)  ( 0.01,  0.00,  0.03)
170:     angle   (-17.889,  11.898,   4.374)  (-17.886,  11.901,   4.375)  ( 0.01,  0.02,  0.01)
170:     torsion ( -4.815,  38.873,  -5.700)  ( -4.815,  38.873,  -5.700)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  7.383, -13.370, -10.993)  (  7.384, -13.369, -10.993)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 64       ( 12.189,  96.663, -26.883)  ( 12.188,  96.685, -26.877)  ( 0.00,  0.02,  0.02)
170:     bond    (  8.251,  84.539, -22.501)  (  8.251,  84.561, -22.500)  ( 0.00,  0.03,  0.00)
170:     angle   (  2.144, -11.923, -44.028)  (  2.144, -11.923, -44.025)  ( 0.00,  0.00,  0.01)
170:     torsion (  0.474,  -0.037,   0.033)  (  0.474,  -0.037,   0.033)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.319,  24.085,  39.613)  (  1.319,  24.085,  39.614)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 65       (-284.611,  11.023, 333.937)  (-284.581,  11.023, 333.948)  ( 0.01,  0.00,  0.00)
170:     bond    (  9.512,   1.540,  -0.214)  (  9.534,   1.541,  -0.214)  ( 0.24,  0.04,  0.00)
170:     angle   ( -0.345,   0.715, -10.236)  ( -0.345,   0.715, -10.232)  ( 0.00,  0.00,  0.04)
170:     torsion ( -0.025,   0.154,   0.012)  ( -0.025,   0.154,   0.012)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-293.753,   8.613, 344.376)  (-293.745,   8.613, 344.383)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 14 # gradients 
170: ok 15 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (301.772, 181.352,  45.300)  (301.694, 180.986,  45.998)  ( 0.03,  0.20,  1.54)
170:     bond    ( -1.833,  -0.557,  -0.639)  ( -1.799,  -0.537,  -0.631)  ( 1.87,  1.12,  0.49)
170:     angle   (290.509, 137.927, 119.299)  (290.523, 137.938, 119.304)  ( 0.00,  0.01,  0.00)
170:     torsion ( 12.278,  42.204, -69.671)  ( 12.279,  42.210, -69.655)  ( 0.00,  0.01,  0.02)
170:     oop     (  0.666,   2.233,  -3.691)  (  0.540,   1.829,  -3.022)  ( 8.41, 18.09, 18.14)
170:     vdw     (  0.152,  -0.454,   0.002)  (  0.152,  -0.454,   0.002)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (-247.311, -31.248,  77.114)  (-247.151, -30.869,  76.570)  ( 0.06,  1.21,  0.70)
170:     bond    (  2.768,   2.470,   2.169)  (  2.795,   2.489,   2.176)  ( 0.97,  0.79,  0.33)
170:     angle   (-228.121,  23.105, -12.124)  (-228.109,  23.115, -12.121)  ( 0.01,  0.04,  0.03)
170:     torsion (-18.738, -51.579,  86.865)  (-18.737, -51.574,  86.881)  ( 0.00,  0.01,  0.02)
170:     oop     ( -0.643,  -1.871,   3.129)  ( -0.523,  -1.527,   2.559)  ( 7.71, 18.39, 18.22)
170:     vdw     ( -2.578,  -3.373,  -2.925)  ( -2.577,  -3.373,  -2.925)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       ( 53.994, 107.586, -72.680)  ( 53.960, 107.403, -72.295)  ( 0.06,  0.17,  0.53)
170:     bond    (  4.664,  -1.988,  -0.584)  (  4.689,  -1.967,  -0.575)  ( 0.53,  1.05,  0.52)
170:     angle   ( 30.408,  40.045,  38.844)  ( 30.422,  40.056,  38.849)  ( 0.05,  0.03,  0.01)
170:     torsion ( 23.917,  67.645, -110.408)  ( 23.918,  67.650, -110.396)  ( 0.00,  0.01,  0.01)
170:     oop     (  0.405,   1.150,  -1.877)  (  0.331,   0.931,  -1.519)  ( 3.03, 19.03, 19.05)
170:     vdw     ( -5.400,   0.733,   1.346)  ( -5.400,   0.733,   1.346)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       (-219.542, -42.542, -106.540)  (-219.533, -42.595, -106.018)  ( 0.00,  0.13,  0.49)
170:     bond    (  9.694,   0.197,   1.892)  (  9.728,   0.218,   1.902)  ( 0.34,  0.41,  0.51)
170:     angle   (-225.909, -61.230, -28.678)  (-225.892, -61.214, -28.674)  ( 0.01,  0.03,  0.01)
170:     torsion (  5.825,  17.750, -74.597)  (  5.826,  17.757, -74.582)  ( 0.01,  0.04,  0.02)
170:     oop     (  0.187,   0.512,  -1.976)  (  0.145,   0.414,  -1.483)  ( 0.77,  4.98, 24.96)
170:     vdw     ( -9.340,   0.229,  -3.180)  ( -9.339,   0.229,  -3.180)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-103.988, -378.716, -28.757)  (-103.811, -378.276, -29.357)  ( 0.17,  0.12,  2.09)
170:     bond    (  5.906,  -1.531,   0.403)  (  5.943,  -1.502,   0.415)  ( 0.63,  1.85,  0.49)
170:     angle   (-74.604, -284.643, -178.344)  (-74.592, -284.628, -178.339)  ( 0.02,  0.01,  0.00)
170:     torsion (-28.510, -93.641, 147.850)  (-28.509, -93.635, 147.866)  ( 0.00,  0.01,  0.01)
170:     oop     ( -0.683,  -2.271,   3.669)  ( -0.556,  -1.881,   3.036)  ( 8.64, 17.19, 17.27)
170:     vdw     ( -6.097,   3.370,  -2.335)  ( -6.097,   3.371,  -2.335)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (234.949,  78.410, 194.466)  (235.045,  78.340, 193.137)  ( 0.04,  0.09,  0.68)
170:     bond    (-10.131,  -0.808,   0.668)  (-10.097,  -0.779,   0.668)  ( 0.34,  2.32,  0.03)
170:     angle   (234.241,  52.030,  46.614)  (234.258,  52.048,  46.615)  ( 0.01,  0.04,  0.00)
170:     torsion (  0.764,  25.463, 141.630)  (  0.765,  25.465, 141.650)  ( 0.02,  0.01,  0.01)
170:     oop     ( -0.150,   0.547,   6.594)  ( -0.106,   0.427,   5.244)  ( 0.65,  6.52, 20.47)
170:     vdw     ( 10.225,   1.178,  -1.039)  ( 10.225,   1.178,  -1.039)  ( 0.00,  0.02,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (103.309, 319.286, -232.860)  (103.306, 319.605, -231.042)  ( 0.00,  0.10,  0.78)
170:     bond    ( -5.496,   0.840,  -0.583)  ( -5.457,   0.878,  -0.582)  ( 0.70,  3.22,  0.04)
170:     angle   ( 99.415, 352.868, -36.595)  ( 99.427, 352.888, -36.595)  ( 0.01,  0.01,  0.00)
170:     torsion (  2.400, -30.742, -183.519)  (  2.401, -30.741, -183.498)  ( 0.01,  0.00,  0.01)
170:     oop     (  0.033,  -1.277,  -9.904)  ( -0.021,  -1.017,  -8.109)  ( 0.18, 20.38, 18.12)
170:     vdw     (  6.957,  -2.403,  -2.258)  (  6.957,  -2.403,  -2.258)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (-313.516, -162.733, 107.280)  (-313.485, -162.746, 106.724)  ( 0.01,  0.01,  0.52)
170:     bond    (  1.436,   0.669,  -0.084)  (  1.470,   0.696,  -0.084)  ( 2.43,  1.81,  0.00)
170:     angle   (-316.967, -170.821,  23.120)  (-316.952, -170.805,  23.121)  ( 0.00,  0.01,  0.00)
170:     torsion (  2.083,   6.673,  80.649)  (  2.083,   6.673,  80.671)  ( 0.00,  0.00,  0.03)
170:     oop     (  0.128,   0.337,   3.437)  (  0.110,   0.281,   2.859)  ( 0.23,  1.88, 16.84)
170:     vdw     ( -0.195,   0.410,   0.157)  ( -0.195,   0.410,   0.157)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (239.221, -18.397,  66.490)  (239.245, -18.405,  66.061)  ( 0.01,  0.05,  0.65)
170:     bond    ( -2.872,  -3.159,   0.473)  ( -2.844,  -3.133,   0.474)  ( 0.96,  0.82,  0.01)
170:     angle   (236.450, -26.016,   1.239)  (236.462, -26.003,   1.239)  ( 0.01,  0.05,  0.03)
170:     torsion (  2.401,   6.602,  63.163)  (  2.401,   6.602,  63.184)  ( 0.00,  0.00,  0.03)
170:     oop     (  0.090,   0.271,   2.597)  (  0.073,   0.223,   2.146)  ( 0.15,  1.31, 17.36)
170:     vdw     (  3.153,   3.905,  -0.983)  (  3.153,   3.905,  -0.983)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (-58.372, -59.689, -117.312)  (-58.318, -59.555, -116.461)  ( 0.09,  0.22,  0.72)
170:     bond    ( -4.647,   1.930,  -0.560)  ( -4.622,   1.958,  -0.559)  ( 0.55,  1.48,  0.03)
170:     angle   (-52.538, -44.247,  17.989)  (-52.523, -44.233,  17.990)  ( 0.03,  0.03,  0.01)
170:     torsion ( -6.022, -15.499, -132.273)  ( -6.022, -15.498, -132.259)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.077,  -0.470,  -4.290)  ( -0.064,  -0.379,  -3.455)  ( 0.10,  4.29, 19.46)
170:     vdw     (  4.912,  -1.402,   1.822)  (  4.913,  -1.402,   1.822)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (-151.248, -155.360,  -2.039)  (-151.224, -155.355,  -2.266)  ( 0.02,  0.00, 11.15)
170:     bond    (  0.883,   8.752,  -1.624)  (  0.901,   8.774,  -1.606)  ( 1.55,  0.24,  1.12)
170:     angle   (-164.678, -149.716,  -0.681)  (-164.668, -149.706,  -0.675)  ( 0.01,  0.01,  0.40)
170:     torsion ( 10.920,  -5.505,  -3.117)  ( 10.918,  -5.505,  -3.116)  ( 0.01,  0.01,  0.03)
170:     oop     (  0.013,   0.092,   0.954)  (  0.011,   0.067,   0.702)  ( 0.00,  0.23, 24.07)
170:     vdw     (  1.614,  -8.984,   2.429)  (  1.614,  -8.984,   2.429)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       ( 13.751, -24.647, -39.803)  ( 13.766, -24.624, -39.582)  ( 0.11,  0.09,  0.56)
170:     bond    ( -0.858,  -0.484,   0.045)  ( -0.847,  -0.480,   0.045)  ( 0.97,  0.18,  0.00)
170:     angle   ( 11.796, -20.447,   3.862)  ( 11.797, -20.444,   3.862)  ( 0.01,  0.02,  0.01)
170:     torsion ( -0.709,  -2.781, -43.150)  ( -0.709,  -2.781, -43.144)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.009,  -0.053,  -0.741)  ( -0.007,  -0.037,  -0.525)  ( 0.00,  0.09, 15.98)
170:     vdw     (  3.531,  -0.882,   0.180)  (  3.531,  -0.882,   0.180)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (-34.984, -37.445,  -8.191)  (-34.968, -37.411,  -7.953)  ( 0.05,  0.09,  2.90)
170:     bond    ( -2.120,   1.944,  -0.158)  ( -2.112,   1.950,  -0.158)  ( 0.38,  0.35,  0.00)
170:     angle   (-35.398, -37.804,   6.546)  (-35.397, -37.802,   6.545)  ( 0.00,  0.01,  0.00)
170:     torsion ( -0.309,  -1.427, -13.490)  ( -0.309,  -1.427, -13.484)  ( 0.00,  0.01,  0.04)
170:     oop     ( -0.021,  -0.100,  -0.952)  ( -0.015,  -0.075,  -0.719)  ( 0.01,  0.25, 22.11)
170:     vdw     (  2.865,  -0.058,  -0.137)  (  2.865,  -0.058,  -0.137)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       (166.639, 130.450,  95.534)  (166.694, 130.564,  95.423)  ( 0.03,  0.09,  0.12)
170:     bond    ( -0.427,  -7.502,  -4.745)  ( -0.410,  -7.481,  -4.726)  ( 0.73,  0.28,  0.40)
170:     angle   (171.435, 135.443,  86.513)  (171.445, 135.451,  86.520)  ( 0.01,  0.01,  0.01)
170:     torsion ( -1.753,  -4.467,   7.534)  ( -1.753,  -4.466,   7.537)  ( 0.01,  0.02,  0.03)
170:     oop     ( -0.107,  -0.320,   0.527)  ( -0.079,  -0.235,   0.388)  ( 0.30,  2.71,  7.32)
170:     vdw     ( -2.509,   7.296,   5.704)  ( -2.508,   7.296,   5.704)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       (-13.714,  13.703,  11.933)  (-13.644,  13.889,  11.645)  ( 0.51,  1.35,  2.42)
170:     bond    (  0.886,   0.415,   0.424)  (  0.896,   0.417,   0.427)  ( 0.92,  0.09,  0.10)
170:     angle   (-10.001,  17.493,   3.901)  ( -9.999,  17.496,   3.901)  ( 0.01,  0.01,  0.01)
170:     torsion ( -1.208,  -4.254,   6.691)  ( -1.207,  -4.253,   6.695)  ( 0.01,  0.04,  0.07)
170:     oop     ( -0.196,  -0.624,   1.022)  ( -0.139,  -0.445,   0.726)  ( 1.13, 11.17, 28.95)
170:     vdw     ( -3.195,   0.674,  -0.104)  ( -3.195,   0.674,  -0.104)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       ( 32.568,  31.600,  21.423)  ( 32.536,  31.483,  21.634)  ( 0.10,  0.37,  0.98)
170:     bond    (  2.020,  -1.650,  -0.589)  (  2.029,  -1.644,  -0.588)  ( 0.43,  0.34,  0.04)
170:     angle   ( 32.320,  30.184,  27.103)  ( 32.321,  30.186,  27.104)  ( 0.00,  0.00,  0.00)
170:     torsion (  0.868,   2.390,  -3.694)  (  0.868,   2.391,  -3.690)  ( 0.01,  0.06,  0.11)
170:     oop     (  0.170,   0.510,  -0.839)  (  0.128,   0.384,  -0.634)  ( 0.72,  6.42, 17.23)
170:     vdw     ( -2.810,   0.165,  -0.558)  ( -2.810,   0.166,  -0.558)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       ( 83.517,  16.992, -11.075)  ( 83.468,  16.852, -10.802)  ( 0.06,  0.82,  2.46)
170:     bond    ( -0.553,   4.541,   2.614)  ( -0.553,   4.557,   2.619)  ( 0.01,  0.36,  0.21)
170:     angle   ( 82.083,  -0.222,  17.717)  ( 82.087,  -0.222,  17.717)  ( 0.01,  0.00,  0.00)
170:     torsion (  5.269,  15.175, -25.296)  (  5.270,  15.177, -25.292)  ( 0.00,  0.01,  0.02)
170:     oop     (  0.230,   0.713,  -1.192)  (  0.176,   0.555,  -0.929)  ( 1.25, 11.24, 22.05)
170:     vdw     ( -3.512,  -3.215,  -4.917)  ( -3.512,  -3.215,  -4.917)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       (-90.967,  16.173, 118.304)  (-90.929,  16.057, 117.521)  ( 0.04,  0.72,  0.66)
170:     bond    (  0.210,  -4.745,   0.834)  (  0.210,  -4.724,   0.834)  ( 0.00,  0.45,  0.06)
170:     angle   (-93.772,  -4.843,  -3.809)  (-93.768,  -4.843,  -3.809)  ( 0.00,  0.00,  0.00)
170:     torsion ( -1.467,  21.186, 120.314)  ( -1.467,  21.186, 120.320)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.035,   0.621,   3.525)  ( -0.002,   0.483,   2.736)  ( 0.12,  8.56, 22.38)
170:     vdw     (  4.097,   3.955,  -2.560)  (  4.097,   3.955,  -2.560)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       (-87.215, -43.200, -51.128)  (-87.208, -43.194, -51.123)  ( 0.01,  0.01,  0.01)
170:     bond    ( -0.306,   0.292,   0.237)  ( -0.301,   0.298,   0.240)  ( 0.16,  0.15,  0.08)
170:     angle   (-88.178, -61.843, -33.686)  (-88.176, -61.842, -33.684)  ( 0.00,  0.00,  0.00)
170:     torsion ( -1.338,  15.260, -20.588)  ( -1.338,  15.260, -20.588)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.607,   3.090,   2.908)  (  2.607,   3.090,   2.908)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       (-27.197, -58.402,  -2.711)  (-27.190, -58.398,  -2.703)  ( 0.02,  0.01,  0.29)
170:     bond    ( -1.957,   0.921,  -2.164)  ( -1.952,   0.923,  -2.157)  ( 0.29,  0.12,  0.32)
170:     angle   ( -7.421, -59.431, -18.712)  ( -7.420, -59.428, -18.711)  ( 0.01,  0.00,  0.00)
170:     torsion (-18.345,  -1.997,  15.745)  (-18.345,  -1.997,  15.745)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.527,   2.104,   2.420)  (  0.527,   2.104,   2.420)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       ( 11.122, -50.089, -42.997)  ( 11.128, -50.082, -42.990)  ( 0.05,  0.01,  0.02)
170:     bond    ( -1.164,  -1.398,   1.214)  ( -1.160,  -1.393,   1.218)  ( 0.34,  0.40,  0.36)
170:     angle   ( -6.372, -37.992, -49.495)  ( -6.370, -37.991, -49.493)  ( 0.02,  0.00,  0.00)
170:     torsion ( 19.921, -12.925,   4.198)  ( 19.921, -12.925,   4.198)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.263,   2.227,   1.086)  ( -1.263,   2.227,   1.086)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       ( -0.246,  86.674,  -3.924)  ( -0.234,  86.677,  -3.920)  ( 0.28,  0.00,  0.10)
170:     bond    (  2.839,   0.011,  -1.453)  (  2.850,   0.011,  -1.450)  ( 0.39,  0.00,  0.20)
170:     angle   ( -1.405,  90.865,  -2.095)  ( -1.405,  90.868,  -2.094)  ( 0.03,  0.00,  0.07)
170:     torsion ( -1.193,   0.324,  -2.342)  ( -1.193,   0.324,  -2.343)  ( 0.01,  0.00,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.486,  -4.526,   1.966)  ( -0.486,  -4.526,   1.966)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       ( 29.339,  28.487, -18.032)  ( 29.341,  28.492, -18.020)  ( 0.01,  0.02,  0.07)
170:     bond    (  0.383,   0.838,   1.790)  (  0.383,   0.841,   1.801)  ( 0.02,  0.20,  0.61)
170:     angle   ( 32.234,  27.224, -19.575)  ( 32.235,  27.226, -19.574)  ( 0.01,  0.01,  0.00)
170:     torsion ( -2.678,   1.270,  -0.022)  ( -2.679,   1.269,  -0.022)  ( 0.02,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.599,  -0.845,  -0.224)  ( -0.599,  -0.845,  -0.224)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       ( 77.507,  51.153,  -0.184)  ( 77.512,  51.160,  -0.179)  ( 0.01,  0.01,  0.09)
170:     bond    (  0.256,  -0.376,   0.294)  (  0.259,  -0.370,   0.298)  ( 0.08,  0.24,  0.12)
170:     angle   ( 84.291,  51.889,  -9.001)  ( 84.293,  51.890,  -9.000)  ( 0.00,  0.00,  0.01)
170:     torsion ( -4.380,   2.836,   7.322)  ( -4.381,   2.836,   7.322)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -2.659,  -3.197,   1.201)  ( -2.659,  -3.197,   1.201)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 16 # gradients 
170: ok 17 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (298.150,  97.504, -27.328)  (298.201,  97.544, -27.307)  ( 0.02,  0.04,  0.08)
170:     bond    (270.148,  57.230, -74.029)  (270.176,  57.253, -74.018)  ( 0.01,  0.04,  0.01)
170:     angle   ( -0.641,   0.285,  -0.163)  ( -0.629,   0.299,  -0.154)  ( 0.77,  0.40,  0.14)
170:     torsion ( -0.291,   0.285,   0.476)  ( -0.286,   0.290,   0.487)  ( 0.15,  0.15,  0.51)
170:     oop     ( -0.005,   0.008,   0.016)  (  0.000,   0.003,   0.007)  ( 0.00,  0.00,  0.01)
170:     vdw     ( 28.939,  39.697,  46.371)  ( 28.940,  39.698,  46.372)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       ( -0.049, 281.242, -143.091)  ( -0.000, 281.292, -143.058)  ( 0.24,  0.02,  0.02)
170:     bond    ( -0.026, 223.722, -177.596)  (  0.000, 223.752, -177.591)  ( 0.07,  0.01,  0.00)
170:     angle   ( -0.016,   0.102,  -0.415)  ( -0.000,   0.115,  -0.410)  ( 0.03,  0.14,  0.23)
170:     torsion ( -0.005,  -0.107,  -0.352)  (  0.000,  -0.104,  -0.338)  ( 0.00,  0.03,  0.48)
170:     oop     ( -0.000,  -0.006,  -0.013)  (  0.000,  -0.004,  -0.005)  ( 0.00,  0.00,  0.01)
170:     vdw     ( -0.002,  57.531,  35.285)  ( -0.000,  57.532,  35.285)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       ( -0.049, -281.337, -143.091)  (  0.000, -281.292, -143.058)  ( 0.24,  0.02,  0.02)
170:     bond    ( -0.026, -223.783, -177.596)  (  0.000, -223.752, -177.591)  ( 0.07,  0.01,  0.00)
170:     angle   ( -0.016,  -0.129,  -0.415)  ( -0.000,  -0.115,  -0.410)  ( 0.03,  0.17,  0.23)
170:     torsion ( -0.005,   0.101,  -0.352)  (  0.000,   0.104,  -0.338)  ( 0.00,  0.03,  0.48)
170:     oop     ( -0.000,   0.006,  -0.013)  (  0.000,   0.004,  -0.005)  ( 0.00,  0.00,  0.01)
170:     vdw     ( -0.002, -57.533,  35.285)  ( -0.000, -57.532,  35.285)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       (298.150, -97.594, -27.328)  (298.201, -97.544, -27.307)  ( 0.02,  0.05,  0.08)
170:     bond    (270.148, -57.277, -74.029)  (270.176, -57.253, -74.018)  ( 0.01,  0.04,  0.01)
170:     angle   ( -0.641,  -0.313,  -0.163)  ( -0.629,  -0.299,  -0.154)  ( 0.77,  0.44,  0.14)
170:     torsion ( -0.291,  -0.295,   0.476)  ( -0.286,  -0.290,   0.487)  ( 0.15,  0.16,  0.51)
170:     oop     ( -0.005,  -0.008,   0.016)  (  0.000,  -0.003,   0.007)  ( 0.00,  0.00,  0.01)
170:     vdw     ( 28.939, -39.700,  46.371)  ( 28.940, -39.698,  46.372)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-156.771, 186.884, -202.167)  (-156.738, 186.928, -202.126)  ( 0.02,  0.02,  0.02)
170:     bond    (-92.784, 168.051, -212.764)  (-92.764, 168.078, -212.748)  ( 0.02,  0.02,  0.01)
170:     angle   ( -0.061,   0.692,   0.134)  ( -0.050,   0.706,   0.143)  ( 0.07,  0.99,  0.12)
170:     torsion (  0.267,   0.221,  -0.320)  (  0.273,   0.226,  -0.310)  ( 0.16,  0.11,  0.32)
170:     oop     (  0.007,   0.003,  -0.009)  (  0.003,  -0.001,  -0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     (-64.201,  17.918,  10.792)  (-64.200,  17.919,  10.792)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (-156.771, -186.980, -202.167)  (-156.738, -186.928, -202.126)  ( 0.02,  0.03,  0.02)
170:     bond    (-92.784, -168.105, -212.764)  (-92.764, -168.078, -212.748)  ( 0.02,  0.02,  0.01)
170:     angle   ( -0.061,  -0.721,   0.134)  ( -0.050,  -0.706,   0.143)  ( 0.07,  1.04,  0.12)
170:     torsion (  0.267,  -0.231,  -0.320)  (  0.273,  -0.226,  -0.310)  ( 0.16,  0.12,  0.32)
170:     oop     (  0.007,  -0.003,  -0.009)  (  0.003,   0.001,  -0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     (-64.201, -17.920,  10.792)  (-64.200, -17.919,  10.792)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (-298.242,  97.504, -27.328)  (-298.201,  97.544, -27.307)  ( 0.01,  0.04,  0.08)
170:     bond    (-270.205,  57.230, -74.029)  (-270.176,  57.253, -74.018)  ( 0.01,  0.04,  0.01)
170:     angle   (  0.617,   0.285,  -0.163)  (  0.629,   0.299,  -0.154)  ( 0.74,  0.40,  0.14)
170:     torsion (  0.281,   0.285,   0.476)  (  0.286,   0.290,   0.487)  ( 0.14,  0.15,  0.51)
170:     oop     (  0.005,   0.008,   0.016)  ( -0.000,   0.003,   0.007)  ( 0.00,  0.00,  0.01)
170:     vdw     (-28.940,  39.697,  46.371)  (-28.940,  39.698,  46.372)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (-298.242, -97.594, -27.328)  (-298.201, -97.544, -27.307)  ( 0.01,  0.05,  0.08)
170:     bond    (-270.205, -57.277, -74.029)  (-270.176, -57.253, -74.018)  ( 0.01,  0.04,  0.01)
170:     angle   (  0.617,  -0.313,  -0.163)  (  0.629,  -0.299,  -0.154)  ( 0.74,  0.44,  0.14)
170:     torsion (  0.281,  -0.295,   0.476)  (  0.286,  -0.290,   0.487)  ( 0.14,  0.16,  0.51)
170:     oop     (  0.005,  -0.008,   0.016)  ( -0.000,  -0.003,   0.007)  ( 0.00,  0.00,  0.01)
170:     vdw     (-28.940, -39.700,  46.371)  (-28.940, -39.698,  46.372)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (186.884, 202.096, 156.695)  (186.928, 202.126, 156.738)  ( 0.02,  0.02,  0.03)
170:     bond    (168.051, 212.732,  92.745)  (168.078, 212.748,  92.764)  ( 0.02,  0.01,  0.02)
170:     angle   (  0.692,  -0.152,   0.038)  (  0.706,  -0.143,   0.050)  ( 0.99,  0.14,  0.04)
170:     torsion (  0.221,   0.300,  -0.279)  (  0.226,   0.310,  -0.273)  ( 0.11,  0.30,  0.17)
170:     oop     (  0.003,   0.008,  -0.008)  ( -0.001,   0.003,  -0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 17.918, -10.793,  64.199)  ( 17.919, -10.792,  64.200)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       ( 27.266, 298.150,  97.504)  ( 27.307, 298.201,  97.544)  ( 0.15,  0.02,  0.04)
170:     bond    ( 74.008, 270.148,  57.230)  ( 74.018, 270.176,  57.253)  ( 0.01,  0.01,  0.04)
170:     angle   (  0.145,  -0.641,   0.285)  (  0.154,  -0.629,   0.299)  ( 0.13,  0.77,  0.40)
170:     torsion ( -0.498,  -0.291,   0.285)  ( -0.487,  -0.286,   0.290)  ( 0.53,  0.15,  0.15)
170:     oop     ( -0.016,  -0.005,   0.008)  ( -0.007,   0.000,   0.003)  ( 0.02,  0.00,  0.00)
170:     vdw     (-46.373,  28.939,  39.697)  (-46.372,  28.940,  39.698)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       ( 27.266, -298.242,  97.504)  ( 27.307, -298.201,  97.544)  ( 0.15,  0.01,  0.04)
170:     bond    ( 74.008, -270.205,  57.230)  ( 74.018, -270.176,  57.253)  ( 0.01,  0.01,  0.04)
170:     angle   (  0.145,   0.617,   0.285)  (  0.154,   0.629,   0.299)  ( 0.13,  0.74,  0.40)
170:     torsion ( -0.498,   0.281,   0.285)  ( -0.487,   0.286,   0.290)  ( 0.53,  0.14,  0.15)
170:     oop     ( -0.016,   0.005,   0.008)  ( -0.007,  -0.000,   0.003)  ( 0.02,  0.00,  0.00)
170:     vdw     (-46.373, -28.940,  39.697)  (-46.372, -28.940,  39.698)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (186.884, -202.167, 156.695)  (186.928, -202.126, 156.738)  ( 0.02,  0.02,  0.03)
170:     bond    (168.051, -212.764,  92.745)  (168.078, -212.748,  92.764)  ( 0.02,  0.01,  0.02)
170:     angle   (  0.692,   0.134,   0.038)  (  0.706,   0.143,   0.050)  ( 0.99,  0.12,  0.04)
170:     torsion (  0.221,  -0.320,  -0.279)  (  0.226,  -0.310,  -0.273)  ( 0.11,  0.32,  0.17)
170:     oop     (  0.003,  -0.009,  -0.008)  ( -0.001,  -0.003,  -0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 17.918,  10.792,  64.199)  ( 17.919,  10.792,  64.200)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (202.096, -156.771, -186.980)  (202.126, -156.738, -186.928)  ( 0.02,  0.02,  0.03)
170:     bond    (212.732, -92.784, -168.105)  (212.748, -92.764, -168.078)  ( 0.01,  0.02,  0.02)
170:     angle   ( -0.152,  -0.061,  -0.721)  ( -0.143,  -0.050,  -0.706)  ( 0.14,  0.07,  1.04)
170:     torsion (  0.300,   0.267,  -0.231)  (  0.310,   0.273,  -0.226)  ( 0.30,  0.16,  0.12)
170:     oop     (  0.008,   0.007,  -0.003)  (  0.003,   0.003,   0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.793, -64.201, -17.920)  (-10.792, -64.200, -17.919)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       (-97.594,  27.266, -298.242)  (-97.544,  27.307, -298.201)  ( 0.05,  0.15,  0.01)
170:     bond    (-57.277,  74.008, -270.205)  (-57.253,  74.018, -270.176)  ( 0.04,  0.01,  0.01)
170:     angle   ( -0.313,   0.145,   0.617)  ( -0.299,   0.154,   0.629)  ( 0.44,  0.13,  0.74)
170:     torsion ( -0.295,  -0.498,   0.281)  ( -0.290,  -0.487,   0.286)  ( 0.16,  0.53,  0.14)
170:     oop     ( -0.008,  -0.016,   0.005)  ( -0.003,  -0.007,  -0.000)  ( 0.00,  0.02,  0.00)
170:     vdw     (-39.700, -46.373, -28.940)  (-39.698, -46.372, -28.940)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       (202.096, -156.771, 186.884)  (202.126, -156.738, 186.928)  ( 0.02,  0.02,  0.02)
170:     bond    (212.732, -92.784, 168.051)  (212.748, -92.764, 168.078)  ( 0.01,  0.02,  0.02)
170:     angle   ( -0.152,  -0.061,   0.692)  ( -0.143,  -0.050,   0.706)  ( 0.14,  0.07,  0.99)
170:     torsion (  0.300,   0.267,   0.221)  (  0.310,   0.273,   0.226)  ( 0.30,  0.16,  0.11)
170:     oop     (  0.008,   0.007,   0.003)  (  0.003,   0.003,  -0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.793, -64.201,  17.918)  (-10.792, -64.200,  17.919)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       (-281.337, 143.041,  -0.049)  (-281.292, 143.058,   0.000)  ( 0.02,  0.01,  0.24)
170:     bond    (-223.783, 177.585,  -0.026)  (-223.752, 177.591,   0.000)  ( 0.01,  0.00,  0.07)
170:     angle   ( -0.129,   0.404,  -0.016)  ( -0.115,   0.410,   0.000)  ( 0.17,  0.23,  0.03)
170:     torsion (  0.101,   0.325,  -0.005)  (  0.104,   0.338,   0.000)  ( 0.03,  0.44,  0.00)
170:     oop     (  0.006,   0.012,  -0.000)  (  0.004,   0.005,  -0.000)  ( 0.00,  0.01,  0.00)
170:     vdw     (-57.533, -35.285,  -0.002)  (-57.532, -35.285,  -0.000)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       (156.695, -186.980, -202.167)  (156.738, -186.928, -202.126)  ( 0.03,  0.03,  0.02)
170:     bond    ( 92.745, -168.105, -212.764)  ( 92.764, -168.078, -212.748)  ( 0.02,  0.02,  0.01)
170:     angle   (  0.038,  -0.721,   0.134)  (  0.050,  -0.706,   0.143)  ( 0.04,  1.04,  0.12)
170:     torsion ( -0.279,  -0.231,  -0.320)  ( -0.273,  -0.226,  -0.310)  ( 0.17,  0.12,  0.32)
170:     oop     ( -0.008,  -0.003,  -0.009)  ( -0.003,   0.001,  -0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 64.199, -17.920,  10.792)  ( 64.200, -17.919,  10.792)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       (-186.980, 202.096, 156.695)  (-186.928, 202.126, 156.738)  ( 0.03,  0.02,  0.03)
170:     bond    (-168.105, 212.732,  92.745)  (-168.078, 212.748,  92.764)  ( 0.02,  0.01,  0.02)
170:     angle   ( -0.721,  -0.152,   0.038)  ( -0.706,  -0.143,   0.050)  ( 1.04,  0.14,  0.04)
170:     torsion ( -0.231,   0.300,  -0.279)  ( -0.226,   0.310,  -0.273)  ( 0.12,  0.30,  0.17)
170:     oop     ( -0.003,   0.008,  -0.008)  (  0.001,   0.003,  -0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     (-17.920, -10.793,  64.199)  (-17.919, -10.792,  64.200)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       (-97.594,  27.266, 298.150)  (-97.544,  27.307, 298.201)  ( 0.05,  0.15,  0.02)
170:     bond    (-57.277,  74.008, 270.148)  (-57.253,  74.018, 270.176)  ( 0.04,  0.01,  0.01)
170:     angle   ( -0.313,   0.145,  -0.641)  ( -0.299,   0.154,  -0.629)  ( 0.44,  0.13,  0.77)
170:     torsion ( -0.295,  -0.498,  -0.291)  ( -0.290,  -0.487,  -0.286)  ( 0.16,  0.53,  0.15)
170:     oop     ( -0.008,  -0.016,  -0.005)  ( -0.003,  -0.007,   0.000)  ( 0.00,  0.02,  0.00)
170:     vdw     (-39.700, -46.373,  28.939)  (-39.698, -46.372,  28.940)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       ( 97.504,  27.266, -298.242)  ( 97.544,  27.307, -298.201)  ( 0.04,  0.15,  0.01)
170:     bond    ( 57.230,  74.008, -270.205)  ( 57.253,  74.018, -270.176)  ( 0.04,  0.01,  0.01)
170:     angle   (  0.285,   0.145,   0.617)  (  0.299,   0.154,   0.629)  ( 0.40,  0.13,  0.74)
170:     torsion (  0.285,  -0.498,   0.281)  (  0.290,  -0.487,   0.286)  ( 0.15,  0.53,  0.14)
170:     oop     (  0.008,  -0.016,   0.005)  (  0.003,  -0.007,  -0.000)  ( 0.00,  0.02,  0.00)
170:     vdw     ( 39.697, -46.373, -28.940)  ( 39.698, -46.372, -28.940)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       (156.695, 186.884, -202.167)  (156.738, 186.928, -202.126)  ( 0.03,  0.02,  0.02)
170:     bond    ( 92.745, 168.051, -212.764)  ( 92.764, 168.078, -212.748)  ( 0.02,  0.02,  0.01)
170:     angle   (  0.038,   0.692,   0.134)  (  0.050,   0.706,   0.143)  ( 0.04,  0.99,  0.12)
170:     torsion ( -0.279,   0.221,  -0.320)  ( -0.273,   0.226,  -0.310)  ( 0.17,  0.11,  0.32)
170:     oop     ( -0.008,   0.003,  -0.009)  ( -0.003,  -0.001,  -0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 64.199,  17.918,  10.792)  ( 64.200,  17.919,  10.792)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       (143.041,  -0.049, 281.242)  (143.058,  -0.000, 281.292)  ( 0.01,  0.24,  0.02)
170:     bond    (177.585,  -0.026, 223.722)  (177.591,   0.000, 223.752)  ( 0.00,  0.07,  0.01)
170:     angle   (  0.404,  -0.016,   0.102)  (  0.410,  -0.000,   0.115)  ( 0.23,  0.03,  0.14)
170:     torsion (  0.325,  -0.005,  -0.107)  (  0.338,   0.000,  -0.104)  ( 0.44,  0.00,  0.03)
170:     oop     (  0.012,  -0.000,  -0.006)  (  0.005,   0.000,  -0.004)  ( 0.01,  0.00,  0.00)
170:     vdw     (-35.285,  -0.002,  57.531)  (-35.285,   0.000,  57.532)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       (202.096, 156.695, -186.980)  (202.126, 156.738, -186.928)  ( 0.02,  0.03,  0.03)
170:     bond    (212.732,  92.745, -168.105)  (212.748,  92.764, -168.078)  ( 0.01,  0.02,  0.02)
170:     angle   ( -0.152,   0.038,  -0.721)  ( -0.143,   0.050,  -0.706)  ( 0.14,  0.04,  1.04)
170:     torsion (  0.300,  -0.279,  -0.231)  (  0.310,  -0.273,  -0.226)  ( 0.30,  0.17,  0.12)
170:     oop     (  0.008,  -0.008,  -0.003)  (  0.003,  -0.003,   0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.793,  64.199, -17.920)  (-10.792,  64.200, -17.919)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       (-27.328, -298.242,  97.504)  (-27.307, -298.201,  97.544)  ( 0.08,  0.01,  0.04)
170:     bond    (-74.029, -270.205,  57.230)  (-74.018, -270.176,  57.253)  ( 0.01,  0.01,  0.04)
170:     angle   ( -0.163,   0.617,   0.285)  ( -0.154,   0.629,   0.299)  ( 0.14,  0.74,  0.40)
170:     torsion (  0.476,   0.281,   0.285)  (  0.487,   0.286,   0.290)  ( 0.51,  0.14,  0.15)
170:     oop     (  0.016,   0.005,   0.008)  (  0.007,  -0.000,   0.003)  ( 0.01,  0.00,  0.00)
170:     vdw     ( 46.371, -28.940,  39.697)  ( 46.372, -28.940,  39.698)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       (-97.594, -27.328, -298.242)  (-97.544, -27.307, -298.201)  ( 0.05,  0.08,  0.01)
170:     bond    (-57.277, -74.029, -270.205)  (-57.253, -74.018, -270.176)  ( 0.04,  0.01,  0.01)
170:     angle   ( -0.313,  -0.163,   0.617)  ( -0.299,  -0.154,   0.629)  ( 0.44,  0.14,  0.74)
170:     torsion ( -0.295,   0.476,   0.281)  ( -0.290,   0.487,   0.286)  ( 0.16,  0.51,  0.14)
170:     oop     ( -0.008,   0.016,   0.005)  ( -0.003,   0.007,  -0.000)  ( 0.00,  0.01,  0.00)
170:     vdw     (-39.700,  46.371, -28.940)  (-39.698,  46.372, -28.940)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 26       (-186.980, -202.167, 156.695)  (-186.928, -202.126, 156.738)  ( 0.03,  0.02,  0.03)
170:     bond    (-168.105, -212.764,  92.745)  (-168.078, -212.748,  92.764)  ( 0.02,  0.01,  0.02)
170:     angle   ( -0.721,   0.134,   0.038)  ( -0.706,   0.143,   0.050)  ( 1.04,  0.12,  0.04)
170:     torsion ( -0.231,  -0.320,  -0.279)  ( -0.226,  -0.310,  -0.273)  ( 0.12,  0.32,  0.17)
170:     oop     ( -0.003,  -0.009,  -0.008)  (  0.001,  -0.003,  -0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     (-17.920,  10.792,  64.199)  (-17.919,  10.792,  64.200)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       (202.096, 156.695, 186.884)  (202.126, 156.738, 186.928)  ( 0.02,  0.03,  0.02)
170:     bond    (212.732,  92.745, 168.051)  (212.748,  92.764, 168.078)  ( 0.01,  0.02,  0.02)
170:     angle   ( -0.152,   0.038,   0.692)  ( -0.143,   0.050,   0.706)  ( 0.14,  0.04,  0.99)
170:     torsion (  0.300,  -0.279,   0.221)  (  0.310,  -0.273,   0.226)  ( 0.30,  0.17,  0.11)
170:     oop     (  0.008,  -0.008,   0.003)  (  0.003,  -0.003,  -0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.793,  64.199,  17.918)  (-10.792,  64.200,  17.919)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 28       (-281.337, -143.091,  -0.049)  (-281.292, -143.058,   0.000)  ( 0.02,  0.02,  0.24)
170:     bond    (-223.783, -177.596,  -0.026)  (-223.752, -177.591,   0.000)  ( 0.01,  0.00,  0.07)
170:     angle   ( -0.129,  -0.415,  -0.016)  ( -0.115,  -0.410,   0.000)  ( 0.17,  0.23,  0.03)
170:     torsion (  0.101,  -0.352,  -0.005)  (  0.104,  -0.338,  -0.000)  ( 0.03,  0.48,  0.00)
170:     oop     (  0.006,  -0.013,  -0.000)  (  0.004,  -0.005,  -0.000)  ( 0.00,  0.01,  0.00)
170:     vdw     (-57.533,  35.285,  -0.002)  (-57.532,  35.285,   0.000)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 29       ( 97.504, -27.328, -298.242)  ( 97.544, -27.307, -298.201)  ( 0.04,  0.08,  0.01)
170:     bond    ( 57.230, -74.029, -270.205)  ( 57.253, -74.018, -270.176)  ( 0.04,  0.01,  0.01)
170:     angle   (  0.285,  -0.163,   0.617)  (  0.299,  -0.154,   0.629)  ( 0.40,  0.14,  0.74)
170:     torsion (  0.285,   0.476,   0.281)  (  0.290,   0.487,   0.286)  ( 0.15,  0.51,  0.14)
170:     oop     (  0.008,   0.016,   0.005)  (  0.003,   0.007,  -0.000)  ( 0.00,  0.01,  0.00)
155/208 Test #171: test_formalcharge_1 ..............   Passed    0.46 sec
173: # Testing molecular formulas...
173: ok 1 # molecular formula
173: ok 2 # molecular weight
173: ok 3 # molecular exact mass
173: ok 4 # molecular hydrogen-added formula
173: ok 5 # molecule + hydrogens weight
173: ok 6 # molecular exact mass after hydrogen addition
173: ok 7 # molecular formula
173: ok 8 # molecular weight
173: ok 9 # molecular exact mass
173: ok 10 # molecular hydrogen-added formula
173: ok 11 # molecule + hydrogens weight
173: ok 12 # molecular exact mass after hydrogen addition
173: ok 13 # molecular formula
173: ok 14 # molecular weight
173: ok 15 # molecular exact mass
173: ok 16 # molecular hydrogen-added formula
173: ok 17 # molecule + hydrogens weight
173: ok 18 # molecular exact mass after hydrogen addition
173: ok 19 # molecular formula
173: ok 20 # molecular weight
173: ok 21 # molecular exact mass
173: ok 22 # molecular hydrogen-added formula
173: ok 23 # molecule + hydrogens weight
173: ok 24 # molecular exact mass after hydrogen addition
173: ok 25 # molecular formula
173: ok 26 # molecular weight
173: ok 27 # molecular exact mass
173: ok 28 # molecular hydrogen-added formula
173: ok 29 # molecule + hydrogens weight
173: ok 30 # molecular exact mass after hydrogen addition
173: ok 31 # molecular formula
173: ok 32 # molecular weight
173: ok 33 # molecular exact mass
173: ok 34 # molecular hydrogen-added formula
173: ok 35 # molecule + hydrogens weight
173: ok 36 # molecular exact mass after hydrogen addition
173: ok 37 # molecular formula
173: ok 38 # molecular weight
173: ok 39 # molecular exact mass
173: ok 40 # molecular hydrogen-added formula
173: ok 41 # molecule + hydrogens weight
173: ok 42 # molecular exact mass after hydrogen addition
173: ok 43 # molecular formula
173: ok 44 # molecular weight
173: ok 45 # molecular exact mass
173: ok 46 # molecular hydrogen-added formula
173: ok 47 # molecule + hydrogens weight
173: ok 48 # molecular exact mass after hydrogen addition
173: ok 49 # molecular formula
173: ok 50 # molecular weight
173: ok 51 # molecular exact mass
173: ok 52 # molecular hydrogen-added formula
173: ok 53 # molecule + hydrogens weight
173: ok 54 # molecular exact mass after hydrogen addition
173: ok 55 # molecular formula
173: ok 56 # molecular weight
173: ok 57 # molecular exact mass
173: ok 58 # molecular hydrogen-added formula
173: ok 59 # molecule + hydrogens weight
173: ok 60 # molecular exact mass after hydrogen addition
173: ok 61 # molecular formula
173: ok 62 # molecular weight
173: ok 63 # molecular exact mass
173: ok 64 # molecular hydrogen-added formula
173: ok 65 # molecule + hydrogens weight
173: ok 66 # molecular exact mass after hydrogen addition
173: ok 67 # molecular formula
173: ok 68 # molecular weight
173: ok 69 # molecular exact mass
173: ok 70 # molecular hydrogen-added formula
173: ok 71 # molecule + hydrogens weight
173: ok 72 # molecular exact mass after hydrogen addition
173: ok 73 # molecular formula
173: ok 74 # molecular weight
173: ok 75 # molecular exact mass
173: ok 76 # molecular hydrogen-added formula
173: ok 77 # molecule + hydrogens weight
173: ok 78 # molecular exact mass after hydrogen addition
173: ok 79 # molecular formula
173: ok 80 # molecular weight
173: ok 81 # molecular exact mass
173: ok 82 # molecular hydrogen-added formula
173: ok 83 # molecule + hydrogens weight
173: ok 84 # molecular exact mass after hydrogen addition
173: ok 85 # molecular formula
173: ok 86 # molecular weight
173: ok 87 # molecular exact mass
173: ok 88 # molecular hydrogen-added formula
173: ok 89 # molecule + hydrogens weight
173: ok 90 # molecular exact mass after hydrogen addition
173: ok 91 # molecular formula
173: ok 92 # molecular weight
173: ok 93 # molecular exact mass
173: ok 94 # molecular hydrogen-added formula
173: ok 95 # molecule + hydrogens weight
173: ok 96 # molecular exact mass after hydrogen addition
173: ok 97 # molecular formula
173: ok 98 # molecular weight
173: ok 99 # molecular exact mass
173: ok 100 # molecular hydrogen-added formula
173: ok 101 # molecule + hydrogens weight
173: ok 102 # molecular exact mass after hydrogen addition
173: ok 103 # molecular formula
173: ok 104 # molecular weight
173: ok 105 # molecular exact mass
173: ok 106 # molecular hydrogen-added formula
173: ok 107 # molecule + hydrogens weight
173: ok 108 # molecular exact mass after hydrogen addition
173: ok 109 # molecular formula
173: ok 110 # molecular weight
173: ok 111 # molecular exact mass
173: ok 112 # molecular hydrogen-added formula
173: ok 113 # molecule + hydrogens weight
173: ok 114 # molecular exact mass after hydrogen addition
173: ok 115 # molecular formula
173: ok 116 # molecular weight
173: ok 117 # molecular exact mass
173: ok 118 # molecular hydrogen-added formula
173: ok 119 # molecule + hydrogens weight
173: ok 120 # molecular exact mass after hydrogen addition
173: ok 121 # molecular formula
173: ok 122 # molecular weight
173: ok 123 # molecular exact mass
173: ok 124 # molecular hydrogen-added formula
173: ok 125 # molecule + hydrogens weight
173: ok 126 # molecular exact mass after hydrogen addition
173: ok 127 # molecular formula
173: ok 128 # molecular weight
173: ok 129 # molecular exact mass
173: ok 130 # molecular hydrogen-added formula
173: ok 131 # molecule + hydrogens weight
173: ok 132 # molecular exact mass after hydrogen addition
173: ok 133 # molecular formula
173: ok 134 # molecular weight
173: ok 135 # molecular exact mass
173: ok 136 # molecular hydrogen-added formula
173: ok 137 # molecule + hydrogens weight
173: ok 138 # molecular exact mass after hydrogen addition
173: ok 139 # molecular formula
173: ok 140 # molecular weight
173: ok 141 # molecular exact mass
173: ok 142 # molecular hydrogen-added formula
173: ok 143 # molecule + hydrogens weight
173: ok 144 # molecular exact mass after hydrogen addition
173: ok 145 # molecular formula
173: ok 146 # molecular weight
173: ok 147 # molecular exact mass
173: ok 148 # molecular hydrogen-added formula
173: ok 149 # molecule + hydrogens weight
173: ok 150 # molecular exact mass after hydrogen addition
173: ok 151 # molecular formula
173: ok 152 # molecular weight
173: ok 153 # molecular exact mass
173: ok 154 # molecular hydrogen-added formula
173: ok 155 # molecule + hydrogens weight
173: ok 156 # molecular exact mass after hydrogen addition
173: ok 157 # molecular formula
173: ok 158 # molecular weight
173: ok 159 # molecular exact mass
173: ok 160 # molecular hydrogen-added formula
173: ok 161 # molecule + hydrogens weight
173: ok 162 # molecular exact mass after hydrogen addition
173: ok 163 # molecular formula
173: ok 164 # molecular weight
173: ok 165 # molecular exact mass
173: ok 166 # molecular hydrogen-added formula
173: ok 167 # molecule + hydrogens weight
173: ok 168 # molecular exact mass after hydrogen addition
173: ok 169 # molecular formula
173: ok 170 # molecular weight
173: ok 171 # molecular exact mass
173: ok 172 # molecular hydrogen-added formula
173: ok 173 # molecule + hydrogens weight
173: ok 174 # molecular exact mass after hydrogen addition
173: ok 175 # molecular formula
173: ok 176 # molecular weight
173: ok 177 # molecular exact mass
173: ok 178 # molecular hydrogen-added formula
173: ok 179 # molecule + hydrogens weight
173: ok 180 # molecular exact mass after hydrogen addition
173: ok 181 # molecular formula
173: ok 182 # molecular weight
173: ok 183 # molecular exact mass
173: ok 184 # molecular hydrogen-added formula
173: ok 185 # molecule + hydrogens weight
173: ok 186 # molecular exact mass after hydrogen addition
173: ok 187 # molecular formula
173: ok 188 # molecular weight
173: ok 189 # molecular exact mass
173: ok 190 # molecular hydrogen-added formula
173: ok 191 # molecule + hydrogens weight
173: ok 192 # molecular exact mass after hydrogen addition
173: ok 193 # molecular formula
173: ok 194 # molecular weight
173: ok 195 # molecular exact mass
173: ok 196 # molecular hydrogen-added formula
173: ok 197 # molecule + hydrogens weight
173: ok 198 # molecular exact mass after hydrogen addition
173: ok 199 # molecular formula
173: ok 200 # molecular weight
173: ok 201 # molecular exact mass
173: ok 202 # molecular hydrogen-added formula
173: ok 203 # molecule + hydrogens weight
173: ok 204 # molecular exact mass after hydrogen addition
173: ok 205 # molecular formula
173: ok 206 # molecular weight
173: ok 207 # molecular exact mass
173: ok 208 # molecular hydrogen-added formula
173: ok 209 # molecule + hydrogens weight
173: ok 210 # molecular exact mass after hydrogen addition
173: ok 211 # molecular formula
173: ok 212 # molecular weight
173: ok 213 # molecular exact mass
173: ok 214 # molecular hydrogen-added formula
173: ok 215 # molecule + hydrogens weight
173: ok 216 # molecular exact mass after hydrogen addition
173: ok 217 # molecular formula
173: ok 218 # molecular weight
173: ok 219 # molecular exact mass
173: ok 220 # molecular hydrogen-added formula
173: ok 221 # molecule + hydrogens weight
173: ok 222 # molecular exact mass after hydrogen addition
173: ok 223 # molecular formula
173: ok 224 # molecular weight
173: ok 225 # molecular exact mass
173: ok 226 # molecular hydrogen-added formula
173: ok 227 # molecule + hydrogens weight
173: ok 228 # molecular exact mass after hydrogen addition
173: ok 229 # molecular formula
173: ok 230 # molecular weight
173: ok 231 # molecular exact mass
173: ok 232 # molecular hydrogen-added formula
173: ok 233 # molecule + hydrogens weight
173: ok 234 # molecular exact mass after hydrogen addition
173: ok 235 # molecular formula
173: ok 236 # molecular weight
173: ok 237 # molecular exact mass
173: ok 238 # molecular hydrogen-added formula
173: ok 239 # molecule + hydrogens weight
173: ok 240 # molecular exact mass after hydrogen addition
173: ok 241 # molecular formula
173: ok 242 # molecular weight
173: ok 243 # molecular exact mass
173: ok 244 # molecular hydrogen-added formula
173: ok 245 # molecule + hydrogens weight
173: ok 246 # molecular exact mass after hydrogen addition
173: ok 247 # molecular formula
173: ok 248 # molecular weight
173: ok 249 # molecular exact mass
173: ok 250 # molecular hydrogen-added formula
173: ok 251 # molecule + hydrogens weight
173: ok 252 # molecular exact mass after hydrogen addition
173: ok 253 # molecular formula
173: ok 254 # molecular weight
173: ok 255 # molecular exact mass
173: ok 256 # molecular hydrogen-added formula
173: ok 257 # molecule + hydrogens weight
173: ok 258 # molecular exact mass after hydrogen addition
173: ok 259 # molecular formula
173: ok 260 # molecular weight
173: ok 261 # molecular exact mass
173: ok 262 # molecular hydrogen-added formula
173: ok 263 # molecule + hydrogens weight
173: ok 264 # molecular exact mass after hydrogen addition
173: ok 265 # molecular formula
173: ok 266 # molecular weight
173: ok 267 # molecular exact mass
173: ok 268 # molecular hydrogen-added formula
173: ok 269 # molecule + hydrogens weight
173: ok 270 # molecular exact mass after hydrogen addition
173: ok 271 # molecular formula
173: ok 272 # molecular weight
173: ok 273 # molecular exact mass
173: ok 274 # molecular hydrogen-added formula
173: ok 275 # molecule + hydrogens weight
173: ok 276 # molecular exact mass after hydrogen addition
173: ok 277 # molecular formula
173: ok 278 # molecular weight
173: ok 279 # molecular exact mass
173: ok 280 # molecular hydrogen-added formula
173: ok 281 # molecule + hydrogens weight
173: ok 282 # molecular exact mass after hydrogen addition
173: ok 283 # molecular formula
173: ok 284 # molecular weight
173: ok 285 # molecular exact mass
173: ok 286 # molecular hydrogen-added formula
173: ok 287 # molecule + hydrogens weight
173: ok 288 # molecular exact mass after hydrogen addition
173: ok 289 # molecular formula
173: ok 290 # molecular weight
173: ok 291 # molecular exact mass
173: ok 292 # molecular hydrogen-added formula
173: ok 293 # molecule + hydrogens weight
173: ok 294 # molecular exact mass after hydrogen addition
173: ok 295 # molecular formula
173: ok 296 # molecular weight
173: ok 297 # molecular exact mass
173: ok 298 # molecular hydrogen-added formula
173: ok 299 # molecule + hydrogens weight
173: ok 300 # molecular exact mass after hydrogen addition
173: ok 301 # molecular formula
173: ok 302 # molecular weight
173: ok 303 # molecular exact mass
173: ok 304 # molecular hydrogen-added formula
173: ok 305 # molecule + hydrogens weight
173: ok 306 # molecular exact mass after hydrogen addition
173: ok 307 # molecular formula
173: ok 308 # molecular weight
173: ok 309 # molecular exact mass
173: ok 310 # molecular hydrogen-added formula
173: ok 311 # molecule + hydrogens weight
173: ok 312 # molecular exact mass after hydrogen addition
173: ok 313 # molecular formula
173: ok 314 # molecular weight
173: ok 315 # molecular exact mass
173: ok 316 # molecular hydrogen-added formula
173: ok 317 # molecule + hydrogens weight
173: ok 318 # molecular exact mass after hydrogen addition
173: ok 319 # molecular formula
173: ok 320 # molecular weight
173: ok 321 # molecular exact mass
173: ok 322 # molecular hydrogen-added formula
173: ok 323 # molecule + hydrogens weight
173: ok 324 # molecular exact mass after hydrogen addition
173: ok 325 # molecular formula
173: ok 326 # molecular weight
173: ok 327 # molecular exact mass
173: ok 328 # molecular hydrogen-added formula
173: ok 329 # molecule + hydrogens weight
173: ok 330 # molecular exact mass after hydrogen addition
173: ok 331 # molecular formula
173: ok 332 # molecular weight
173: ok 333 # molecular exact mass
173: ok 334 # molecular hydrogen-added formula
173: ok 335 # molecule + hydrogens weight
173: ok 336 # molecular exact mass after hydrogen addition
173: ok 337 # molecular formula
173: ok 338 # molecular weight
173: ok 339 # molecular exact mass
173: ok 340 # molecular hydrogen-added formula
173: ok 341 # molecule + hydrogens weight
173: ok 342 # molecular exact mass after hydrogen addition
173: ok 343 # molecular formula
173: ok 344 # molecular weight
173: ok 345 # molecular exact mass
173: ok 346 # molecular hydrogen-added formula
173: ok 347 # molecule + hydrogens weight
173: ok 348 # molecular exact mass after hydrogen addition
173: ok 349 # molecular formula
173: ok 350 # molecular weight
173: ok 351 # molecular exact mass
173: ok 352 # molecular hydrogen-added formula
173: ok 353 # molecule + hydrogens weight
173: ok 354 # molecular exact mass after hydrogen addition
173: ok 355 # molecular formula
173: ok 356 # molecular weight
173: ok 357 # molecular exact mass
173: ok 358 # molecular hydrogen-added formula
173: ok 359 # molecule + hydrogens weight
173: ok 360 # molecular exact mass after hydrogen addition
173: ok 361 # molecular formula
173: ok 362 # molecular weight
173: ok 363 # molecular exact mass
173: ok 364 # molecular hydrogen-added formula
173: ok 365 # molecule + hydrogens weight
173: ok 366 # molecular exact mass after hydrogen addition
173: ok 367 # molecular formula
173: ok 368 # molecular weight
173: ok 369 # molecular exact mass
173: ok 370 # molecular hydrogen-added formula
173: ok 371 # molecule + hydrogens weight
173: ok 372 # molecular exact mass after hydrogen addition
173: ok 373 # molecular formula
173: ok 374 # molecular weight
173: ok 375 # molecular exact mass
173: ok 376 # molecular hydrogen-added formula
173: ok 377 # molecule + hydrogens weight
173: ok 378 # molecular exact mass after hydrogen addition
173: ok 379 # molecular formula
173: ok 380 # molecular weight
173: ok 381 # molecular exact mass
173: ok 382 # molecular hydrogen-added formula
173: ok 383 # molecule + hydrogens weight
173: ok 384 # molecular exact mass after hydrogen addition
173: ok 385 # molecular formula
173: ok 386 # molecular weight
173: ok 387 # molecular exact mass
173: ok 388 # molecular hydrogen-added formula
173: ok 389 # molecule + hydrogens weight
173: ok 390 # molecular exact mass after hydrogen addition
173: ok 391 # molecular formula
173: ok 392 # molecular weight
173: ok 393 # molecular exact mass
173: ok 394 # molecular hydrogen-added formula
173: ok 395 # molecule + hydrogens weight
173: ok 396 # molecular exact mass after hydrogen addition
173: ok 397 # molecular formula
173: ok 398 # molecular weight
173: ok 399 # molecular exact mass
173: ok 400 # molecular hydrogen-added formula
173: ok 401 # molecule + hydrogens weight
173: ok 402 # molecular exact mass after hydrogen addition
173: ok 403 # molecular formula
173: ok 404 # molecular weight
173: ok 405 # molecular exact mass
173: ok 406 # molecular hydrogen-added formula
173: ok 407 # molecule + hydrogens weight
173: ok 408 # molecular exact mass after hydrogen addition
173: ok 409 # molecular formula
173: ok 410 # molecular weight
173: ok 411 # molecular exact mass
173: ok 412 # molecular hydrogen-added formula
173: ok 413 # molecule + hydrogens weight
173: ok 414 # molecular exact mass after hydrogen addition
173: ok 415 # molecular formula
173: ok 416 # molecular weight
173: ok 417 # molecular exact mass
173: ok 418 # molecular hydrogen-added formula
173: ok 419 # molecule + hydrogens weight
173: ok 420 # molecular exact mass after hydrogen addition
173: ok 421 # molecular formula
173: ok 422 # molecular weight
173: ok 423 # molecular exact mass
173: ok 424 # molecular hydrogen-added formula
173: ok 425 # molecule + hydrogens weight
173: ok 426 # molecular exact mass after hydrogen addition
173: ok 427 # molecular formula
173: ok 428 # molecular weight
173: ok 429 # molecular exact mass
173: ok 430 # molecular hydrogen-added formula
173: ok 431 # molecule + hydrogens weight
173: ok 432 # molecular exact mass after hydrogen addition
173: ok 433 # molecular formula
173: ok 434 # molecular weight
173: ok 435 # molecular exact mass
173: ok 436 # molecular hydrogen-added formula
173: ok 437 # molecule + hydrogens weight
173: ok 438 # molecular exact mass after hydrogen addition
173: ok 439 # molecular formula
173: ok 440 # molecular weight
173: ok 441 # molecular exact mass
173: ok 442 # molecular hydrogen-added formula
173: ok 443 # molecule + hydrogens weight
173: ok 444 # molecular exact mass after hydrogen addition
173: ok 445 # molecular formula
173: ok 446 # molecular weight
173: ok 447 # molecular exact mass
173: ok 448 # molecular hydrogen-added formula
173: ok 449 # molecule + hydrogens weight
173: ok 450 # molecular exact mass after hydrogen addition
173: ok 451 # molecular formula
173: ok 452 # molecular weight
173: ok 453 # molecular exact mass
173: ok 454 # molecular hydrogen-added formula
173: ok 455 # molecule + hydrogens weight
173: ok 456 # molecular exact mass after hydrogen addition
173: ok 457 # molecular formula
173: ok 458 # molecular weight
173: ok 459 # molecular exact mass
173: ok 460 # molecular hydrogen-added formula
173: ok 461 # molecule + hydrogens weight
173: ok 462 # molecular exact mass after hydrogen addition
173: ok 463 # molecular formula
173: ok 464 # molecular weight
173: ok 465 # molecular exact mass
173: ok 466 # molecular hydrogen-added formula
173: ok 467 # molecule + hydrogens weight
173: ok 468 # molecular exact mass after hydrogen addition
173: ok 469 # molecular formula
173: ok 470 # molecular weight
173: ok 471 # molecular exact mass
173: ok 472 # molecular hydrogen-added formula
173: ok 473 # molecule + hydrogens weight
173: ok 474 # molecular exact mass after hydrogen addition
173: ok 475 # molecular formula
173: ok 476 # molecular weight
173: ok 477 # molecular exact mass
173: ok 478 # molecular hydrogen-added formula
173: ok 479 # molecule + hydrogens weight
173: ok 480 # molecular exact mass after hydrogen addition
173: ok 481 # molecular formula
173: ok 482 # molecular weight
173: ok 483 # molecular exact mass
173: ok 484 # molecular hydrogen-added formula
173: ok 485 # molecule + hydrogens weight
173: ok 486 # molecular exact mass after hydrogen addition
173: ok 487 # molecular formula
173: ok 488 # molecular weight
173: ok 489 # molecular exact mass
173: ok 490 # molecular hydrogen-added formula
173: ok 491 # molecule + hydrogens weight
173: ok 492 # molecular exact mass after hydrogen addition
173: ok 493 # molecular formula
173: ok 494 # molecular weight
173: ok 495 # molecular exact mass
173: ok 496 # molecular hydrogen-added formula
173: ok 497 # molecule + hydrogens weight
173: ok 498 # molecular exact mass after hydrogen addition
173: ok 499 # molecular formula
173: ok 500 # molecular weight
173: ok 501 # molecular exact mass
173: ok 502 # molecular hydrogen-added formula
173: ok 503 # molecule + hydrogens weight
173: ok 504 # molecular exact mass after hydrogen addition
173: ok 505 # molecular formula
173: ok 506 # molecular weight
173: ok 507 # molecular exact mass
173: ok 508 # molecular hydrogen-added formula
173: ok 509 # molecule + hydrogens weight
173: ok 510 # molecular exact mass after hydrogen addition
173: ok 511 # molecular formula
173: ok 512 # molecular weight
173: ok 513 # molecular exact mass
173: ok 514 # molecular hydrogen-added formula
173: ok 515 # molecule + hydrogens weight
173: ok 516 # molecular exact mass after hydrogen addition
173: ok 517 # molecular formula
173: ok 518 # molecular weight
173: ok 519 # molecular exact mass
173: ok 520 # molecular hydrogen-added formula
173: ok 521 # molecule + hydrogens weight
173: ok 522 # molecular exact mass after hydrogen addition
173: ok 523 # molecular formula
173: ok 524 # molecular weight
173: ok 525 # molecular exact mass
173: ok 526 # molecular hydrogen-added formula
173: ok 527 # molecule + hydrogens weight
173: ok 528 # molecular exact mass after hydrogen addition
173: ok 529 # molecular formula
173: ok 530 # molecular weight
173: ok 531 # molecular exact mass
173: ok 532 # molecular hydrogen-added formula
173: ok 533 # molecule + hydrogens weight
173: ok 534 # molecular exact mass after hydrogen addition
173: ok 535 # molecular formula
173: ok 536 # molecular weight
173: ok 537 # molecular exact mass
173: ok 538 # molecular hydrogen-added formula
173: ok 539 # molecule + hydrogens weight
173: ok 540 # molecular exact mass after hydrogen addition
173: ok 541 # molecular formula
173: ok 542 # molecular weight
173: ok 543 # molecular exact mass
173: ok 544 # molecular hydrogen-added formula
173: ok 545 # molecule + hydrogens weight
173: ok 546 # molecular exact mass after hydrogen addition
173: ok 547 # molecular formula
173: ok 548 # molecular weight
173: ok 549 # molecular exact mass
173: ok 550 # molecular hydrogen-added formula
173: ok 551 # molecule + hydrogens weight
173: ok 552 # molecular exact mass after hydrogen addition
173: ok 553 # molecular formula
173: ok 554 # molecular weight
173: ok 555 # molecular exact mass
173: ok 556 # molecular hydrogen-added formula
173: ok 557 # molecule + hydrogens weight
173: ok 558 # molecular exact mass after hydrogen addition
173: ok 559 # molecular formula
173: ok 560 # molecular weight
173: ok 561 # molecular exact mass
173: ok 562 # molecular hydrogen-added formula
173: ok 563 # molecule + hydrogens weight
173: ok 564 # molecular exact mass after hydrogen addition
173: ok 565 # molecular formula
173: ok 566 # molecular weight
173: ok 567 # molecular exact mass
173: ok 568 # molecular hydrogen-added formula
173: ok 569 # molecule + hydrogens weight
173: ok 570 # molecular exact mass after hydrogen addition
173: ok 571 # molecular formula
173: ok 572 # molecular weight
173: ok 573 # molecular exact mass
173: ok 574 # molecular hydrogen-added formula
173: ok 575 # molecule + hydrogens weight
173: ok 576 # molecular exact mass after hydrogen addition
173: ok 577 # molecular formula
173: ok 578 # molecular weight
173: ok 579 # molecular exact mass
173: ok 580 # molecular hydrogen-added formula
173: ok 581 # molecule + hydrogens weight
173: ok 582 # molecular exact mass after hydrogen addition
173: ok 583 # molecular formula
173: ok 584 # molecular weight
173: ok 585 # molecular exact mass
173: ok 586 # molecular hydrogen-added formula
173: ok 587 # molecule + hydrogens weight
173: ok 588 # molecular exact mass after hydrogen addition
173: ok 589 # molecular formula
173: ok 590 # molecular weight
173: ok 591 # molecular exact mass
173: ok 592 # molecular hydrogen-added formula
173: ok 593 # molecule + hydrogens weight
173: ok 594 # molecular exact mass after hydrogen addition
173: ok 595 # molecular formula
173: ok 596 # molecular weight
173: ok 597 # molecular exact mass
173: ok 598 # molecular hydrogen-added formula
173: ok 599 # molecule + hydrogens weight
173: ok 600 # molecular exact mass after hydrogen addition
173: ok 601 # molecular formula
173: ok 602 # molecular weight
173: ok 603 # molecular exact mass
173: ok 604 # molecular hydrogen-added formula
173: ok 605 # molecule + hydrogens weight
173: ok 606 # molecular exact mass after hydrogen addition
173: ok 607 # molecular formula
173: ok 608 # molecular weight
173: ok 609 # molecular exact mass
173: ok 610 # molecular hydrogen-added formula
173: ok 611 # molecule + hydrogens weight
173: ok 612 # molecular exact mass after hydrogen addition
173: ok 613 # molecular formula
173: ok 614 # molecular weight
173: ok 615 # molecular exact mass
173: ok 616 # molecular hydrogen-added formula
173: ok 617 # molecule + hydrogens weight
173: ok 618 # molecular exact mass after hydrogen addition
173: ok 619 # molecular formula
173: ok 620 # molecular weight
173: ok 621 # molecular exact mass
173: ok 622 # molecular hydrogen-added formula
173: ok 623 # molecule + hydrogens weight
173: ok 624 # molecular exact mass after hydrogen addition
173: ok 625 # molecular formula
173: ok 626 # molecular weight
173: ok 627 # molecular exact mass
173: ok 628 # molecular hydrogen-added formula
173: ok 629 # molecule + hydrogens weight
173: ok 630 # molecular exact mass after hydrogen addition
173: ok 631 # molecular formula
173: ok 632 # molecular weight
173: ok 633 # molecular exact mass
173: ok 634 # molecular hydrogen-added formula
173: ok 635 # molecule + hydrogens weight
173: ok 636 # molecular exact mass after hydrogen addition
173: ok 637 # molecular formula
173: ok 638 # molecular weight
173: ok 639 # molecular exact mass
173: ok 640 # molecular hydrogen-added formula
173: ok 641 # molecule + hydrogens weight
173: ok 642 # molecular exact mass after hydrogen addition
173: ok 643 # molecular formula
173: ok 644 # molecular weight
173: ok 645 # molecular exact mass
173: ok 646 # molecular hydrogen-added formula
173: ok 647 # molecule + hydrogens weight
173: ok 648 # molecular exact mass after hydrogen addition
173: ok 649 # molecular formula
173: ok 650 # molecular weight
173: ok 651 # molecular exact mass
173: ok 652 # molecular hydrogen-added formula
173: ok 653 # molecule + hydrogens weight
173: ok 654 # molecular exact mass after hydrogen addition
173: ok 655 # molecular formula
173: ok 656 # molecular weight
173: ok 657 # molecular exact mass
173: ok 658 # molecular hydrogen-added formula
173: ok 659 # molecule + hydrogens weight
173: ok 660 # molecular exact mass after hydrogen addition
173: ok 661 # molecular formula
173: ok 662 # molecular weight
173: ok 663 # molecular exact mass
173: ok 664 # molecular hydrogen-added formula
173: ok 665 # molecule + hydrogens weight
173: ok 666 # molecular exact mass after hydrogen addition
173: ok 667 # molecular formula
173: ok 668 # molecular weight
173: ok 669 # molecular exact mass
173: ok 670 # molecular hydrogen-added formula
173: ok 671 # molecule + hydrogens weight
173: ok 672 # molecular exact mass after hydrogen addition
173: ok 673 # molecular formula
173: ok 674 # molecular weight
173: ok 675 # molecular exact mass
173: ok 676 # molecular hydrogen-added formula
173: ok 677 # molecule + hydrogens weight
173: ok 678 # molecular exact mass after hydrogen addition
173: ok 679 # molecular formula
173: ok 680 # molecular weight
173: ok 681 # molecular exact mass
173: ok 682 # molecular hydrogen-added formula
173: ok 683 # molecule + hydrogens weight
173: ok 684 # molecular exact mass after hydrogen addition
173: ok 685 # molecular formula
173: ok 686 # molecular weight
173: ok 687 # molecular exact mass
173: ok 688 # molecular hydrogen-added formula
173: ok 689 # molecule + hydrogens weight
173: ok 690 # molecular exact mass after hydrogen addition
173: ok 691 # molecular formula
173: ok 692 # molecular weight
173: ok 693 # molecular exact mass
173: ok 694 # molecular hydrogen-added formula
173: ok 695 # molecule + hydrogens weight
173: ok 696 # molecular exact mass after hydrogen addition
173: ok 697 # molecular formula
173: ok 698 # molecular weight
173: ok 699 # molecular exact mass
173: ok 700 # molecular hydrogen-added formula
173: ok 701 # molecule + hydrogens weight
173: ok 702 # molecular exact mass after hydrogen addition
173: ok 703 # molecular formula
173: ok 704 # molecular weight
173: ok 705 # molecular exact mass
173: ok 706 # molecular hydrogen-added formula
173: ok 707 # molecule + hydrogens weight
173: ok 708 # molecular exact mass after hydrogen addition
173: ok 709 # molecular formula
173: ok 710 # molecular weight
173: ok 711 # molecular exact mass
173: ok 712 # molecular hydrogen-added formula
173: ok 713 # molecule + hydrogens weight
173: ok 714 # molecular exact mass after hydrogen addition
173: ok 715 # molecular formula
173: ok 716 # molecular weight
173: ok 717 # molecular exact mass
173: ok 718 # molecular hydrogen-added formula
173: ok 719 # molecule + hydrogens weight
173: ok 720 # molecular exact mass after hydrogen addition
173: ok 721 # molecular formula
173: ok 722 # molecular weight
173: ok 723 # molecular exact mass
173: ok 724 # molecular hydrogen-added formula
173: ok 725 # molecule + hydrogens weight
173: ok 726 # molecular exact mass after hydrogen addition
173: ok 727 # molecular formula
173: ok 728 # molecular weight
173: ok 729 # molecular exact mass
173: ok 730 # molecular hydrogen-added formula
173: ok 731 # molecule + hydrogens weight
173: ok 732 # molecular exact mass after hydrogen addition
173: ok 733 # molecular formula
173: ok 734 # molecular weight
173: ok 735 # molecular exact mass
173: ok 736 # molecular hydrogen-added formula
173: ok 737 # molecule + hydrogens weight
173: ok 738 # molecular exact mass after hydrogen addition
173: ok 739 # molecular formula
173: ok 740 # molecular weight
173: ok 741 # molecular exact mass
173: ok 742 # molecular hydrogen-added formula
173: ok 743 # molecule + hydrogens weight
173: ok 744 # molecular exact mass after hydrogen addition
173: ok 745 # molecular formula
173: ok 746 # molecular weight
173: ok 747 # molecular exact mass
173: ok 748 # molecular hydrogen-added formula
173: ok 749 # molecule + hydrogens weight
173: ok 750 # molecular exact mass after hydrogen addition
173: ok 751 # molecular formula
173: ok 752 # molecular weight
173: ok 753 # molecular exact mass
173: ok 754 # molecular hydrogen-added formula
173: ok 755 # molecule + hydrogens weight
173: ok 756 # molecular exact mass after hydrogen addition
173: ok 757 # molecular formula
173: ok 758 # molecular weight
173: ok 759 # molecular exact mass
173: ok 760 # molecular hydrogen-added formula
173: ok 761 # molecule + hydrogens weight
173: ok 762 # molecular exact mass after hydrogen addition
173: ok 763 # molecular formula
173: ok 764 # molecular weight
173: ok 765 # molecular exact mass
173: ok 766 # molecular hydrogen-added formula
173: ok 767 # molecule + hydrogens weight
173: ok 768 # molecular exact mass after hydrogen addition
173: ok 769 # molecular formula
173: ok 770 # molecular weight
173: ok 771 # molecular exact mass
173: ok 772 # molecular hydrogen-added formula
173: ok 773 # molecule + hydrogens weight
173: ok 774 # molecular exact mass after hydrogen addition
173: ok 775 # molecular formula
173: ok 776 # molecular weight
173: ok 777 # molecular exact mass
173: ok 778 # molecular hydrogen-added formula
173: ok 779 # molecule + hydrogens weight
173: ok 780 # molecular exact mass after hydrogen addition
173: ok 781 # molecular formula
173: ok 782 # molecular weight
173: ok 783 # molecular exact mass
173: ok 784 # molecular hydrogen-added formula
173: ok 785 # molecule + hydrogens weight
173: ok 786 # molecular exact mass after hydrogen addition
173: ok 787 # molecular formula
173: ok 788 # molecular weight
173: ok 789 # molecular exact mass
173: ok 790 # molecular hydrogen-added formula
173: ok 791 # molecule + hydrogens weight
173: ok 792 # molecular exact mass after hydrogen addition
173: ok 793 # molecular formula
173: ok 794 # molecular weight
173: ok 795 # molecular exact mass
173: ok 796 # molecular hydrogen-added formula
173: ok 797 # molecule + hydrogens weight
173: ok 798 # molecular exact mass after hydrogen addition
173: ok 799 # molecular formula
173: ok 800 # molecular weight
173: ok 801 # molecular exact mass
173: ok 802 # molecular hydrogen-added formula
173: ok 803 # molecule + hydrogens weight
173: ok 804 # molecular exact mass after hydrogen addition
173: ok 805 # molecular formula
173: ok 806 # molecular weight
173: ok 807 # molecular exact mass
173: ok 808 # molecular hydrogen-added formula
173: ok 809 # molecule + hydrogens weight
173: ok 810 # molecular exact mass after hydrogen addition
173: ok 811 # molecular formula
173: ok 812 # molecular weight
173: ok 813 # molecular exact mass
173: ok 814 # molecular hydrogen-added formula
173: ok 815 # molecule + hydrogens weight
173: ok 816 # molecular exact mass after hydrogen addition
173: ok 817 # molecular formula
173: ok 818 # molecular weight
173: ok 819 # molecular exact mass
173: ok 820 # molecular hydrogen-added formula
173: ok 821 # molecule + hydrogens weight
173: ok 822 # molecular exact mass after hydrogen addition
173: ok 823 # molecular formula
173: ok 824 # molecular weight
173: ok 825 # molecular exact mass
173: ok 826 # molecular hydrogen-added formula
173: ok 827 # molecule + hydrogens weight
173: ok 828 # molecular exact mass after hydrogen addition
173: ok 829 # molecular formula
173: ok 830 # molecular weight
173: ok 831 # molecular exact mass
173: ok 832 # molecular hydrogen-added formula
173: ok 833 # molecule + hydrogens weight
173: ok 834 # molecular exact mass after hydrogen addition
173: ok 835 # molecular formula
173: ok 836 # molecular weight
173: ok 837 # molecular exact mass
173: ok 838 # molecular hydrogen-added formula
173: ok 839 # molecule + hydrogens weight
173: ok 840 # molecular exact mass after hydrogen addition
173: ok 841 # molecular formula
173: ok 842 # molecular weight
173: ok 843 # molecular exact mass
173: ok 844 # molecular hydrogen-added formula
173: ok 845 # molecule + hydrogens weight
173: ok 846 # molecular exact mass after hydrogen addition
173: ok 847 # molecular formula
173: ok 848 # molecular weight
173: ok 849 # molecular exact mass
173: ok 850 # molecular hydrogen-added formula
173: ok 851 # molecule + hydrogens weight
173: ok 852 # molecular exact mass after hydrogen addition
173: ok 853 # molecular formula
173: ok 854 # molecular weight
173: ok 855 # molecular exact mass
173: ok 856 # molecular hydrogen-added formula
173: ok 857 # molecule + hydrogens weight
173: ok 858 # molecular exact mass after hydrogen addition
173: ok 859 # molecular formula
173: ok 860 # molecular weight
173: ok 861 # molecular exact mass
173: ok 862 # molecular hydrogen-added formula
173: ok 863 # molecule + hydrogens weight
173: ok 864 # molecular exact mass after hydrogen addition
173: ok 865 # molecular formula
173: ok 866 # molecular weight
173: ok 867 # molecular exact mass
173: ok 868 # molecular hydrogen-added formula
173: ok 869 # molecule + hydrogens weight
173: ok 870 # molecular exact mass after hydrogen addition
173: ok 871 # molecular formula
173: ok 872 # molecular weight
173: ok 873 # molecular exact mass
173: ok 874 # molecular hydrogen-added formula
173: ok 875 # molecule + hydrogens weight
173: ok 876 # molecular exact mass after hydrogen addition
173: ok 877 # molecular formula
173: ok 878 # molecular weight
173: ok 879 # molecular exact mass
173: ok 880 # molecular hydrogen-added formula
173: ok 881 # molecule + hydrogens weight
173: ok 882 # molecular exact mass after hydrogen addition
173: ok 883 # molecular formula
173: ok 884 # molecular weight
173: ok 885 # molecular exact mass
173: ok 886 # molecular hydrogen-added formula
173: ok 887 # molecule + hydrogens weight
173: ok 888 # molecular exact mass after hydrogen addition
173: ok 889 # molecular formula
173: ok 890 # molecular weight
173: ok 891 # molecular exact mass
173: ok 892 # molecular hydrogen-added formula
173: ok 893 # molecule + hydrogens weight
173: ok 894 # molecular exact mass after hydrogen addition
173: ok 895 # molecular formula
173: ok 896 # molecular weight
173: ok 897 # molecular exact mass
173: ok 898 # molecular hydrogen-added formula
173: ok 899 # molecule + hydrogens weight
173: ok 900 # molecular exact mass after hydrogen addition
173: ok 901 # molecular formula
173: ok 902 # molecular weight
173: ok 903 # molecular exact mass
173: ok 904 # molecular hydrogen-added formula
173: ok 905 # molecule + hydrogens weight
173: ok 906 # molecular exact mass after hydrogen addition
173: ok 907 # molecular formula
173: ok 908 # molecular weight
173: ok 909 # molecular exact mass
173: ok 910 # molecular hydrogen-added formula
173: ok 911 # molecule + hydrogens weight
173: ok 912 # molecular exact mass after hydrogen addition
173: ok 913 # molecular formula
173: ok 914 # molecular weight
173: ok 915 # molecular exact mass
173: ok 916 # molecular hydrogen-added formula
173: ok 917 # molecule + hydrogens weight
173: ok 918 # molecular exact mass after hydrogen addition
173: ok 919 # molecular formula
173: ok 920 # molecular weight
173: ok 921 # molecular exact mass
173: ok 922 # molecular hydrogen-added formula
173: ok 923 # molecule + hydrogens weight
173: ok 924 # molecular exact mass after hydrogen addition
173: ok 925 # molecular formula
173: ok 926 # molecular weight
173: ok 927 # molecular exact mass
173: ok 928 # molecular hydrogen-added formula
173: ok 929 # molecule + hydrogens weight
173: ok 930 # molecular exact mass after hydrogen addition
173: ok 931 # molecular formula
173: ok 932 # molecular weight
173: ok 933 # molecular exact mass
173: ok 934 # molecular hydrogen-added formula
173: ok 935 # molecule + hydrogens weight
173: ok 936 # molecular exact mass after hydrogen addition
173: ok 937 # molecular formula
173: ok 938 # molecular weight
173: ok 939 # molecular exact mass
173: ok 940 # molecular hydrogen-added formula
173: ok 941 # molecule + hydrogens weight
173: ok 942 # molecular exact mass after hydrogen addition
173: ok 943 # molecular formula
173: ok 944 # molecular weight
173: ok 945 # molecular exact mass
173: ok 946 # molecular hydrogen-added formula
173: ok 947 # molecule + hydrogens weight
173: ok 948 # molecular exact mass after hydrogen addition
173: ok 949 # molecular formula
173: ok 950 # molecular weight
173: ok 951 # molecular exact mass
173: ok 952 # molecular hydrogen-added formula
173: ok 953 # molecule + hydrogens weight
173: ok 954 # molecular exact mass after hydrogen addition
173: ok 955 # molecular formula
173: ok 956 # molecular weight
173: ok 957 # molecular exact mass
173: ok 958 # molecular hydrogen-added formula
173: ok 959 # molecule + hydrogens weight
173: ok 960 # molecular exact mass after hydrogen addition
173: ok 961 # molecular formula
173: ok 962 # molecular weight
173: ok 963 # molecular exact mass
173: ok 964 # molecular hydrogen-added formula
173: ok 965 # molecule + hydrogens weight
173: ok 966 # molecular exact mass after hydrogen addition
173: ok 967 # molecular formula
173: ok 968 # molecular weight
173: ok 969 # molecular exact mass
173: ok 970 # molecular hydrogen-added formula
173: ok 971 # molecule + hydrogens weight
173: ok 972 # molecular exact mass after hydrogen addition
173: ok 973 # molecular formula
173: ok 974 # molecular weight
173: ok 975 # molecular exact mass
173: ok 976 # molecular hydrogen-added formula
173: ok 977 # molecule + hydrogens weight
173: ok 978 # molecular exact mass after hydrogen addition
173: ok 979 # molecular formula
173: ok 980 # molecular weight
173: ok 981 # molecular exact mass
173: ok 982 # molecular hydrogen-added formula
173: ok 983 # molecule + hydrogens weight
173: ok 984 # molecular exact mass after hydrogen addition
173: ok 985 # molecular formula
173: ok 986 # molecular weight
173: ok 987 # molecular exact mass
173: ok 988 # molecular hydrogen-added formula
173: ok 989 # molecule + hydrogens weight
173: ok 990 # molecular exact mass after hydrogen addition
173: ok 991 # molecular formula
173: ok 992 # molecular weight
173: ok 993 # molecular exact mass
173: ok 994 # molecular hydrogen-added formula
173: ok 995 # molecule + hydrogens weight
173: ok 996 # molecular exact mass after hydrogen addition
173: ok 997 # molecular formula
173: ok 998 # molecular weight
173: ok 999 # molecular exact mass
173: ok 1000 # molecular hydrogen-added formula
173: ok 1001 # molecule + hydrogens weight
173: ok 1002 # molecular exact mass after hydrogen addition
173: ok 1003 # molecular formula
173: ok 1004 # molecular weight
173: ok 1005 # molecular exact mass
173: ok 1006 # molecular hydrogen-added formula
173: ok 1007 # molecule + hydrogens weight
173: ok 1008 # molecular exact mass after hydrogen addition
173: ok 1009 # molecular formula
173: ok 1010 # molecular weight
173: ok 1011 # molecular exact mass
173: ok 1012 # molecular hydrogen-added formula
173: ok 1013 # molecule + hydrogens weight
173: ok 1014 # molecular exact mass after hydrogen addition
173: ok 1015 # molecular formula
173: ok 1016 # molecular weight
173: ok 1017 # molecular exact mass
173: ok 1018 # molecular hydrogen-added formula
173: ok 1019 # molecule + hydrogens weight
173: ok 1020 # molecular exact mass after hydrogen addition
173: ok 1021 # molecular formula
173: ok 1022 # molecular weight
173: ok 1023 # molecular exact mass
173: ok 1024 # molecular hydrogen-added formula
173: ok 1025 # molecule + hydrogens weight
173: ok 1026 # molecular exact mass after hydrogen addition
173: ok 1027 # molecular formula
173: ok 1028 # molecular weight
173: ok 1029 # molecular exact mass
173: ok 1030 # molecular hydrogen-added formula
173: ok 1031 # molecule + hydrogens weight
173: ok 1032 # molecular exact mass after hydrogen addition
173: ok 1033 # molecular formula
173: ok 1034 # molecular weight
173: ok 1035 # molecular exact mass
173: ok 1036 # molecular hydrogen-added formula
173: ok 1037 # molecule + hydrogens weight
173: ok 1038 # molecular exact mass after hydrogen addition
173: ok 1039 # molecular formula
173: ok 1040 # molecular weight
173: ok 1041 # molecular exact mass
173: ok 1042 # molecular hydrogen-added formula
173: ok 1043 # molecule + hydrogens weight
173: ok 1044 # molecular exact mass after hydrogen addition
173: ok 1045 # molecular formula
173: ok 1046 # molecular weight
173: ok 1047 # molecular exact mass
173: ok 1048 # molecular hydrogen-added formula
173: ok 1049 # molecule + hydrogens weight
173: ok 1050 # molecular exact mass after hydrogen addition
173: ok 1051 # molecular formula
173: ok 1052 # molecular weight
173: ok 1053 # molecular exact mass
173: ok 1054 # molecular hydrogen-added formula
173: ok 1055 # molecule + hydrogens weight
173: ok 1056 # molecular exact mass after hydrogen addition
173: ok 1057 # molecular formula
173: ok 1058 # molecular weight
173: ok 1059 # molecular exact mass
173: ok 1060 # molecular hydrogen-added formula
173: ok 1061 # molecule + hydrogens weight
173: ok 1062 # molecular exact mass after hydrogen addition
173: ok 1063 # molecular formula
173: ok 1064 # molecular weight
173: ok 1065 # molecular exact mass
173: ok 1066 # molecular hydrogen-added formula
173: ok 1067 # molecule + hydrogens weight
173: ok 1068 # molecular exact mass after hydrogen addition
173: ok 1069 # molecular formula
173: ok 1070 # molecular weight
173: ok 1071 # molecular exact mass
173: ok 1072 # molecular hydrogen-added formula
173: ok 1073 # molecule + hydrogens weight
173: ok 1074 # molecular exact mass after hydrogen addition
173: ok 1075 # molecular formula
173: ok 1076 # molecular weight
173: ok 1077 # molecular exact mass
173: ok 1078 # molecular hydrogen-added formula
173: ok 1079 # molecule + hydrogens weight
173: ok 1080 # molecular exact mass after hydrogen addition
173: ok 1081 # molecular formula
173: ok 1082 # molecular weight
173: ok 1083 # molecular exact mass
173: ok 1084 # molecular hydrogen-added formula
173: ok 1085 # molecule + hydrogens weight
173: ok 1086 # molecular exact mass after hydrogen addition
173: ok 1087 # molecular formula
173: ok 1088 # molecular weight
173: ok 1089 # molecular exact mass
173: ok 1090 # molecular hydrogen-added formula
173: ok 1091 # molecule + hydrogens weight
173: ok 1092 # molecular exact mass after hydrogen addition
173: ok 1093 # molecular formula
173: ok 1094 # molecular weight
173: ok 1095 # molecular exact mass
173: ok 1096 # molecular hydrogen-added formula
173: ok 1097 # molecule + hydrogens weight
173: ok 1098 # molecular exact mass after hydrogen addition
173: ok 1099 # molecular formula
173: ok 1100 # molecular weight
173: ok 1101 # molecular exact mass
173: ok 1102 # molecular hydrogen-added formula
173: ok 1103 # molecule + hydrogens weight
173: ok 1104 # molecular exact mass after hydrogen addition
173: ok 1105 # molecular formula
173: ok 1106 # molecular weight
173: ok 1107 # molecular exact mass
173: ok 1108 # molecular hydrogen-added formula
173: ok 1109 # molecule + hydrogens weight
173: ok 1110 # molecular exact mass after hydrogen addition
173: ok 1111 # molecular formula
173: ok 1112 # molecular weight
173: ok 1113 # molecular exact mass
173: ok 1114 # molecular hydrogen-added formula
173: ok 1115 # molecule + hydrogens weight
173: ok 1116 # molecular exact mass after hydrogen addition
173: ok 1117 # molecular formula
173: ok 1118 # molecular weight
173: ok 1119 # molecular exact mass
173: ok 1120 # molecular hydrogen-added formula
173: ok 1121 # molecule + hydrogens weight
173: ok 1122 # molecular exact mass after hydrogen addition
173: ok 1123 # molecular formula
173: ok 1124 # molecular weight
173: ok 1125 # molecular exact mass
173: ok 1126 # molecular hydrogen-added formula
173: ok 1127 # molecule + hydrogens weight
173: ok 1128 # molecular exact mass after hydrogen addition
173: ok 1129 # molecular formula
173: ok 1130 # molecular weight
173: ok 1131 # molecular exact mass
173: ok 1132 # molecular hydrogen-added formula
173: ok 1133 # molecule + hydrogens weight
173: ok 1134 # molecular exact mass after hydrogen addition
173: ok 1135 # molecular formula
173: ok 1136 # molecular weight
173: ok 1137 # molecular exact mass
173: ok 1138 # molecular hydrogen-added formula
173: ok 1139 # molecule + hydrogens weight
173: ok 1140 # molecular exact mass after hydrogen addition
173: ok 1141 # molecular formula
173: ok 1142 # molecular weight
173: ok 1143 # molecular exact mass
173: ok 1144 # molecular hydrogen-added formula
173: ok 1145 # molecule + hydrogens weight
173: ok 1146 # molecular exact mass after hydrogen addition
173: ok 1147 # molecular formula
173: ok 1148 # molecular weight
173: ok 1149 # molecular exact mass
173: ok 1150 # molecular hydrogen-added formula
173: ok 1151 # molecule + hydrogens weight
173: ok 1152 # molecular exact mass after hydrogen addition
173: ok 1153 # molecular formula
173: ok 1154 # molecular weight
173: ok 1155 # molecular exact mass
173: ok 1156 # molecular hydrogen-added formula
173: ok 1157 # molecule + hydrogens weight
173: ok 1158 # molecular exact mass after hydrogen addition
173: ok 1159 # molecular formula
173: ok 1160 # molecular weight
173: ok 1161 # molecular exact mass
173: ok 1162 # molecular hydrogen-added formula
173: ok 1163 # molecule + hydrogens weight
173: ok 1164 # molecular exact mass after hydrogen addition
173: ok 1165 # molecular formula
173: ok 1166 # molecular weight
173: ok 1167 # molecular exact mass
173: ok 1168 # molecular hydrogen-added formula
173: ok 1169 # molecule + hydrogens weight
173: ok 1170 # molecular exact mass after hydrogen addition
173: ok 1171 # molecular formula
173: ok 1172 # molecular weight
173: ok 1173 # molecular exact mass
173: ok 1174 # molecular hydrogen-added formula
173: ok 1175 # molecule + hydrogens weight
173: ok 1176 # molecular exact mass after hydrogen addition
173: ok 1177 # molecular formula
173: ok 1178 # molecular weight
173: ok 1179 # molecular exact mass
173: ok 1180 # molecular hydrogen-added formula
173: ok 1181 # molecule + hydrogens weight
173: ok 1182 # molecular exact mass after hydrogen addition
173: ok 1183 # molecular formula
173: ok 1184 # molecular weight
173: ok 1185 # molecular exact mass
173: ok 1186 # molecular hydrogen-added formula
173: ok 1187 # molecule + hydrogens weight
173: ok 1188 # molecular exact mass after hydrogen addition
173: ok 1189 # molecular formula
173: ok 1190 # molecular weight
173: ok 1191 # molecular exact mass
173: ok 1192 # molecular hydrogen-added formula
173: ok 1193 # molecule + hydrogens weight
173: ok 1194 # molecular exact mass after hydrogen addition
173: ok 1195 # molecular formula
173: ok 1196 # molecular weight
173: ok 1197 # molecular exact mass
173: ok 1198 # molecular hydrogen-added formula
173: ok 1199 # molecule + hydrogens weight
173: ok 1200 # molecular exact mass after hydrogen addition
173: ok 1201 # molecular formula
173: ok 1202 # molecular weight
173: ok 1203 # molecular exact mass
173: ok 1204 # molecular hydrogen-added formula
173: ok 1205 # molecule + hydrogens weight
173: ok 1206 # molecular exact mass after hydrogen addition
173: ok 1207 # molecular formula
173: ok 1208 # molecular weight
173: ok 1209 # molecular exact mass
173: ok 1210 # molecular hydrogen-added formula
173: ok 1211 # molecule + hydrogens weight
173: ok 1212 # molecular exact mass after hydrogen addition
173: ok 1213 # molecular formula
173: ok 1214 # molecular weight
173: ok 1215 # molecular exact mass
173: ok 1216 # molecular hydrogen-added formula
173: ok 1217 # molecule + hydrogens weight
173: ok 1218 # molecular exact mass after hydrogen addition
173: ok 1219 # molecular formula
173: ok 1220 # molecular weight
173: ok 1221 # molecular exact mass
173: ok 1222 # molecular hydrogen-added formula
173: ok 1223 # molecule + hydrogens weight
173: ok 1224 # molecular exact mass after hydrogen addition
173: ok 1225 # molecular formula
173: ok 1226 # molecular weight
173: ok 1227 # molecular exact mass
173: ok 1228 # molecular hydrogen-added formula
173: ok 1229 # molecule + hydrogens weight
173: ok 1230 # molecular exact mass after hydrogen addition
173: ok 1231 # molecular formula
173: ok 1232 # molecular weight
173: ok 1233 # molecular exact mass
173: ok 1234 # molecular hydrogen-added formula
173: ok 1235 # molecule + hydrogens weight
173: ok 1236 # molecular exact mass after hydrogen addition
173: ok 1237 # molecular formula
173: ok 1238 # molecular weight
173: ok 1239 # molecular exact mass
173: ok 1240 # molecular hydrogen-added formula
173: ok 1241 # molecule + hydrogens weight
173: ok 1242 # molecular exact mass after hydrogen addition
173: ok 1243 # molecular formula
173: ok 1244 # molecular weight
173: ok 1245 # molecular exact mass
173: ok 1246 # molecular hydrogen-added formula
173: ok 1247 # molecule + hydrogens weight
173: ok 1248 # molecular exact mass after hydrogen addition
173: ok 1249 # molecular formula
173: ok 1250 # molecular weight
173: ok 1251 # molecular exact mass
173: ok 1252 # molecular hydrogen-added formula
173: ok 1253 # molecule + hydrogens weight
173: ok 1254 # molecular exact mass after hydrogen addition
173: ok 1255 # molecular formula
173: ok 1256 # molecular weight
173: ok 1257 # molecular exact mass
173: ok 1258 # molecular hydrogen-added formula
173: ok 1259 # molecule + hydrogens weight
173: ok 1260 # molecular exact mass after hydrogen addition
173: ok 1261 # molecular formula
173: ok 1262 # molecular weight
173: ok 1263 # molecular exact mass
173: ok 1264 # molecular hydrogen-added formula
173: ok 1265 # molecule + hydrogens weight
173: ok 1266 # molecular exact mass after hydrogen addition
173: ok 1267 # molecular formula
173: ok 1268 # molecular weight
173: ok 1269 # molecular exact mass
173: ok 1270 # molecular hydrogen-added formula
173: ok 1271 # molecule + hydrogens weight
173: ok 1272 # molecular exact mass after hydrogen addition
173: ok 1273 # molecular formula
173: ok 1274 # molecular weight
173: ok 1275 # molecular exact mass
173: ok 1276 # molecular hydrogen-added formula
173: ok 1277 # molecule + hydrogens weight
173: ok 1278 # molecular exact mass after hydrogen addition
173: ok 1279 # molecular formula
173: ok 1280 # molecular weight
173: ok 1281 # molecular exact mass
173: ok 1282 # molecular hydrogen-added formula
173: ok 1283 # molecule + hydrogens weight
173: ok 1284 # molecular exact mass after hydrogen addition
173: ok 1285 # molecular formula
173: ok 1286 # molecular weight
173: ok 1287 # molecular exact mass
173: ok 1288 # molecular hydrogen-added formula
173: ok 1289 # molecule + hydrogens weight
173: ok 1290 # molecular exact mass after hydrogen addition
173: ok 1291 # molecular formula
173: ok 1292 # molecular weight
173: ok 1293 # molecular exact mass
173: ok 1294 # molecular hydrogen-added formula
173: ok 1295 # molecule + hydrogens weight
173: ok 1296 # molecular exact mass after hydrogen addition
173: ok 1297 # molecular formula
173: ok 1298 # molecular weight
173: ok 1299 # molecular exact mass
173: ok 1300 # molecular hydrogen-added formula
173: ok 1301 # molecule + hydrogens weight
173: ok 1302 # molecular exact mass after hydrogen addition
173: ok 1303 # molecular formula
173: ok 1304 # molecular weight
173: ok 1305 # molecular exact mass
173: ok 1306 # molecular hydrogen-added formula
173: ok 1307 # molecule + hydrogens weight
173: ok 1308 # molecular exact mass after hydrogen addition
173: ok 1309 # molecular formula
173: ok 1310 # molecular weight
173: ok 1311 # molecular exact mass
173: ok 1312 # molecular hydrogen-added formula
173: ok 1313 # molecule + hydrogens weight
173: ok 1314 # molecular exact mass after hydrogen addition
173: ok 1315 # molecular formula
173: ok 1316 # molecular weight
173: ok 1317 # molecular exact mass
173: ok 1318 # molecular hydrogen-added formula
173: ok 1319 # molecule + hydrogens weight
173: ok 1320 # molecular exact mass after hydrogen addition
173: ok 1321 # molecular formula
173: ok 1322 # molecular weight
173: ok 1323 # molecular exact mass
173: ok 1324 # molecular hydrogen-added formula
173: ok 1325 # molecule + hydrogens weight
173: ok 1326 # molecular exact mass after hydrogen addition
173: ok 1327 # molecular formula
173: ok 1328 # molecular weight
173: ok 1329 # molecular exact mass
173: ok 1330 # molecular hydrogen-added formula
173: ok 1331 # molecule + hydrogens weight
173: ok 1332 # molecular exact mass after hydrogen addition
173: ok 1333 # molecular formula
173: ok 1334 # molecular weight
173: ok 1335 # molecular exact mass
173: ok 1336 # molecular hydrogen-added formula
173: ok 1337 # molecule + hydrogens weight
173: ok 1338 # molecular exact mass after hydrogen addition
173: ok 1339 # molecular formula
173: ok 1340 # molecular weight
173: ok 1341 # molecular exact mass
173: ok 1342 # molecular hydrogen-added formula
173: ok 1343 # molecule + hydrogens weight
173: ok 1344 # molecular exact mass after hydrogen addition
173: ok 1345 # molecular formula
173: ok 1346 # molecular weight
173: ok 1347 # molecular exact mass
173: ok 1348 # molecular hydrogen-added formula
173: ok 1349 # molecule + hydrogens weight
173: ok 1350 # molecular exact mass after hydrogen addition
173: ok 1351 # molecular formula
173: ok 1352 # molecular weight
173: ok 1353 # molecular exact mass
173: ok 1354 # molecular hydrogen-added formula
173: ok 1355 # molecule + hydrogens weight
173: ok 1356 # molecular exact mass after hydrogen addition
173: ok 1357 # molecular formula
173: ok 1358 # molecular weight
173: ok 1359 # molecular exact mass
173: ok 1360 # molecular hydrogen-added formula
173: ok 1361 # molecule + hydrogens weight
173: ok 1362 # molecular exact mass after hydrogen addition
173: ok 1363 # molecular formula
173: ok 1364 # molecular weight
173: ok 1365 # molecular exact mass
173: ok 1366 # molecular hydrogen-added formula
173: ok 1367 # molecule + hydrogens weight
173: ok 1368 # molecular exact mass after hydrogen addition
173: ok 1369 # molecular formula
173: ok 1370 # molecular weight
173: ok 1371 # molecular exact mass
173: ok 1372 # molecular hydrogen-added formula
173: ok 1373 # molecule + hydrogens weight
173: ok 1374 # molecular exact mass after hydrogen addition
173: ok 1375 # molecular formula
173: ok 1376 # molecular weight
173: ok 1377 # molecular exact mass
173: ok 1378 # molecular hydrogen-added formula
173: ok 1379 # molecule + hydrogens weight
173: ok 1380 # molecular exact mass after hydrogen addition
173: ok 1381 # molecular formula
173: ok 1382 # molecular weight
173: ok 1383 # molecular exact mass
173: ok 1384 # molecular hydrogen-added formula
173: ok 1385 # molecule + hydrogens weight
173: ok 1386 # molecular exact mass after hydrogen addition
173: ok 1387 # molecular formula
173: ok 1388 # molecular weight
173: ok 1389 # molecular exact mass
173: ok 1390 # molecular hydrogen-added formula
173: ok 1391 # molecule + hydrogens weight
173: ok 1392 # molecular exact mass after hydrogen addition
173: ok 1393 # molecular formula
173: ok 1394 # molecular weight
173: ok 1395 # molecular exact mass
173: ok 1396 # molecular hydrogen-added formula
173: ok 1397 # molecule + hydrogens weight
173: ok 1398 # molecular exact mass after hydrogen addition
173: ok 1399 # molecular formula
173: ok 1400 # molecular weight
173: ok 1401 # molecular exact mass
173: ok 1402 # molecular hydrogen-added formula
173: ok 1403 # molecule + hydrogens weight
173: ok 1404 # molecular exact mass after hydrogen addition
173: ok 1405 # molecular formula
173: ok 1406 # molecular weight
173: ok 1407 # molecular exact mass
173: ok 1408 # molecular hydrogen-added formula
173: ok 1409 # molecule + hydrogens weight
173: ok 1410 # molecular exact mass after hydrogen addition
173: ok 1411 # molecular formula
173: ok 1412 # molecular weight
173: ok 1413 # molecular exact mass
173: ok 1414 # molecular hydrogen-added formula
173: ok 1415 # molecule + hydrogens weight
173: ok 1416 # molecular exact mass after hydrogen addition
173: ok 1417 # molecular formula
173: ok 1418 # molecular weight
173: ok 1419 # molecular exact mass
173: ok 1420 # molecular hydrogen-added formula
173: ok 1421 # molecule + hydrogens weight
173: ok 1422 # molecular exact mass after hydrogen addition
173: ok 1423 # molecular formula
173: ok 1424 # molecular weight
173: ok 1425 # molecular exact mass
173: ok 1426 # molecular hydrogen-added formula
173: ok 1427 # molecule + hydrogens weight
173: ok 1428 # molecular exact mass after hydrogen addition
173: ok 1429 # molecular formula
173: ok 1430 # molecular weight
173: ok 1431 # molecular exact mass
173: ok 1432 # molecular hydrogen-added formula
173: ok 1433 # molecule + hydrogens weight
173: ok 1434 # molecular exact mass after hydrogen addition
173: ok 1435 # molecular formula
173: ok 1436 # molecular weight
173: ok 1437 # molecular exact mass
173: ok 1438 # molecular hydrogen-added formula
173: ok 1439 # molecule + hydrogens weight
173: ok 1440 # molecular exact mass after hydrogen addition
173: ok 1441 # molecular formula
173: ok 1442 # molecular weight
173: ok 1443 # molecular exact mass
173: ok 1444 # molecular hydrogen-added formula
173: ok 1445 # molecule + hydrogens weight
173: ok 1446 # molecular exact mass after hydrogen addition
173: ok 1447 # molecular formula
173: ok 1448 # molecular weight
173: ok 1449 # molecular exact mass
173: ok 1450 # molecular hydrogen-added formula
173: ok 1451 # molecule + hydrogens weight
173: ok 1452 # molecular exact mass after hydrogen addition
173: ok 1453 # molecular formula
173: ok 1454 # molecular weight
173: ok 1455 # molecular exact mass
173: ok 1456 # molecular hydrogen-added formula
173: ok 1457 # molecule + hydrogens weight
173: ok 1458 # molecular exact mass after hydrogen addition
173: ok 1459 # molecular formula
173: ok 1460 # molecular weight
173: ok 1461 # molecular exact mass
173: ok 1462 # molecular hydrogen-added formula
173: ok 1463 # molecule + hydrogens weight
173: ok 1464 # molecular exact mass after hydrogen addition
173: ok 1465 # molecular formula
173: ok 1466 # molecular weight
173: ok 1467 # molecular exact mass
173: ok 1468 # molecular hydrogen-added formula
173: ok 1469 # molecule + hydrogens weight
173: ok 1470 # molecular exact mass after hydrogen addition
173: ok 1471 # molecular formula
173: ok 1472 # molecular weight
173: ok 1473 # molecular exact mass
173: ok 1474 # molecular hydrogen-added formula
173: ok 1475 # molecule + hydrogens weight
173: ok 1476 # molecular exact mass after hydrogen addition
173: ok 1477 # molecular formula
173: ok 1478 # molecular weight
173: ok 1479 # molecular exact mass
173: ok 1480 # molecular hydrogen-added formula
173: ok 1481 # molecule + hydrogens weight
173: ok 1482 # molecular exact mass after hydrogen addition
173: ok 1483 # molecular formula
173: ok 1484 # molecular weight
173: ok 1485 # molecular exact mass
173: ok 1486 # molecular hydrogen-added formula
173: ok 1487 # molecule + hydrogens weight
173: ok 1488 # molecular exact mass after hydrogen addition
173: ok 1489 # molecular formula
173: ok 1490 # molecular weight
173: ok 1491 # molecular exact mass
173: ok 1492 # molecular hydrogen-added formula
173: ok 1493 # molecule + hydrogens weight
173: ok 1494 # molecular exact mass after hydrogen addition
173: ok 1495 # molecular formula
173: ok 1496 # molecular weight
173: ok 1497 # molecular exact mass
173: ok 1498 # molecular hydrogen-added formula
173: ok 1499 # molecule + hydrogens weight
173: ok 1500 # molecular exact mass after hydrogen addition
173: ok 1501 # molecular formula
173: ok 1502 # molecular weight
173: ok 1503 # molecular exact mass
173: ok 1504 # molecular hydrogen-added formula
173: ok 1505 # molecule + hydrogens weight
173: ok 1506 # molecular exact mass after hydrogen addition
173: ok 1507 # molecular formula
173: ok 1508 # molecular weight
173: ok 1509 # molecular exact mass
173: ok 1510 # molecular hydrogen-added formula
173: ok 1511 # molecule + hydrogens weight
173: ok 1512 # molecular exact mass after hydrogen addition
173: ok 1513 # molecular formula
173: ok 1514 # molecular weight
173: ok 1515 # molecular exact mass
173: ok 1516 # molecular hydrogen-added formula
173: ok 1517 # molecule + hydrogens weight
173: ok 1518 # molecular exact mass after hydrogen addition
173: ok 1519 # molecular formula
173: ok 1520 # molecular weight
173: ok 1521 # molecular exact mass
173: ok 1522 # molecular hydrogen-added formula
173: ok 1523 # molecule + hydrogens weight
173: ok 1524 # molecular exact mass after hydrogen addition
173: ok 1525 # molecular formula
173: ok 1526 # molecular weight
173: ok 1527 # molecular exact mass
173: ok 1528 # molecular hydrogen-added formula
173: ok 1529 # molecule + hydrogens weight
173: ok 1530 # molecular exact mass after hydrogen addition
173: ok 1531 # molecular formula
173: ok 1532 # molecular weight
173: ok 1533 # molecular exact mass
173: ok 1534 # molecular hydrogen-added formula
173: ok 1535 # molecule + hydrogens weight
173: ok 1536 # molecular exact mass after hydrogen addition
173: ok 1537 # molecular formula
173: ok 1538 # molecular weight
173: ok 1539 # molecular exact mass
173: ok 1540 # molecular hydrogen-added formula
173: ok 1541 # molecule + hydrogens weight
173: ok 1542 # molecular exact mass after hydrogen addition
173: ok 1543 # molecular formula
173: ok 1544 # molecular weight
173: ok 1545 # molecular exact mass
173: ok 1546 # molecular hydrogen-added formula
173: ok 1547 # molecule + hydrogens weight
173: ok 1548 # molecular exact mass after hydrogen addition
173: ok 1549 # molecular formula
173: ok 1550 # molecular weight
173: ok 1551 # molecular exact mass
173: ok 1552 # molecular hydrogen-added formula
173: ok 1553 # molecule + hydrogens weight
173: ok 1554 # molecular exact mass after hydrogen addition
173: ok 1555 # molecular formula
173: ok 1556 # molecular weight
173: ok 1557 # molecular exact mass
173: ok 1558 # molecular hydrogen-added formula
173: ok 1559 # molecule + hydrogens weight
173: ok 1560 # molecular exact mass after hydrogen addition
173: ok 1561 # molecular formula
173: ok 1562 # molecular weight
173: ok 1563 # molecular exact mass
173: ok 1564 # molecular hydrogen-added formula
173: ok 1565 # molecule + hydrogens weight
173: ok 1566 # molecular exact mass after hydrogen addition
173: ok 1567 # molecular formula
173: ok 1568 # molecular weight
173: ok 1569 # molecular exact mass
173: ok 1570 # molecular hydrogen-added formula
173: ok 1571 # molecule + hydrogens weight
173: ok 1572 # molecular exact mass after hydrogen addition
173: ok 1573 # molecular formula
173: ok 1574 # molecular weight
173: ok 1575 # molecular exact mass
173: ok 1576 # molecular hydrogen-added formula
173: ok 1577 # molecule + hydrogens weight
173: ok 1578 # molecular exact mass after hydrogen addition
173: ok 1579 # molecular formula
173: ok 1580 # molecular weight
173: ok 1581 # molecular exact mass
173: ok 1582 # molecular hydrogen-added formula
173: ok 1583 # molecule + hydrogens weight
173: ok 1584 # molecular exact mass after hydrogen addition
173: ok 1585 # molecular formula
173: ok 1586 # molecular weight
173: ok 1587 # molecular exact mass
173: ok 1588 # molecular hydrogen-added formula
173: ok 1589 # molecule + hydrogens weight
173: ok 1590 # molecular exact mass after hydrogen addition
173: ok 1591 # molecular formula
173: ok 1592 # molecular weight
173: ok 1593 # molecular exact mass
173: ok 1594 # molecular hydrogen-added formula
173: ok 1595 # molecule + hydrogens weight
173: ok 1596 # molecular exact mass after hydrogen addition
173: ok 1597 # molecular formula
173: ok 1598 # molecular weight
173: ok 1599 # molecular exact mass
173: ok 1600 # molecular hydrogen-added formula
173: ok 1601 # molecule + hydrogens weight
173: ok 1602 # molecular exact mass after hydrogen addition
173: ok 1603 # molecular formula
173: ok 1604 # molecular weight
173: ok 1605 # molecular exact mass
173: ok 1606 # molecular hydrogen-added formula
173: ok 1607 # molecule + hydrogens weight
173: ok 1608 # molecular exact mass after hydrogen addition
173: ok 1609 # molecular formula
173: ok 1610 # molecular weight
173: ok 1611 # molecular exact mass
173: ok 1612 # molecular hydrogen-added formula
173: ok 1613 # molecule + hydrogens weight
173: ok 1614 # molecular exact mass after hydrogen addition
173: ok 1615 # molecular formula
173: ok 1616 # molecular weight
173: ok 1617 # molecular exact mass
173: ok 1618 # molecular hydrogen-added formula
173: ok 1619 # molecule + hydrogens weight
173: ok 1620 # molecular exact mass after hydrogen addition
173: ok 1621 # molecular formula
173: ok 1622 # molecular weight
173: ok 1623 # molecular exact mass
173: ok 1624 # molecular hydrogen-added formula
173: ok 1625 # molecule + hydrogens weight
173: ok 1626 # molecular exact mass after hydrogen addition
173: ok 1627 # molecular formula
173: ok 1628 # molecular weight
173: ok 1629 # molecular exact mass
173: ok 1630 # molecular hydrogen-added formula
173: ok 1631 # molecule + hydrogens weight
173: ok 1632 # molecular exact mass after hydrogen addition
173: 1..1632
156/208 Test #173: test_formula_1 ...................   Passed    0.47 sec
174: # Unit tests for z-matrix conversion 
174: 1..2
174: ok 1
174: ok 2
157/208 Test #174: test_internalcoord_1 .............   Passed    0.47 sec
172: # Unit tests for OBFormat 
172: 1..4
172: ok 1
172: ok 2
172: ok 3
172: ok 4
158/208 Test #172: test_format_1 ....................   Passed    0.47 sec
159/208 Test  #95: test_spectrophore_1 ..............   Passed    0.66 sec
175: # Testing invalid SMARTS parsing...
175: ok 1
175: ok 2
175: ok 3
175: ok 4
175: ok 5
175: ok 6
175: ok 7
175: ok 8
175: ok 9
175: ok 10
175: ok 11
175: ok 12
175: ok 13
175: ok 14
175: ok 15
175: ok 16
175: ok 17
175: ok 18
175: ok 19
175: ok 20 # random data #1 
175: # read 104188
175: ok 21 # random data #2 
175: # read 77768
175: ok 22 # random data #3 
175: # read 100058
175: 1..22
176: Usage: invalid-smiles
176:    Tests Open Babel SMILES parsing - rejecting invalid patterns.
177: 
177: # Testing iterators...  
177: ok 1
177: ok 2
177: ok 3
177: ok 4
177: ok 5
177: ok 6
177: ok 7
177: ok 8
177: ok 9
177: ok 10
177: ok 11
177: ok 12
177: ok 13
177: ok 14
177: ok 15
177: ok 16
177: ok 17
177: ok 18
177: ok 19
177: ok 20
177: ok 21
177: ok 22
177: ok 23
177: ok 24
177: ok 25
177: ok 26
177: ok 27
177: ok 28
177: ok 29
177: ok 30
177: ok 31
177: ok 32
177: ok 33
177: ok 34
177: ok 35
177: ok 36
177: ok 37
177: ok 38
177: ok 39
177: ok 40
177: ok 41
177: ok 42
177: ok 43
177: ok 44
177: ok 45
177: ok 46
177: ok 47
177: ok 48
177: ok 49
177: ok 50
177: ok 51
177: ok 52
177: ok 53
177: ok 54
177: ok 55
177: ok 56
177: ok 57
177: ok 58
177: ok 59
177: ok 60
177: ok 61
177: ok 62
177: ok 63
177: ok 64
177: ok 65
177: ok 66
177: ok 67
177: ok 68
177: ok 69
177: ok 70
177: ok 71
177: ok 72
177: ok 73
177: ok 74
177: ok 75
177: ok 76
177: ok 77
177: ok 78
177: ok 79
177: ok 80
177: ok 81
177: ok 82
177: ok 83
177: ok 84
177: ok 85
177: ok 86
177: ok 87
177: ok 88
177: ok 89
177: ok 90
177: ok 91
177: ok 92
177: ok 93
177: ok 94
177: ok 95
177: ok 96
177: ok 97
177: ok 98
177: ok 99
177: ok 100
177: ok 101
177: ok 102
177: ok 103
177: ok 104
177: ok 105
177: ok 106
177: ok 107
177: ok 108
177: ok 109
177: ok 110
177: ok 111
177: ok 112
177: ok 113
177: ok 114
177: ok 115
177: ok 116
177: ok 117
177: ok 118
177: ok 119
177: ok 120
177: ok 121
177: ok 122
177: ok 123
177: ok 124
177: ok 125
177: ok 126
177: ok 127
177: ok 128
177: ok 129
177: ok 130
177: ok 131
177: ok 132
177: ok 133
177: ok 134
177: ok 135
177: ok 136
177: ok 137
177: ok 138
177: ok 139
177: ok 140
177: ok 141
177: ok 142
177: ok 143
177: ok 144
177: ok 145
177: ok 146
177: ok 147
177: ok 148
177: ok 149
177: ok 150
177: ok 151
177: ok 152
177: ok 153
177: ok 154
177: ok 155
177: ok 156
177: ok 157
177: ok 158
177: ok 159
177: ok 160
177: ok 161
177: ok 162
177: ok 163
177: ok 164
177: ok 165
177: ok 166
177: ok 167
177: ok 168
177: ok 169
177: ok 170
177: ok 171
177: ok 172
177: ok 173
177: ok 174
177: ok 175
177: ok 176
177: ok 177
177: ok 178
177: ok 179
177: ok 180
177: ok 181
177: ok 182
177: ok 183
177: ok 184
177: ok 185
177: ok 186
177: ok 187
177: ok 188
177: ok 189
177: ok 190
177: ok 191
177: ok 192
177: ok 193
177: ok 194
177: ok 195
177: ok 196
177: ok 197
177: ok 198
177: ok 199
177: ok 200
177: ok 201
177: ok 202
177: ok 203
177: ok 204
177: ok 205
177: ok 206
177: ok 207
177: ok 208
177: ok 209
177: ok 210
177: ok 211
177: ok 212
177: ok 213
177: ok 214
177: ok 215
177: ok 216
177: ok 217
177: ok 218
177: ok 219
177: ok 220
177: ok 221
177: ok 222
177: ok 223
177: ok 224
177: ok 225
177: ok 226
177: ok 227
177: ok 228
177: ok 229
177: ok 230
177: ok 231
177: ok 232
177: ok 233
177: ok 234
177: ok 235
177: ok 236
177: ok 237
177: ok 238
177: ok 239
177: ok 240
177: ok 241
177: ok 242
177: ok 243
177: ok 244
177: ok 245
177: ok 246
177: ok 247
177: ok 248
177: ok 249
177: ok 250
177: ok 251
177: ok 252
177: ok 253
177: ok 254
177: ok 255
177: ok 256
177: ok 257
177: ok 258
177: ok 259
177: ok 260
177: ok 261
177: ok 262
177: ok 263
177: ok 264
177: ok 265
177: ok 266
177: ok 267
177: ok 268
177: ok 269
177: ok 270
177: ok 271
177: ok 272
177: ok 273
177: ok 274
177: ok 275
177: ok 276
177: ok 277
177: ok 278
177: ok 279
177: ok 280
177: ok 281
177: ok 282
177: ok 283
177: ok 284
177: ok 285
177: ok 286
177: ok 287
177: ok 288
177: ok 289
177: ok 290
177: ok 291
177: ok 292
177: ok 293
177: ok 294
177: ok 295
177: ok 296
177: ok 297
177: ok 298
177: ok 299
177: ok 300
177: ok 301
177: ok 302
177: ok 303
177: ok 304
177: ok 305
177: ok 306
177: ok 307
177: ok 308
177: ok 309
177: ok 310
177: ok 311
177: ok 312
177: ok 313
177: ok 314
177: ok 315
177: ok 316
177: ok 317
177: ok 318
177: ok 319
177: ok 320
177: ok 321
177: ok 322
177: ok 323
177: ok 324
177: ok 325
177: ok 326
177: ok 327
177: ok 328
177: ok 329
177: ok 330
177: ok 331
177: ok 332
177: ok 333
177: ok 334
177: ok 335
177: ok 336
177: ok 337
177: ok 338
177: ok 339
177: ok 340
177: ok 341
177: ok 342
177: ok 343
177: ok 344
177: ok 345
177: ok 346
177: ok 347
177: ok 348
177: ok 349
177: ok 350
177: ok 351
177: ok 352
177: ok 353
177: ok 354
177: ok 355
177: ok 356
177: ok 357
177: ok 358
177: ok 359
177: ok 360
177: ok 361
177: ok 362
177: ok 363
177: ok 364
177: ok 365
177: ok 366
177: ok 367
177: ok 368
177: ok 369
177: ok 370
177: ok 371
177: ok 372
177: ok 373
177: ok 374
177: ok 375
177: ok 376
177: ok 377
177: ok 378
177: ok 379
177: ok 380
177: ok 381
177: ok 382
177: ok 383
177: ok 384
177: ok 385
177: ok 386
177: ok 387
177: ok 388
177: ok 389
177: ok 390
177: ok 391
177: ok 392
177: ok 393
177: ok 394
177: ok 395
177: ok 396
177: ok 397
177: ok 398
177: ok 399
177: ok 400
177: ok 401
177: ok 402
177: ok 403
177: ok 404
177: ok 405
177: ok 406
177: ok 407
177: ok 408
177: ok 409
177: ok 410
177: ok 411
177: ok 412
177: ok 413
177: ok 414
177: ok 415
177: ok 416
177: ok 417
177: ok 418
177: ok 419
177: ok 420
177: ok 421
177: ok 422
177: ok 423
177: ok 424
177: ok 425
177: ok 426
177: ok 427
177: ok 428
177: ok 429
177: ok 430
177: ok 431
177: ok 432
177: ok 433
177: ok 434
177: ok 435
177: ok 436
177: ok 437
177: ok 438
177: ok 439
177: ok 440
177: ok 441
177: ok 442
177: ok 443
177: ok 444
177: ok 445
177: ok 446
177: ok 447
177: ok 448
177: ok 449
177: ok 450
177: ok 451
177: ok 452
177: ok 453
177: ok 454
177: ok 455
177: ok 456
177: ok 457
177: ok 458
177: ok 459
177: ok 460
177: ok 461
177: ok 462
177: ok 463
177: ok 464
177: ok 465
177: ok 466
177: ok 467
177: ok 468
177: ok 469
177: ok 470
177: ok 471
177: ok 472
177: ok 473
177: ok 474
177: ok 475
177: ok 476
177: ok 477
177: ok 478
177: ok 479
177: ok 480
177: ok 481
177: ok 482
177: ok 483
177: ok 484
177: ok 485
177: ok 486
177: ok 487
177: ok 488
177: ok 489
177: ok 490
177: ok 491
177: ok 492
177: ok 493
177: ok 494
177: ok 495
177: ok 496
177: ok 497
177: ok 498
177: ok 499
177: ok 500
177: ok 501
177: ok 502
177: ok 503
177: ok 504
177: ok 505
177: ok 506
177: ok 507
177: ok 508
177: ok 509
177: ok 510
177: ok 511
177: ok 512
177: ok 513
177: ok 514
177: ok 515
177: ok 516
177: ok 517
177: ok 518
177: ok 519
177: ok 520
177: ok 521
177: ok 522
177: ok 523
177: ok 524
177: ok 525
177: ok 526
177: ok 527
177: ok 528
177: ok 529
177: ok 530
177: ok 531
177: ok 532
177: ok 533
177: ok 534
177: ok 535
177: ok 536
177: ok 537
177: ok 538
177: ok 539
177: ok 540
177: ok 541
177: ok 542
177: ok 543
177: ok 544
177: ok 545
177: ok 546
177: ok 547
177: ok 548
177: ok 549
177: ok 550
177: ok 551
177: ok 552
177: ok 553
177: ok 554
177: ok 555
177: ok 556
177: ok 557
177: ok 558
177: ok 559
177: ok 560
177: ok 561
177: ok 562
177: ok 563
177: ok 564
177: ok 565
177: ok 566
177: ok 567
177: ok 568
177: ok 569
177: ok 570
177: ok 571
177: ok 572
177: ok 573
177: ok 574
177: ok 575
177: ok 576
177: ok 577
177: ok 578
177: ok 579
177: ok 580
177: ok 581
177: ok 582
177: ok 583
177: ok 584
177: ok 585
177: ok 586
177: ok 587
177: ok 588
177: ok 589
177: ok 590
177: ok 591
177: ok 592
177: ok 593
177: ok 594
177: ok 595
177: ok 596
177: ok 597
177: ok 598
177: ok 599
177: ok 600
177: ok 601
177: ok 602
177: ok 603
177: ok 604
177: ok 605
177: ok 606
177: ok 607
177: ok 608
177: ok 609
177: ok 610
177: ok 611
177: ok 612
177: ok 613
177: ok 614
177: ok 615
177: ok 616
177: ok 617
177: ok 618
177: ok 619
177: ok 620
177: ok 621
177: ok 622
177: ok 623
177: ok 624
177: ok 625
177: ok 626
177: ok 627
177: ok 628
177: ok 629
177: ok 630
177: ok 631
177: ok 632
177: ok 633
177: ok 634
177: ok 635
177: ok 636
177: ok 637
177: ok 638
177: ok 639
177: ok 640
177: ok 641
177: ok 642
177: ok 643
177: ok 644
177: ok 645
177: ok 646
177: ok 647
177: ok 648
177: ok 649
177: ok 650
177: ok 651
177: ok 652
177: ok 653
177: ok 654
177: ok 655
177: ok 656
177: ok 657
177: ok 658
177: ok 659
177: ok 660
177: ok 661
177: ok 662
177: ok 663
177: ok 664
177: ok 665
177: ok 666
177: ok 667
177: ok 668
177: ok 669
177: ok 670
177: ok 671
177: ok 672
177: ok 673
177: ok 674
177: ok 675
177: ok 676
177: ok 677
177: ok 678
177: ok 679
177: ok 680
177: ok 681
177: ok 682
177: ok 683
177: ok 684
177: ok 685
177: ok 686
177: ok 687
177: ok 688
177: ok 689
177: ok 690
177: ok 691
177: ok 692
177: ok 693
177: ok 694
177: ok 695
177: ok 696
177: ok 697
177: ok 698
177: ok 699
177: ok 700
177: ok 701
177: ok 702
177: ok 703
177: ok 704
177: ok 705
177: ok 706
177: ok 707
177: ok 708
177: ok 709
177: ok 710
177: ok 711
177: ok 712
177: ok 713
177: ok 714
177: ok 715
177: ok 716
177: ok 717
177: ok 718
177: ok 719
177: ok 720
177: ok 721
177: ok 722
177: ok 723
177: ok 724
177: ok 725
177: ok 726
177: ok 727
177: ok 728
177: ok 729
177: ok 730
177: ok 731
177: ok 732
177: ok 733
177: ok 734
177: ok 735
177: ok 736
177: ok 737
177: ok 738
177: ok 739
177: ok 740
177: ok 741
177: ok 742
177: ok 743
177: ok 744
177: ok 745
177: ok 746
177: ok 747
177: ok 748
177: ok 749
177: ok 750
177: ok 751
177: ok 752
177: ok 753
177: ok 754
177: ok 755
177: ok 756
177: ok 757
177: ok 758
177: ok 759
177: ok 760
177: ok 761
177: ok 762
177: ok 763
177: ok 764
177: ok 765
177: ok 766
177: ok 767
177: ok 768
177: ok 769
177: ok 770
177: ok 771
177: ok 772
177: ok 773
177: ok 774
177: ok 775
177: ok 776
177: ok 777
177: ok 778
177: ok 779
177: ok 780
177: ok 781
177: ok 782
177: ok 783
177: ok 784
177: ok 785
177: ok 786
177: ok 787
177: ok 788
177: ok 789
177: ok 790
177: ok 791
177: ok 792
177: ok 793
177: ok 794
177: ok 795
177: ok 796
177: ok 797
177: ok 798
177: ok 799
177: ok 800
177: ok 801
177: ok 802
177: ok 803
177: ok 804
177: ok 805
177: ok 806
177: ok 807
177: ok 808
177: ok 809
177: ok 810
177: ok 811
177: ok 812
177: ok 813
177: ok 814
177: ok 815
177: ok 816
177: ok 817
177: ok 818
177: ok 819
177: ok 820
177: ok 821
177: ok 822
177: ok 823
177: ok 824
177: ok 825
177: ok 826
177: ok 827
177: ok 828
177: ok 829
177: ok 830
177: ok 831
177: ok 832
177: ok 833
177: ok 834
177: ok 835
177: ok 836
177: ok 837
177: ok 838
177: ok 839
177: ok 840
177: ok 841
177: ok 842
177: ok 843
177: ok 844
177: ok 845
177: ok 846
177: ok 847
177: ok 848
177: ok 849
177: ok 850
177: ok 851
177: ok 852
177: ok 853
177: ok 854
177: ok 855
177: ok 856
177: ok 857
177: ok 858
177: ok 859
177: ok 860
177: ok 861
177: ok 862
177: ok 863
177: ok 864
177: ok 865
177: ok 866
177: ok 867
177: ok 868
177: ok 869
177: ok 870
177: ok 871
177: ok 872
177: ok 873
177: ok 874
177: ok 875
177: ok 876
177: ok 877
177: ok 878
177: ok 879
177: ok 880
177: ok 881
177: ok 882
177: ok 883
177: ok 884
177: ok 885
177: ok 886
177: ok 887
177: ok 888
177: ok 889
177: ok 890
177: ok 891
177: ok 892
177: ok 893
177: ok 894
177: ok 895
177: ok 896
177: ok 897
177: ok 898
177: ok 899
177: ok 900
177: ok 901
177: ok 902
177: ok 903
177: ok 904
177: ok 905
177: ok 906
177: ok 907
177: ok 908
177: ok 909
177: ok 910
177: ok 911
177: ok 912
177: ok 913
177: ok 914
177: ok 915
177: ok 916
177: ok 917
177: ok 918
177: ok 919
177: ok 920
177: ok 921
177: ok 922
177: ok 923
177: ok 924
177: ok 925
177: ok 926
177: ok 927
177: ok 928
177: ok 929
177: ok 930
177: ok 931
177: ok 932
177: ok 933
177: ok 934
177: ok 935
177: ok 936
177: ok 937
177: ok 938
177: ok 939
177: ok 940
177: ok 941
177: ok 942
177: ok 943
177: ok 944
177: ok 945
177: ok 946
177: ok 947
177: ok 948
177: ok 949
177: ok 950
177: ok 951
177: ok 952
177: ok 953
177: ok 954
177: ok 955
177: ok 956
177: ok 957
177: ok 958
177: ok 959
177: ok 960
177: ok 961
177: ok 962
177: ok 963
177: ok 964
177: ok 965
177: ok 966
177: ok 967
177: ok 968
177: ok 969
177: ok 970
177: ok 971
177: ok 972
177: ok 973
177: ok 974
177: ok 975
177: ok 976
177: ok 977
177: ok 978
177: ok 979
177: ok 980
177: ok 981
177: ok 982
177: ok 983
177: ok 984
177: ok 985
177: ok 986
177: ok 987
177: ok 988
177: ok 989
177: ok 990
177: ok 991
177: ok 992
177: ok 993
177: ok 994
177: ok 995
177: ok 996
177: ok 997
177: ok 998
177: ok 999
177: ok 1000
177: ok 1001
177: ok 1002
177: ok 1003
177: ok 1004
177: ok 1005
177: ok 1006
177: ok 1007
177: ok 1008
177: ok 1009
177: ok 1010
177: ok 1011
177: ok 1012
177: ok 1013
177: ok 1014
177: ok 1015
177: ok 1016
177: ok 1017
177: ok 1018
177: ok 1019
177: ok 1020
177: ok 1021
177: ok 1022
177: ok 1023
177: ok 1024
177: ok 1025
177: ok 1026
177: ok 1027
177: ok 1028
177: ok 1029
177: ok 1030
177: ok 1031
177: ok 1032
177: ok 1033
177: ok 1034
177: ok 1035
177: ok 1036
177: ok 1037
177: ok 1038
177: ok 1039
177: ok 1040
177: ok 1041
177: ok 1042
177: ok 1043
177: ok 1044
177: ok 1045
177: ok 1046
177: ok 1047
177: ok 1048
177: ok 1049
177: ok 1050
177: ok 1051
177: ok 1052
177: ok 1053
177: ok 1054
177: ok 1055
177: ok 1056
177: ok 1057
177: ok 1058
177: ok 1059
177: ok 1060
177: ok 1061
177: ok 1062
177: ok 1063
177: ok 1064
177: ok 1065
177: ok 1066
177: ok 1067
177: ok 1068
177: ok 1069
177: ok 1070
177: ok 1071
177: ok 1072
177: ok 1073
177: ok 1074
177: ok 1075
177: ok 1076
177: ok 1077
177: ok 1078
177: ok 1079
177: ok 1080
177: ok 1081
177: ok 1082
177: ok 1083
177: ok 1084
177: ok 1085
177: ok 1086
177: ok 1087
177: ok 1088
177: ok 1089
177: ok 1090
177: ok 1091
177: ok 1092
177: ok 1093
177: ok 1094
177: ok 1095
177: ok 1096
177: ok 1097
177: ok 1098
177: ok 1099
177: ok 1100
177: ok 1101
177: ok 1102
177: ok 1103
177: ok 1104
177: ok 1105
177: ok 1106
177: ok 1107
177: ok 1108
177: ok 1109
177: ok 1110
177: ok 1111
177: ok 1112
177: ok 1113
177: ok 1114
177: ok 1115
177: ok 1116
177: ok 1117
177: ok 1118
177: ok 1119
177: ok 1120
177: ok 1121
177: ok 1122
177: ok 1123
177: ok 1124
177: ok 1125
177: ok 1126
177: ok 1127
177: ok 1128
177: ok 1129
177: ok 1130
177: ok 1131
177: ok 1132
177: ok 1133
177: ok 1134
177: ok 1135
177: ok 1136
177: ok 1137
177: ok 1138
177: ok 1139
177: ok 1140
177: ok 1141
177: ok 1142
177: ok 1143
177: ok 1144
177: ok 1145
177: ok 1146
177: ok 1147
177: ok 1148
177: ok 1149
177: ok 1150
177: ok 1151
177: ok 1152
177: ok 1153
177: ok 1154
177: ok 1155
177: ok 1156
177: ok 1157
177: ok 1158
177: ok 1159
177: ok 1160
177: ok 1161
177: ok 1162
177: ok 1163
177: ok 1164
177: ok 1165
177: ok 1166
177: ok 1167
177: ok 1168
177: ok 1169
177: ok 1170
177: ok 1171
177: ok 1172
177: ok 1173
177: ok 1174
177: ok 1175
177: ok 1176
177: ok 1177
177: ok 1178
177: ok 1179
177: ok 1180
177: ok 1181
177: ok 1182
177: ok 1183
177: ok 1184
177: ok 1185
177: ok 1186
177: ok 1187
177: ok 1188
177: ok 1189
177: ok 1190
177: ok 1191
177: ok 1192
177: ok 1193
177: ok 1194
177: ok 1195
177: ok 1196
177: ok 1197
177: ok 1198
177: ok 1199
177: ok 1200
177: ok 1201
177: ok 1202
177: ok 1203
177: ok 1204
177: ok 1205
177: ok 1206
177: ok 1207
177: ok 1208
177: ok 1209
177: ok 1210
177: ok 1211
177: ok 1212
177: ok 1213
177: ok 1214
177: ok 1215
177: ok 1216
177: ok 1217
177: ok 1218
177: ok 1219
177: ok 1220
177: ok 1221
177: ok 1222
177: ok 1223
177: ok 1224
177: ok 1225
177: ok 1226
177: ok 1227
177: ok 1228
177: ok 1229
177: ok 1230
177: ok 1231
177: ok 1232
177: ok 1233
177: ok 1234
177: ok 1235
177: ok 1236
177: ok 1237
177: ok 1238
177: ok 1239
177: ok 1240
177: ok 1241
177: ok 1242
177: ok 1243
177: ok 1244
177: ok 1245
177: ok 1246
177: ok 1247
177: ok 1248
177: ok 1249
177: ok 1250
177: ok 1251
177: ok 1252
177: ok 1253
177: ok 1254
177: ok 1255
177: ok 1256
177: ok 1257
177: ok 1258
177: ok 1259
177: ok 1260
177: ok 1261
177: ok 1262
177: ok 1263
177: ok 1264
177: ok 1265
177: ok 1266
177: ok 1267
177: ok 1268
177: ok 1269
177: ok 1270
177: ok 1271
177: ok 1272
177: ok 1273
177: ok 1274
177: ok 1275
177: ok 1276
177: ok 1277
177: ok 1278
177: ok 1279
177: ok 1280
177: ok 1281
177: ok 1282
177: ok 1283
177: ok 1284
177: ok 1285
177: ok 1286
177: ok 1287
177: ok 1288
177: ok 1289
177: ok 1290
177: ok 1291
177: ok 1292
177: ok 1293
177: ok 1294
177: ok 1295
177: ok 1296
177: ok 1297
177: ok 1298
177: ok 1299
177: ok 1300
177: ok 1301
177: ok 1302
177: ok 1303
177: ok 1304
177: ok 1305
177: ok 1306
177: ok 1307
177: ok 1308
177: ok 1309
177: ok 1310
177: ok 1311
177: ok 1312
177: ok 1313
177: ok 1314
177: ok 1315
177: ok 1316
177: ok 1317
177: ok 1318
177: ok 1319
177: ok 1320
177: ok 1321
177: ok 1322
177: ok 1323
177: ok 1324
177: ok 1325
177: ok 1326
177: ok 1327
177: ok 1328
177: ok 1329
177: ok 1330
177: ok 1331
177: ok 1332
177: ok 1333
177: ok 1334
177: ok 1335
177: ok 1336
177: ok 1337
177: ok 1338
177: ok 1339
177: ok 1340
177: ok 1341
177: ok 1342
177: 1..1342
178: # Unit tests for OBLogP and OBPSA 
178: 1..7
178: ok 1
178: ok 2 # 1.4008
178: ok 3 # 29.46
178: ok 4 # 2.5815
178: ok 5 # 0
178: ok 6 # 2.0264
178: ok 7 # 29.1
179: # math: repeating each test 1000 times
179: # Testing MMFF94 Force Field...
179: # math: entering testBasics_vector3
179: ok 1
179: ok 2
179: ok 3
179: ok 4
179: ok 5
179: ok 6
179: ok 7
179: ok 8
179: ok 9
179: ok 10
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179: ok 383
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179: ok 471
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179: ok 473
179: ok 474
179: ok 475
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179: ok 557
179: ok 558
179: ok 559
179: ok 560
179: ok 561
179: ok 562
179: ok 563
179: ok 564
179: ok 565
179: ok 566
179: ok 567
179: ok 568
179: ok 569
179: ok 570
179: ok 571
179: ok 572
179: ok 573
179: ok 574
179: ok 575
179: ok 576
179: ok 577
179: ok 578
179: ok 579
179: ok 580
179: ok 581
179: ok 582
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179: ok 584
179: ok 585
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179: ok 587
179: ok 588
179: ok 589
179: ok 590
179: ok 591
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179: ok 596
179: ok 597
179: ok 598
179: ok 599
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179: ok 615
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179: ok 618
179: ok 619
179: ok 620
179: ok 621
179: ok 622
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179: ok 624
179: ok 625
179: ok 626
179: ok 627
179: ok 628
179: ok 629
179: ok 630
179: ok 631
179: ok 632
179: ok 633
179: ok 634
179: ok 635
179: ok 636
179: ok 637
179: ok 638
179: ok 639
179: ok 640
179: ok 641
179: ok 642
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179: ok 645
179: ok 646
179: ok 647
179: ok 648
179: ok 649
179: ok 650
179: ok 651
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179: ok 653
179: ok 654
179: ok 655
179: ok 656
179: ok 657
179: ok 658
179: ok 659
179: ok 660
179: ok 661
179: ok 662
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179: ok 665
179: ok 666
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179: ok 668
179: ok 669
179: ok 670
179: ok 671
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179: ok 673
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179: ok 676
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179: ok 678
179: ok 679
179: ok 680
179: ok 681
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179: ok 684
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179: ok 693
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179: ok 695
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179: ok 697
179: ok 698
179: ok 699
179: ok 700
179: ok 701
179: ok 702
179: ok 703
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179: ok 705
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179: ok 707
179: ok 708
179: ok 709
179: ok 710
179: ok 711
179: ok 712
179: ok 713
179: ok 714
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179: ok 717
179: ok 718
179: ok 719
179: ok 720
179: ok 721
179: ok 722
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179: ok 725
179: ok 726
179: ok 727
179: ok 728
179: ok 729
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179: ok 731
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179: ok 733
179: ok 734
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179: ok 751
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179: ok 765
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179: ok 781
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179: ok 827
179: ok 828
179: ok 829
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179: ok 859
179: ok 860
179: ok 861
179: ok 862
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179: ok 864
179: ok 865
179: ok 866
179: ok 867
179: ok 868
179: ok 869
179: ok 870
179: ok 871
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179: ok 888
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179: ok 895
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179: ok 899
179: ok 900
179: ok 901
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179: ok 903
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179: ok 909
179: ok 910
179: ok 911
179: ok 912
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179: ok 923
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179: ok 925
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179: ok 927
179: ok 928
179: ok 929
179: ok 930
179: ok 931
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179: ok 933
179: ok 934
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179: ok 948
179: ok 949
179: ok 950
179: ok 951
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179: ok 953
179: ok 954
179: ok 955
179: ok 956
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179: ok 958
179: ok 959
179: ok 960
179: ok 961
179: ok 962
179: ok 963
179: ok 964
179: ok 965
179: ok 966
179: ok 967
179: ok 968
179: ok 969
179: ok 970
179: ok 971
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179: ok 973
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179: ok 975
179: ok 976
179: ok 977
179: ok 978
179: ok 979
179: ok 980
179: ok 981
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179: ok 984
179: ok 985
179: ok 986
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179: ok 988
179: ok 989
179: ok 990
179: ok 991
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179: ok 993
179: ok 994
179: ok 995
179: ok 996
179: ok 997
179: ok 998
179: ok 999
179: ok 1000
179: ok 1001
179: ok 1002
179: ok 1003
179: ok 1004
179: ok 1005
179: ok 1006
179: ok 1007
179: ok 1008
179: ok 1009
179: ok 1010
179: ok 1011
179: ok 1012
179: ok 1013
179: ok 1014
179: ok 1015
179: ok 1016
179: ok 1017
179: ok 1018
179: ok 1019
179: ok 1020
179: ok 1021
179: ok 1022
179: ok 1023
179: ok 1024
179: ok 1025
179: ok 1026
179: ok 1027
179: ok 1028
179: ok 1029
179: ok 1030
179: ok 1031
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179: ok 1034
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179: ok 1058
179: ok 1059
179: ok 1060
179: ok 1061
179: ok 1062
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179: ok 1064
179: ok 1065
179: ok 1066
179: ok 1067
179: ok 1068
179: ok 1069
179: ok 1070
179: ok 1071
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179: ok 1073
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179: ok 1076
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179: ok 1078
179: ok 1079
179: ok 1080
179: ok 1081
179: ok 1082
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179: ok 1084
179: ok 1085
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179: ok 1088
179: ok 1089
179: ok 1090
179: ok 1091
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179: ok 1093
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179: ok 1095
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179: ok 1097
179: ok 1098
179: ok 1099
179: ok 1100
179: ok 1101
179: ok 1102
179: ok 1103
179: ok 1104
179: ok 1105
179: ok 1106
179: ok 1107
179: ok 1108
179: ok 1109
179: ok 1110
179: ok 1111
179: ok 1112
179: ok 1113
179: ok 1114
179: ok 1115
179: ok 1116
179: ok 1117
179: ok 1118
179: ok 1119
179: ok 1120
179: ok 1121
179: ok 1122
179: ok 1123
179: ok 1124
179: ok 1125
179: ok 1126
179: ok 1127
179: ok 1128
179: ok 1129
179: ok 1130
179: ok 1131
179: ok 1132
179: ok 1133
179: ok 1134
179: ok 1135
179: ok 1136
179: ok 1137
179: ok 1138
179: ok 1139
179: ok 1140
179: ok 1141
179: ok 1142
179: ok 1143
179: ok 1144
179: ok 1145
179: ok 1146
179: ok 1147
179: ok 1148
179: ok 1149
179: ok 1150
179: ok 1151
179: ok 1152
179: ok 1153
179: ok 1154
179: ok 1155
179: ok 1156
179: ok 1157
179: ok 1158
179: ok 1159
179: ok 1160
179: ok 1161
179: ok 1162
179: ok 1163
179: ok 1164
179: ok 1165
179: ok 1166
179: ok 1167
179: ok 1168
179: ok 1169
179: ok 1170
179: ok 1171
179: ok 1172
179: ok 1173
179: ok 1174
179: ok 1175
179: ok 1176
179: ok 1177
179: ok 1178
179: ok 1179
179: ok 1180
179: ok 1181
179: ok 1182
179: ok 1183
179: ok 1184
179: ok 1185
179: ok 1186
179: ok 1187
179: ok 1188
179: ok 1189
179: ok 1190
179: ok 1191
179: ok 1192
179: ok 1193
179: ok 1194
179: ok 1195
179: ok 1196
179: ok 1197
179: ok 1198
179: ok 1199
179: ok 1200
179: ok 1201
179: ok 1202
179: ok 1203
179: ok 1204
179: ok 1205
179: ok 1206
179: ok 1207
179: ok 1208
179: ok 1209
179: ok 1210
179: ok 1211
179: ok 1212
179: ok 1213
179: ok 1214
179: ok 1215
179: ok 1216
179: ok 1217
179: ok 1218
179: ok 1219
179: ok 1220
179: ok 1221
179: ok 1222
179: ok 1223
179: ok 1224
179: ok 1225
179: ok 1226
179: ok 1227
179: ok 1228
179: ok 1229
179: ok 1230
179: ok 1231
179: ok 1232
179: ok 1233
179: ok 1234
179: ok 1235
179: ok 1236
179: ok 1237
179: ok 1238
179: ok 1239
179: ok 1240
179: ok 1241
179: ok 1242
179: ok 1243
179: ok 1244
179: ok 1245
179: ok 1246
179: ok 1247
179: ok 1248
179: ok 1249
179: ok 1250
179: ok 1251
179: ok 1252
179: ok 1253
179: ok 1254
179: ok 1255
179: ok 1256
179: ok 1257
179: ok 1258
179: ok 1259
179: ok 1260
179: ok 1261
179: ok 1262
179: ok 1263
179: ok 1264
179: ok 1265
179: ok 1266
179: ok 1267
179: ok 1268
179: ok 1269
179: ok 1270
179: ok 1271
179: ok 1272
179: ok 1273
179: ok 1274
179: ok 1275
179: ok 1276
179: ok 1277
179: ok 1278
179: ok 1279
179: ok 1280
179: ok 1281
179: ok 1282
179: ok 1283
179: ok 1284
179: ok 1285
179: ok 1286
179: ok 1287
179: ok 1288
179: ok 1289
179: ok 1290
179: ok 1291
179: ok 1292
179: ok 1293
179: ok 1294
179: ok 1295
179: ok 1296
179: ok 1297
179: ok 1298
179: ok 1299
179: ok 1300
179: ok 1301
179: ok 1302
179: ok 1303
179: ok 1304
179: ok 1305
179: ok 1306
179: ok 1307
179: ok 1308
179: ok 1309
179: ok 1310
179: ok 1311
179: ok 1312
179: ok 1313
179: ok 1314
179: ok 1315
179: ok 1316
179: ok 1317
179: ok 1318
179: ok 1319
179: ok 1320
179: ok 1321
179: ok 1322
179: ok 1323
179: ok 1324
179: ok 1325
179: ok 1326
179: ok 1327
179: ok 1328
179: ok 1329
179: ok 1330
179: ok 1331
179: ok 1332
179: ok 1333
179: ok 1334
179: ok 1335
179: ok 1336
179: ok 1337
179: ok 1338
179: ok 1339
179: ok 1340
179: ok 1341
179: ok 1342
179: ok 1343
179: ok 1344
179: ok 1345
179: ok 1346
179: ok 1347
179: ok 1348
179: ok 1349
179: ok 1350
179: ok 1351
179: ok 1352
179: ok 1353
179: ok 1354
179: ok 1355
179: ok 1356
179: ok 1357
179: ok 1358
179: ok 1359
179: ok 1360
179: ok 1361
179: ok 1362
179: ok 1363
179: ok 1364
179: ok 1365
179: ok 1366
179: ok 1367
179: ok 1368
179: ok 1369
179: ok 1370
179: ok 1371
179: ok 1372
179: ok 1373
179: ok 1374
179: ok 1375
179: ok 1376
179: ok 1377
179: ok 1378
179: ok 1379
179: ok 1380
179: ok 1381
179: ok 1382
179: ok 1383
179: ok 1384
179: ok 1385
179: ok 1386
179: ok 1387
179: ok 1388
179: ok 1389
179: ok 1390
179: ok 1391
179: ok 1392
179: ok 1393
179: ok 1394
179: ok 1395
179: ok 1396
179: ok 1397
179: ok 1398
179: ok 1399
179: ok 1400
179: ok 1401
179: ok 1402
179: ok 1403
179: ok 1404
179: ok 1405
179: ok 1406
179: ok 1407
179: ok 1408
179: ok 1409
179: ok 1410
179: ok 1411
179: ok 1412
179: ok 1413
179: ok 1414
179: ok 1415
179: ok 1416
179: ok 1417
179: ok 1418
179: ok 1419
179: ok 1420
179: ok 1421
179: ok 1422
179: ok 1423
179: ok 1424
179: ok 1425
179: ok 1426
179: ok 1427
179: ok 1428
179: ok 1429
179: ok 1430
179: ok 1431
179: ok 1432
179: ok 1433
179: ok 1434
179: ok 1435
179: ok 1436
179: ok 1437
179: ok 1438
179: ok 1439
179: ok 1440
179: ok 1441
179: ok 1442
179: ok 1443
179: ok 1444
179: ok 1445
179: ok 1446
179: ok 1447
179: ok 1448
179: ok 1449
179: ok 1450
179: ok 1451
179: ok 1452
179: ok 1453
179: ok 1454
179: ok 1455
179: ok 1456
179: ok 1457
179: ok 1458
179: ok 1459
179: ok 1460
179: ok 1461
179: ok 1462
179: ok 1463
179: ok 1464
179: ok 1465
179: ok 1466
179: ok 1467
179: ok 1468
179: ok 1469
179: ok 1470
179: ok 1471
179: ok 1472
179: ok 1473
179: ok 1474
179: ok 1475
179: ok 1476
179: ok 1477
179: ok 1478
179: ok 1479
179: ok 1480
179: ok 1481
179: ok 1482
179: ok 1483
179: ok 1484
179: ok 1485
179: ok 1486
179: ok 1487
179: ok 1488
179: ok 1489
179: ok 1490
179: ok 1491
179: ok 1492
179: ok 1493
179: ok 1494
179: ok 1495
179: ok 1496
179: ok 1497
179: ok 1498
179: ok 1499
179: ok 1500
179: ok 1501
179: ok 1502
179: ok 1503
179: ok 1504
179: ok 1505
179: ok 1506
179: ok 1507
179: ok 1508
179: ok 1509
179: ok 1510
179: ok 1511
179: ok 1512
179: ok 1513
179: ok 1514
179: ok 1515
179: ok 1516
179: ok 1517
179: ok 1518
179: ok 1519
179: ok 1520
179: ok 1521
179: ok 1522
179: ok 1523
179: ok 1524
179: ok 1525
179: ok 1526
179: ok 1527
179: ok 1528
179: ok 1529
179: ok 1530
179: ok 1531
179: ok 1532
179: ok 1533
179: ok 1534
179: ok 1535
179: ok 1536
179: ok 1537
179: ok 1538
179: ok 1539
179: ok 1540
179: ok 1541
179: ok 1542
179: ok 1543
179: ok 1544
179: ok 1545
179: ok 1546
179: ok 1547
179: ok 1548
179: ok 1549
179: ok 1550
179: ok 1551
179: ok 1552
179: ok 1553
179: ok 1554
179: ok 1555
179: ok 1556
179: ok 1557
179: ok 1558
179: ok 1559
179: ok 1560
179: ok 1561
179: ok 1562
179: ok 1563
179: ok 1564
179: ok 1565
179: ok 1566
179: ok 1567
179: ok 1568
179: ok 1569
179: ok 1570
179: ok 1571
179: ok 1572
179: ok 1573
179: ok 1574
179: ok 1575
179: ok 1576
179: ok 1577
179: ok 1578
179: ok 1579
179: ok 1580
179: ok 1581
179: ok 1582
179: ok 1583
179: ok 1584
179: ok 1585
179: ok 1586
179: ok 1587
179: ok 1588
179: ok 1589
179: ok 1590
179: ok 1591
179: ok 1592
179: ok 1593
179: ok 1594
179: ok 1595
179: ok 1596
179: ok 1597
179: ok 1598
179: ok 1599
179: ok 1600
179: ok 1601
179: ok 1602
179: ok 1603
179: ok 1604
179: ok 1605
179: ok 1606
179: ok 1607
179: ok 1608
179: ok 1609
179: ok 1610
179: ok 1611
179: ok 1612
179: ok 1613
179: ok 1614
179: ok 1615
179: ok 1616
179: ok 1617
179: ok 1618
179: ok 1619
179: ok 1620
179: ok 1621
179: ok 1622
179: ok 1623
179: ok 1624
179: ok 1625
179: ok 1626
179: ok 1627
179: ok 1628
179: ok 1629
179: ok 1630
179: ok 1631
179: ok 1632
179: ok 1633
179: ok 1634
179: ok 1635
179: ok 1636
179: ok 1637
179: ok 1638
179: ok 1639
179: ok 1640
179: ok 1641
179: ok 1642
179: ok 1643
179: ok 1644
179: ok 1645
179: ok 1646
179: ok 1647
179: ok 1648
179: ok 1649
179: ok 1650
179: ok 1651
179: ok 1652
179: ok 1653
179: ok 1654
179: ok 1655
179: ok 1656
179: ok 1657
179: ok 1658
179: ok 1659
179: ok 1660
179: ok 1661
179: ok 1662
179: ok 1663
179: ok 1664
179: ok 1665
179: ok 1666
179: ok 1667
179: ok 1668
179: ok 1669
179: ok 1670
179: ok 1671
179: ok 1672
179: ok 1673
179: ok 1674
179: ok 1675
179: ok 1676
179: ok 1677
179: ok 1678
179: ok 1679
179: ok 1680
179: ok 1681
179: ok 1682
179: ok 1683
179: ok 1684
179: ok 1685
179: ok 1686
179: ok 1687
179: ok 1688
179: ok 1689
179: ok 1690
179: ok 1691
179: ok 1692
179: ok 1693
179: ok 1694
179: ok 1695
179: ok 1696
179: ok 1697
179: ok 1698
179: ok 1699
179: ok 1700
179: ok 1701
179: ok 1702
179: ok 1703
179: ok 1704
179: ok 1705
179: ok 1706
179: ok 1707
179: ok 1708
179: ok 1709
179: ok 1710
179: ok 1711
179: ok 1712
179: ok 1713
179: ok 1714
179: ok 1715
179: ok 1716
179: ok 1717
179: ok 1718
179: ok 1719
179: ok 1720
179: ok 1721
179: ok 1722
179: ok 1723
179: ok 1724
179: ok 1725
179: ok 1726
179: ok 1727
179: ok 1728
179: ok 1729
179: ok 1730
179: ok 1731
179: ok 1732
179: ok 1733
179: ok 1734
179: ok 1735
179: ok 1736
179: ok 1737
179: ok 1738
179: ok 1739
179: ok 1740
179: ok 1741
179: ok 1742
179: ok 1743
179: ok 1744
179: ok 1745
179: ok 1746
179: ok 1747
179: ok 1748
179: ok 1749
179: ok 1750
179: ok 1751
179: ok 1752
179: ok 1753
179: ok 1754
179: ok 1755
179: ok 1756
179: ok 1757
179: ok 1758
179: ok 1759
179: ok 1760
179: ok 1761
179: ok 1762
179: ok 1763
179: ok 1764
179: ok 1765
179: ok 1766
179: ok 1767
179: ok 1768
179: ok 1769
179: ok 1770
179: ok 1771
179: ok 1772
179: ok 1773
179: ok 1774
179: ok 1775
179: ok 1776
179: ok 1777
179: ok 1778
179: ok 1779
179: ok 1780
179: ok 1781
179: ok 1782
179: ok 1783
179: ok 1784
179: ok 1785
179: ok 1786
179: ok 1787
179: ok 1788
179: ok 1789
179: ok 1790
179: ok 1791
179: ok 1792
179: ok 1793
179: ok 1794
179: ok 1795
179: ok 1796
179: ok 1797
179: ok 1798
179: ok 1799
179: ok 1800
179: ok 1801
179: ok 1802
179: ok 1803
179: ok 1804
179: ok 1805
179: ok 1806
179: ok 1807
179: ok 1808
179: ok 1809
179: ok 1810
179: ok 1811
179: ok 1812
179: ok 1813
179: ok 1814
179: ok 1815
179: ok 1816
179: ok 1817
179: ok 1818
179: ok 1819
179: ok 1820
179: ok 1821
179: ok 1822
179: ok 1823
179: ok 1824
179: ok 1825
179: ok 1826
179: ok 1827
179: ok 1828
179: ok 1829
179: ok 1830
179: ok 1831
179: ok 1832
179: ok 1833
179: ok 1834
179: ok 1835
179: ok 1836
179: ok 1837
179: ok 1838
179: ok 1839
179: ok 1840
179: ok 1841
179: ok 1842
179: ok 1843
179: ok 1844
179: ok 1845
179: ok 1846
179: ok 1847
179: ok 1848
179: ok 1849
179: ok 1850
179: ok 1851
179: ok 1852
179: ok 1853
179: ok 1854
179: ok 1855
179: ok 1856
179: ok 1857
179: ok 1858
179: ok 1859
179: ok 1860
179: ok 1861
179: ok 1862
179: ok 1863
179: ok 1864
179: ok 1865
179: ok 1866
179: ok 1867
179: ok 1868
179: ok 1869
179: ok 1870
179: ok 1871
179: ok 1872
179: ok 1873
179: ok 1874
179: ok 1875
179: ok 1876
179: ok 1877
179: ok 1878
179: ok 1879
179: ok 1880
179: ok 1881
179: ok 1882
179: ok 1883
179: ok 1884
179: ok 1885
179: ok 1886
179: ok 1887
179: ok 1888
179: ok 1889
179: ok 1890
179: ok 1891
179: ok 1892
179: ok 1893
179: ok 1894
179: ok 1895
179: ok 1896
179: ok 1897
179: ok 1898
179: ok 1899
179: ok 1900
179: ok 1901
179: ok 1902
179: ok 1903
179: ok 1904
179: ok 1905
179: ok 1906
179: ok 1907
179: ok 1908
179: ok 1909
179: ok 1910
179: ok 1911
179: ok 1912
179: ok 1913
179: ok 1914
179: ok 1915
179: ok 1916
179: ok 1917
179: ok 1918
179: ok 1919
179: ok 1920
179: ok 1921
179: ok 1922
179: ok 1923
179: ok 1924
179: ok 1925
179: ok 1926
179: ok 1927
179: ok 1928
179: ok 1929
179: ok 1930
179: ok 1931
179: ok 1932
179: ok 1933
179: ok 1934
179: ok 1935
179: ok 1936
179: ok 1937
179: ok 1938
179: ok 1939
179: ok 1940
179: ok 1941
179: ok 1942
179: ok 1943
179: ok 1944
179: ok 1945
179: ok 1946
179: ok 1947
179: ok 1948
179: ok 1949
179: ok 1950
179: ok 1951
179: ok 1952
179: ok 1953
179: ok 1954
179: ok 1955
179: ok 1956
179: ok 1957
179: ok 1958
179: ok 1959
179: ok 1960
179: ok 1961
179: ok 1962
179: ok 1963
179: ok 1964
179: ok 1965
179: ok 1966
179: ok 1967
179: ok 1968
179: ok 1969
179: ok 1970
179: ok 1971
179: ok 1972
179: ok 1973
179: ok 1974
179: ok 1975
179: ok 1976
179: ok 1977
179: ok 1978
179: ok 1979
179: ok 1980
179: ok 1981
179: ok 1982
179: ok 1983
179: ok 1984
179: ok 1985
179: ok 1986
179: ok 1987
179: ok 1988
179: ok 1989
179: ok 1990
179: ok 1991
179: ok 1992
179: ok 1993
179: ok 1994
179: ok 1995
179: ok 1996
179: ok 1997
179: ok 1998
179: ok 1999
179: ok 2000
179: ok 2001
179: ok 2002
179: ok 2003
179: ok 2004
179: ok 2005
179: ok 2006
179: ok 2007
179: ok 2008
179: ok 2009
179: ok 2010
179: ok 2011
179: ok 2012
179: ok 2013
179: ok 2014
179: ok 2015
179: ok 2016
179: ok 2017
179: ok 2018
179: ok 2019
179: ok 2020
179: ok 2021
179: ok 2022
179: ok 2023
179: ok 2024
179: ok 2025
179: ok 2026
179: ok 2027
179: ok 2028
179: ok 2029
179: ok 2030
179: ok 2031
179: ok 2032
179: ok 2033
179: ok 2034
179: ok 2035
179: ok 2036
179: ok 2037
179: ok 2038
179: ok 2039
179: ok 2040
179: ok 2041
179: ok 2042
179: ok 2043
179: ok 2044
179: ok 2045
179: ok 2046
179: ok 2047
179: ok 2048
179: ok 2049
179: ok 2050
179: ok 2051
179: ok 2052
179: ok 2053
179: ok 2054
179: ok 2055
179: ok 2056
179: ok 2057
179: ok 2058
179: ok 2059
179: ok 2060
179: ok 2061
179: ok 2062
179: ok 2063
179: ok 2064
179: ok 2065
179: ok 2066
179: ok 2067
179: ok 2068
179: ok 2069
179: ok 2070
179: ok 2071
179: ok 2072
179: ok 2073
179: ok 2074
179: ok 2075
179: ok 2076
179: ok 2077
179: ok 2078
179: ok 2079
179: ok 2080
179: ok 2081
179: ok 2082
179: ok 2083
179: ok 2084
179: ok 2085
179: ok 2086
179: ok 2087
179: ok 2088
179: ok 2089
179: ok 2090
179: ok 2091
179: ok 2092
179: ok 2093
179: ok 2094
179: ok 2095
179: ok 2096
179: ok 2097
179: ok 2098
179: ok 2099
179: ok 2100
179: ok 2101
179: ok 2102
179: ok 2103
179: ok 2104
179: ok 2105
179: ok 2106
179: ok 2107
179: ok 2108
179: ok 2109
179: ok 2110
179: ok 2111
179: ok 2112
179: ok 2113
179: ok 2114
179: ok 2115
179: ok 2116
179: ok 2117
179: ok 2118
179: ok 2119
179: ok 2120
179: ok 2121
179: ok 2122
179: ok 2123
179: ok 2124
179: ok 2125
179: ok 2126
179: ok 2127
179: ok 2128
179: ok 2129
179: ok 2130
179: ok 2131
179: ok 2132
179: ok 2133
179: ok 2134
179: ok 2135
179: ok 2136
179: ok 2137
179: ok 2138
179: ok 2139
179: ok 2140
179: ok 2141
179: ok 2142
179: ok 2143
179: ok 2144
179: ok 2145
179: ok 2146
179: ok 2147
179: ok 2148
179: ok 2149
179: ok 2150
179: ok 2151
179: ok 2152
179: ok 2153
179: ok 2154
179: ok 2155
179: ok 2156
179: ok 2157
179: ok 2158
179: ok 2159
179: ok 2160
179: ok 2161
179: ok 2162
179: ok 2163
179: ok 2164
179: ok 2165
179: ok 2166
179: ok 2167
179: ok 2168
179: ok 2169
179: ok 2170
179: ok 2171
179: ok 2172
179: ok 2173
179: ok 2174
179: ok 2175
179: ok 2176
179: ok 2177
179: ok 2178
179: ok 2179
179: ok 2180
179: ok 2181
179: ok 2182
179: ok 2183
179: ok 2184
179: ok 2185
179: ok 2186
179: ok 2187
179: ok 2188
179: ok 2189
179: ok 2190
179: ok 2191
179: ok 2192
179: ok 2193
179: ok 2194
179: ok 2195
179: ok 2196
179: ok 2197
179: ok 2198
179: ok 2199
179: ok 2200
179: ok 2201
179: ok 2202
179: ok 2203
179: ok 2204
179: ok 2205
179: ok 2206
179: ok 2207
179: ok 2208
179: ok 2209
179: ok 2210
179: ok 2211
179: ok 2212
179: ok 2213
179: ok 2214
179: ok 2215
179: ok 2216
179: ok 2217
179: ok 2218
179: ok 2219
179: ok 2220
179: ok 2221
179: ok 2222
179: ok 2223
179: ok 2224
179: ok 2225
179: ok 2226
179: ok 2227
179: ok 2228
179: ok 2229
179: ok 2230
179: ok 2231
179: ok 2232
179: ok 2233
179: ok 2234
179: ok 2235
179: ok 2236
179: ok 2237
179: ok 2238
179: ok 2239
179: ok 2240
179: ok 2241
179: ok 2242
179: ok 2243
179: ok 2244
179: ok 2245
179: ok 2246
179: ok 2247
179: ok 2248
179: ok 2249
179: ok 2250
179: ok 2251
179: ok 2252
179: ok 2253
179: ok 2254
179: ok 2255
179: ok 2256
179: ok 2257
179: ok 2258
179: ok 2259
179: ok 2260
179: ok 2261
179: ok 2262
179: ok 2263
179: ok 2264
179: ok 2265
179: ok 2266
179: ok 2267
179: ok 2268
179: ok 2269
179: ok 2270
179: ok 2271
179: ok 2272
179: ok 2273
179: ok 2274
179: ok 2275
179: ok 2276
179: ok 2277
179: ok 2278
179: ok 2279
179: ok 2280
179: ok 2281
179: ok 2282
179: ok 2283
179: ok 2284
179: ok 2285
179: ok 2286
179: ok 2287
179: ok 2288
179: ok 2289
179: ok 2290
179: ok 2291
179: ok 2292
179: ok 2293
179: ok 2294
179: ok 2295
179: ok 2296
179: ok 2297
179: ok 2298
179: ok 2299
179: ok 2300
179: ok 2301
179: ok 2302
179: ok 2303
179: ok 2304
179: ok 2305
179: ok 2306
179: ok 2307
179: ok 2308
179: ok 2309
179: ok 2310
179: ok 2311
179: ok 2312
179: ok 2313
179: ok 2314
179: ok 2315
179: ok 2316
179: ok 2317
179: ok 2318
179: ok 2319
179: ok 2320
179: ok 2321
179: ok 2322
179: ok 2323
179: ok 2324
179: ok 2325
179: ok 2326
179: ok 2327
179: ok 2328
179: ok 2329
179: ok 2330
179: ok 2331
179: ok 2332
179: ok 2333
179: ok 2334
179: ok 2335
179: ok 2336
179: ok 2337
179: ok 2338
179: ok 2339
179: ok 2340
179: ok 2341
179: ok 2342
179: ok 2343
179: ok 2344
179: ok 2345
179: ok 2346
179: ok 2347
179: ok 2348
179: ok 2349
179: ok 2350
179: ok 2351
179: ok 2352
179: ok 2353
179: ok 2354
179: ok 2355
179: ok 2356
179: ok 2357
179: ok 2358
179: ok 2359
179: ok 2360
179: ok 2361
179: ok 2362
179: ok 2363
179: ok 2364
179: ok 2365
179: ok 2366
179: ok 2367
179: ok 2368
179: ok 2369
179: ok 2370
179: ok 2371
179: ok 2372
179: ok 2373
179: ok 2374
179: ok 2375
179: ok 2376
179: ok 2377
179: ok 2378
179: ok 2379
179: ok 2380
179: ok 2381
179: ok 2382
179: ok 2383
179: ok 2384
179: ok 2385
179: ok 2386
179: ok 2387
179: ok 2388
179: ok 2389
179: ok 2390
179: ok 2391
179: ok 2392
179: ok 2393
179: ok 2394
179: ok 2395
179: ok 2396
179: ok 2397
179: ok 2398
179: ok 2399
179: ok 2400
179: ok 2401
179: ok 2402
179: ok 2403
179: ok 2404
179: ok 2405
179: ok 2406
179: ok 2407
179: ok 2408
179: ok 2409
179: ok 2410
179: ok 2411
179: ok 2412
179: ok 2413
179: ok 2414
179: ok 2415
179: ok 2416
179: ok 2417
179: ok 2418
179: ok 2419
179: ok 2420
179: ok 2421
179: ok 2422
179: ok 2423
179: ok 2424
179: ok 2425
179: ok 2426
179: ok 2427
179: ok 2428
179: ok 2429
179: ok 2430
179: ok 2431
179: ok 2432
179: ok 2433
179: ok 2434
179: ok 2435
179: ok 2436
179: ok 2437
179: ok 2438
179: ok 2439
179: ok 2440
179: ok 2441
179: ok 2442
179: ok 2443
179: ok 2444
179: ok 2445
179: ok 2446
179: ok 2447
179: ok 2448
179: ok 2449
179: ok 2450
179: ok 2451
179: ok 2452
179: ok 2453
179: ok 2454
179: ok 2455
179: ok 2456
179: ok 2457
179: ok 2458
179: ok 2459
179: ok 2460
179: ok 2461
179: ok 2462
179: ok 2463
179: ok 2464
179: ok 2465
179: ok 2466
179: ok 2467
179: ok 2468
179: ok 2469
179: ok 2470
179: ok 2471
179: ok 2472
179: ok 2473
179: ok 2474
179: ok 2475
179: ok 2476
179: ok 2477
179: ok 2478
179: ok 2479
179: ok 2480
179: ok 2481
179: ok 2482
179: ok 2483
179: ok 2484
179: ok 2485
179: ok 2486
179: ok 2487
179: ok 2488
179: ok 2489
179: ok 2490
179: ok 2491
179: ok 2492
179: ok 2493
179: ok 2494
179: ok 2495
179: ok 2496
179: ok 2497
179: ok 2498
179: ok 2499
179: ok 2500
179: ok 2501
179: ok 2502
179: ok 2503
179: ok 2504
179: ok 2505
179: ok 2506
179: ok 2507
179: ok 2508
179: ok 2509
179: ok 2510
179: ok 2511
179: ok 2512
179: ok 2513
179: ok 2514
179: ok 2515
179: ok 2516
179: ok 2517
179: ok 2518
179: ok 2519
179: ok 2520
179: ok 2521
179: ok 2522
179: ok 2523
179: ok 2524
179: ok 2525
179: ok 2526
179: ok 2527
179: ok 2528
179: ok 2529
179: ok 2530
179: ok 2531
179: ok 2532
179: ok 2533
179: ok 2534
179: ok 2535
179: ok 2536
179: ok 2537
179: ok 2538
179: ok 2539
179: ok 2540
179: ok 2541
179: ok 2542
179: ok 2543
179: ok 2544
179: ok 2545
179: ok 2546
179: ok 2547
179: ok 2548
179: ok 2549
179: ok 2550
179: ok 2551
179: ok 2552
179: ok 2553
179: ok 2554
179: ok 2555
179: ok 2556
179: ok 2557
179: ok 2558
179: ok 2559
179: ok 2560
179: ok 2561
179: ok 2562
179: ok 2563
179: ok 2564
179: ok 2565
179: ok 2566
179: ok 2567
179: ok 2568
179: ok 2569
179: ok 2570
179: ok 2571
179: ok 2572
179: ok 2573
179: ok 2574
179: ok 2575
179: ok 2576
179: ok 2577
179: ok 2578
179: ok 2579
179: ok 2580
179: ok 2581
179: ok 2582
179: ok 2583
179: ok 2584
179: ok 2585
179: ok 2586
179: ok 2587
179: ok 2588
179: ok 2589
179: ok 2590
179: ok 2591
179: ok 2592
179: ok 2593
179: ok 2594
179: ok 2595
179: ok 2596
179: ok 2597
179: ok 2598
179: ok 2599
179: ok 2600
179: ok 2601
179: ok 2602
179: ok 2603
179: ok 2604
179: ok 2605
179: ok 2606
179: ok 2607
179: ok 2608
179: ok 2609
179: ok 2610
179: ok 2611
179: ok 2612
179: ok 2613
179: ok 2614
179: ok 2615
179: ok 2616
179: ok 2617
179: ok 2618
179: ok 2619
179: ok 2620
179: ok 2621
179: ok 2622
179: ok 2623
179: ok 2624
179: ok 2625
179: ok 2626
179: ok 2627
179: ok 2628
179: ok 2629
179: ok 2630
179: ok 2631
179: ok 2632
179: ok 2633
179: ok 2634
179: ok 2635
179: ok 2636
179: ok 2637
179: ok 2638
179: ok 2639
179: ok 2640
179: ok 2641
179: ok 2642
179: ok 2643
179: ok 2644
179: ok 2645
179: ok 2646
179: ok 2647
179: ok 2648
179: ok 2649
179: ok 2650
179: ok 2651
179: ok 2652
179: ok 2653
179: ok 2654
179: ok 2655
179: ok 2656
179: ok 2657
179: ok 2658
179: ok 2659
179: ok 2660
179: ok 2661
179: ok 2662
179: ok 2663
179: ok 2664
179: ok 2665
179: ok 2666
179: ok 2667
179: ok 2668
179: ok 2669
179: ok 2670
179: ok 2671
179: ok 2672
179: ok 2673
179: ok 2674
179: ok 2675
179: ok 2676
179: ok 2677
179: ok 2678
179: ok 2679
179: ok 2680
179: ok 2681
179: ok 2682
179: ok 2683
179: ok 2684
179: ok 2685
179: ok 2686
179: ok 2687
179: ok 2688
179: ok 2689
179: ok 2690
179: ok 2691
179: ok 2692
179: ok 2693
179: ok 2694
179: ok 2695
179: ok 2696
179: ok 2697
179: ok 2698
179: ok 2699
179: ok 2700
179: ok 2701
179: ok 2702
179: ok 2703
179: ok 2704
179: ok 2705
179: ok 2706
179: ok 2707
179: ok 2708
179: ok 2709
179: ok 2710
179: ok 2711
179: ok 2712
179: ok 2713
179: ok 2714
179: ok 2715
179: ok 2716
179: ok 2717
179: ok 2718
179: ok 2719
179: ok 2720
179: ok 2721
179: ok 2722
179: ok 2723
179: ok 2724
179: ok 2725
179: ok 2726
179: ok 2727
179: ok 2728
179: ok 2729
179: ok 2730
179: ok 2731
179: ok 2732
179: ok 2733
179: ok 2734
179: ok 2735
179: ok 2736
179: ok 2737
179: ok 2738
179: ok 2739
179: ok 2740
179: ok 2741
179: ok 2742
179: ok 2743
179: ok 2744
179: ok 2745
179: ok 2746
179: ok 2747
179: ok 2748
179: ok 2749
179: ok 2750
179: ok 2751
179: ok 2752
179: ok 2753
179: ok 2754
179: ok 2755
179: ok 2756
179: ok 2757
179: ok 2758
179: ok 2759
179: ok 2760
179: ok 2761
179: ok 2762
179: ok 2763
179: ok 2764
179: ok 2765
179: ok 2766
179: ok 2767
179: ok 2768
179: ok 2769
179: ok 2770
179: ok 2771
179: ok 2772
179: ok 2773
179: ok 2774
179: ok 2775
179: ok 2776
179: ok 2777
179: ok 2778
179: ok 2779
179: ok 2780
179: ok 2781
179: ok 2782
179: ok 2783
179: ok 2784
179: ok 2785
179: ok 2786
179: ok 2787
179: ok 2788
179: ok 2789
179: ok 2790
179: ok 2791
179: ok 2792
179: ok 2793
179: ok 2794
179: ok 2795
179: ok 2796
179: ok 2797
179: ok 2798
179: ok 2799
179: ok 2800
179: ok 2801
179: ok 2802
179: ok 2803
179: ok 2804
179: ok 2805
179: ok 2806
179: ok 2807
179: ok 2808
179: ok 2809
179: ok 2810
179: ok 2811
179: ok 2812
179: ok 2813
179: ok 2814
179: ok 2815
179: ok 2816
179: ok 2817
179: ok 2818
179: ok 2819
179: ok 2820
179: ok 2821
179: ok 2822
179: ok 2823
179: ok 2824
179: ok 2825
179: ok 2826
179: ok 2827
179: ok 2828
179: ok 2829
179: ok 2830
179: ok 2831
179: ok 2832
179: ok 2833
179: ok 2834
179: ok 2835
179: ok 2836
179: ok 2837
179: ok 2838
179: ok 2839
179: ok 2840
179: ok 2841
179: ok 2842
179: ok 2843
179: ok 2844
179: ok 2845
179: ok 2846
179: ok 2847
179: ok 2848
179: ok 2849
179: ok 2850
179: ok 2851
179: ok 2852
179: ok 2853
179: ok 2854
179: ok 2855
179: ok 2856
179: ok 2857
179: ok 2858
179: ok 2859
179: ok 2860
179: ok 2861
179: ok 2862
179: ok 2863
179: ok 2864
179: ok 2865
179: ok 2866
179: ok 2867
179: ok 2868
179: ok 2869
179: ok 2870
179: ok 2871
179: ok 2872
179: ok 2873
179: ok 2874
179: ok 2875
179: ok 2876
179: ok 2877
179: ok 2878
179: ok 2879
179: ok 2880
179: ok 2881
179: ok 2882
179: ok 2883
179: ok 2884
179: ok 2885
179: ok 2886
179: ok 2887
179: ok 2888
179: ok 2889
179: ok 2890
179: ok 2891
179: ok 2892
179: ok 2893
179: ok 2894
179: ok 2895
179: ok 2896
179: ok 2897
179: ok 2898
179: ok 2899
179: ok 2900
179: ok 2901
179: ok 2902
179: ok 2903
179: ok 2904
179: ok 2905
179: ok 2906
179: ok 2907
179: ok 2908
179: ok 2909
179: ok 2910
179: ok 2911
179: ok 2912
179: ok 2913
179: ok 2914
179: ok 2915
179: ok 2916
179: ok 2917
179: ok 2918
179: ok 2919
179: ok 2920
179: ok 2921
179: ok 2922
179: ok 2923
179: ok 2924
179: ok 2925
179: ok 2926
179: ok 2927
179: ok 2928
179: ok 2929
179: ok 2930
179: ok 2931
179: ok 2932
179: ok 2933
179: ok 2934
179: ok 2935
179: ok 2936
179: ok 2937
179: ok 2938
179: ok 2939
179: ok 2940
179: ok 2941
179: ok 2942
179: ok 2943
179: ok 2944
179: ok 2945
179: ok 2946
179: ok 2947
179: ok 2948
179: ok 2949
179: ok 2950
179: ok 2951
179: ok 2952
179: ok 2953
179: ok 2954
179: ok 2955
179: ok 2956
179: ok 2957
179: ok 2958
179: ok 2959
179: ok 2960
179: ok 2961
179: ok 2962
179: ok 2963
179: ok 2964
179: ok 2965
179: ok 2966
179: ok 2967
179: ok 2968
179: ok 2969
179: ok 2970
179: ok 2971
179: ok 2972
179: ok 2973
179: ok 2974
179: ok 2975
179: ok 2976
179: ok 2977
179: ok 2978
179: ok 2979
179: ok 2980
179: ok 2981
179: ok 2982
179: ok 2983
179: ok 2984
179: ok 2985
179: ok 2986
179: ok 2987
179: ok 2988
179: ok 2989
179: ok 2990
179: ok 2991
179: ok 2992
179: ok 2993
179: ok 2994
179: ok 2995
179: ok 2996
179: ok 2997
179: ok 2998
179: ok 2999
179: ok 3000
179: ok 3001
179: ok 3002
179: ok 3003
179: ok 3004
179: ok 3005
179: ok 3006
179: ok 3007
179: ok 3008
179: ok 3009
179: ok 3010
179: ok 3011
179: ok 3012
179: ok 3013
179: ok 3014
179: ok 3015
179: ok 3016
179: ok 3017
179: ok 3018
179: ok 3019
179: ok 3020
179: ok 3021
179: ok 3022
179: ok 3023
179: ok 3024
179: ok 3025
179: ok 3026
179: ok 3027
179: ok 3028
179: ok 3029
179: ok 3030
179: ok 3031
179: ok 3032
179: ok 3033
179: ok 3034
179: ok 3035
179: ok 3036
179: ok 3037
179: ok 3038
179: ok 3039
179: ok 3040
179: ok 3041
179: ok 3042
179: ok 3043
179: ok 3044
179: ok 3045
179: ok 3046
179: ok 3047
179: ok 3048
179: ok 3049
179: ok 3050
179: ok 3051
179: ok 3052
179: ok 3053
179: ok 3054
179: ok 3055
179: ok 3056
179: ok 3057
179: ok 3058
179: ok 3059
179: ok 3060
179: ok 3061
179: ok 3062
179: ok 3063
179: ok 3064
179: ok 3065
179: ok 3066
179: ok 3067
179: ok 3068
179: ok 3069
179: ok 3070
179: ok 3071
179: ok 3072
179: ok 3073
179: ok 3074
179: ok 3075
179: ok 3076
179: ok 3077
179: ok 3078
179: ok 3079
179: ok 3080
179: ok 3081
179: ok 3082
179: ok 3083
179: ok 3084
179: ok 3085
179: ok 3086
179: ok 3087
179: ok 3088
179: ok 3089
179: ok 3090
179: ok 3091
179: ok 3092
179: ok 3093
179: ok 3094
179: ok 3095
179: ok 3096
179: ok 3097
179: ok 3098
179: ok 3099
179: ok 3100
179: ok 3101
179: ok 3102
179: ok 3103
179: ok 3104
179: ok 3105
179: ok 3106
179: ok 3107
179: ok 3108
179: ok 3109
179: ok 3110
179: ok 3111
179: ok 3112
179: ok 3113
179: ok 3114
179: ok 3115
179: ok 3116
179: ok 3117
179: ok 3118
179: ok 3119
179: ok 3120
179: ok 3121
179: ok 3122
179: ok 3123
179: ok 3124
179: ok 3125
179: ok 3126
179: ok 3127
179: ok 3128
179: ok 3129
179: ok 3130
179: ok 3131
179: ok 3132
179: ok 3133
179: ok 3134
179: ok 3135
179: ok 3136
179: ok 3137
179: ok 3138
179: ok 3139
179: ok 3140
179: ok 3141
179: ok 3142
179: ok 3143
179: ok 3144
179: ok 3145
179: ok 3146
179: ok 3147
179: ok 3148
179: ok 3149
179: ok 3150
179: ok 3151
179: ok 3152
179: ok 3153
179: ok 3154
179: ok 3155
179: ok 3156
179: ok 3157
179: ok 3158
179: ok 3159
179: ok 3160
179: ok 3161
179: ok 3162
179: ok 3163
179: ok 3164
179: ok 3165
179: ok 3166
179: ok 3167
179: ok 3168
179: ok 3169
179: ok 3170
179: ok 3171
179: ok 3172
179: ok 3173
179: ok 3174
179: ok 3175
179: ok 3176
179: ok 3177
179: ok 3178
179: ok 3179
179: ok 3180
179: ok 3181
179: ok 3182
179: ok 3183
179: ok 3184
179: ok 3185
179: ok 3186
179: ok 3187
179: ok 3188
179: ok 3189
179: ok 3190
179: ok 3191
179: ok 3192
179: ok 3193
179: ok 3194
179: ok 3195
179: ok 3196
179: ok 3197
179: ok 3198
179: ok 3199
179: ok 3200
179: ok 3201
179: ok 3202
179: ok 3203
179: ok 3204
179: ok 3205
179: ok 3206
179: ok 3207
179: ok 3208
179: ok 3209
179: ok 3210
179: ok 3211
179: ok 3212
179: ok 3213
179: ok 3214
179: ok 3215
179: ok 3216
179: ok 3217
179: ok 3218
179: ok 3219
179: ok 3220
179: ok 3221
179: ok 3222
179: ok 3223
179: ok 3224
179: ok 3225
179: ok 3226
179: ok 3227
179: ok 3228
179: ok 3229
179: ok 3230
179: ok 3231
179: ok 3232
179: ok 3233
179: ok 3234
179: ok 3235
179: ok 3236
179: ok 3237
179: ok 3238
179: ok 3239
179: ok 3240
179: ok 3241
179: ok 3242
179: ok 3243
179: ok 3244
179: ok 3245
179: ok 3246
179: ok 3247
179: ok 3248
179: ok 3249
179: ok 3250
179: ok 3251
179: ok 3252
179: ok 3253
179: ok 3254
179: ok 3255
179: ok 3256
179: ok 3257
179: ok 3258
179: ok 3259
179: ok 3260
179: ok 3261
179: ok 3262
179: ok 3263
179: ok 3264
179: ok 3265
179: ok 3266
179: ok 3267
179: ok 3268
179: ok 3269
179: ok 3270
179: ok 3271
179: ok 3272
179: ok 3273
179: ok 3274
179: ok 3275
179: ok 3276
179: ok 3277
179: ok 3278
179: ok 3279
179: ok 3280
179: ok 3281
179: ok 3282
179: ok 3283
179: ok 3284
179: ok 3285
179: ok 3286
179: ok 3287
179: ok 3288
179: ok 3289
179: ok 3290
179: ok 3291
179: ok 3292
179: ok 3293
179: ok 3294
179: ok 3295
179: ok 3296
179: ok 3297
179: ok 3298
179: ok 3299
179: ok 3300
179: ok 3301
179: ok 3302
179: ok 3303
179: ok 3304
179: ok 3305
179: ok 3306
179: ok 3307
179: ok 3308
179: ok 3309
179: ok 3310
179: ok 3311
179: ok 3312
179: ok 3313
179: ok 3314
179: ok 3315
179: ok 3316
179: ok 3317
179: ok 3318
179: ok 3319
179: ok 3320
179: ok 3321
179: ok 3322
179: ok 3323
179: ok 3324
179: ok 3325
179: ok 3326
179: ok 3327
179: ok 3328
179: ok 3329
179: ok 3330
179: ok 3331
179: ok 3332
179: ok 3333
179: ok 3334
179: ok 3335
179: ok 3336
179: ok 3337
179: ok 3338
179: ok 3339
179: ok 3340
179: ok 3341
179: ok 3342
179: ok 3343
179: ok 3344
179: ok 3345
179: ok 3346
179: ok 3347
179: ok 3348
179: ok 3349
179: ok 3350
179: ok 3351
179: ok 3352
179: ok 3353
179: ok 3354
179: ok 3355
179: ok 3356
179: ok 3357
179: ok 3358
179: ok 3359
179: ok 3360
179: ok 3361
179: ok 3362
179: ok 3363
179: ok 3364
179: ok 3365
179: ok 3366
179: ok 3367
179: ok 3368
179: ok 3369
179: ok 3370
179: ok 3371
179: ok 3372
179: ok 3373
179: ok 3374
179: ok 3375
179: ok 3376
179: ok 3377
179: ok 3378
179: ok 3379
179: ok 3380
179: ok 3381
179: ok 3382
179: ok 3383
179: ok 3384
179: ok 3385
179: ok 3386
179: ok 3387
179: ok 3388
179: ok 3389
179: ok 3390
179: ok 3391
179: ok 3392
179: ok 3393
179: ok 3394
179: ok 3395
179: ok 3396
179: ok 3397
179: ok 3398
179: ok 3399
179: ok 3400
179: ok 3401
179: ok 3402
179: ok 3403
179: ok 3404
179: ok 3405
179: ok 3406
179: ok 3407
179: ok 3408
179: ok 3409
179: ok 3410
179: ok 3411
179: ok 3412
179: ok 3413
179: ok 3414
179: ok 3415
179: ok 3416
179: ok 3417
179: ok 3418
179: ok 3419
179: ok 3420
179: ok 3421
179: ok 3422
179: ok 3423
179: ok 3424
179: ok 3425
179: ok 3426
179: ok 3427
179: ok 3428
179: ok 3429
179: ok 3430
179: ok 3431
179: ok 3432
179: ok 3433
179: ok 3434
179: ok 3435
179: ok 3436
179: ok 3437
179: ok 3438
179: ok 3439
179: ok 3440
179: ok 3441
179: ok 3442
179: ok 3443
179: ok 3444
179: ok 3445
179: ok 3446
179: ok 3447
179: ok 3448
179: ok 3449
179: ok 3450
179: ok 3451
179: ok 3452
179: ok 3453
179: ok 3454
179: ok 3455
179: ok 3456
179: ok 3457
179: ok 3458
179: ok 3459
179: ok 3460
179: ok 3461
179: ok 3462
179: ok 3463
179: ok 3464
179: ok 3465
179: ok 3466
179: ok 3467
179: ok 3468
179: ok 3469
179: ok 3470
179: ok 3471
179: ok 3472
179: ok 3473
179: ok 3474
179: ok 3475
179: ok 3476
179: ok 3477
179: ok 3478
179: ok 3479
179: ok 3480
179: ok 3481
179: ok 3482
179: ok 3483
179: ok 3484
179: ok 3485
179: ok 3486
179: ok 3487
179: ok 3488
179: ok 3489
179: ok 3490
179: ok 3491
179: ok 3492
179: ok 3493
179: ok 3494
179: ok 3495
179: ok 3496
179: ok 3497
179: ok 3498
179: ok 3499
179: ok 3500
179: ok 3501
179: ok 3502
179: ok 3503
179: ok 3504
179: ok 3505
179: ok 3506
179: ok 3507
179: ok 3508
179: ok 3509
179: ok 3510
179: ok 3511
179: ok 3512
179: ok 3513
179: ok 3514
179: ok 3515
179: ok 3516
179: ok 3517
179: ok 3518
179: ok 3519
179: ok 3520
179: ok 3521
179: ok 3522
179: ok 3523
179: ok 3524
179: ok 3525
179: ok 3526
179: ok 3527
179: ok 3528
179: ok 3529
179: ok 3530
179: ok 3531
179: ok 3532
179: ok 3533
179: ok 3534
179: ok 3535
179: ok 3536
179: ok 3537
179: ok 3538
179: ok 3539
179: ok 3540
179: ok 3541
179: ok 3542
179: ok 3543
179: ok 3544
179: ok 3545
179: ok 3546
179: ok 3547
179: ok 3548
179: ok 3549
179: ok 3550
179: ok 3551
179: ok 3552
179: ok 3553
179: ok 3554
179: ok 3555
179: ok 3556
179: ok 3557
179: ok 3558
179: ok 3559
179: ok 3560
179: ok 3561
179: ok 3562
179: ok 3563
179: ok 3564
179: ok 3565
179: ok 3566
179: ok 3567
179: ok 3568
179: ok 3569
179: ok 3570
179: ok 3571
179: ok 3572
179: ok 3573
179: ok 3574
179: ok 3575
179: ok 3576
179: ok 3577
179: ok 3578
179: ok 3579
179: ok 3580
179: ok 3581
179: ok 3582
179: ok 3583
179: ok 3584
179: ok 3585
179: ok 3586
179: ok 3587
179: ok 3588
179: ok 3589
179: ok 3590
179: ok 3591
179: ok 3592
179: ok 3593
179: ok 3594
179: ok 3595
179: ok 3596
179: ok 3597
179: ok 3598
179: ok 3599
179: ok 3600
179: ok 3601
179: ok 3602
179: ok 3603
179: ok 3604
179: ok 3605
179: ok 3606
179: ok 3607
179: ok 3608
179: ok 3609
179: ok 3610
179: ok 3611
179: ok 3612
179: ok 3613
179: ok 3614
179: ok 3615
179: ok 3616
179: ok 3617
179: ok 3618
179: ok 3619
179: ok 3620
179: ok 3621
179: ok 3622
179: ok 3623
179: ok 3624
179: ok 3625
179: ok 3626
179: ok 3627
179: ok 3628
179: ok 3629
179: ok 3630
179: ok 3631
179: ok 3632
179: ok 3633
179: ok 3634
179: ok 3635
179: ok 3636
179: ok 3637
179: ok 3638
179: ok 3639
179: ok 3640
179: ok 3641
179: ok 3642
179: ok 3643
179: ok 3644
179: ok 3645
179: ok 3646
179: ok 3647
179: ok 3648
179: ok 3649
179: ok 3650
179: ok 3651
179: ok 3652
179: ok 3653
179: ok 3654
179: ok 3655
179: ok 3656
179: ok 3657
179: ok 3658
179: ok 3659
179: ok 3660
179: ok 3661
179: ok 3662
179: ok 3663
179: ok 3664
179: ok 3665
179: ok 3666
179: ok 3667
179: ok 3668
179: ok 3669
179: ok 3670
179: ok 3671
179: ok 3672
179: ok 3673
179: ok 3674
179: ok 3675
179: ok 3676
179: ok 3677
179: ok 3678
179: ok 3679
179: ok 3680
179: ok 3681
179: ok 3682
179: ok 3683
179: ok 3684
179: ok 3685
179: ok 3686
179: ok 3687
179: ok 3688
179: ok 3689
179: ok 3690
179: ok 3691
179: ok 3692
179: ok 3693
179: ok 3694
179: ok 3695
179: ok 3696
179: ok 3697
179: ok 3698
179: ok 3699
179: ok 3700
179: ok 3701
179: ok 3702
179: ok 3703
179: ok 3704
179: ok 3705
179: ok 3706
179: ok 3707
179: ok 3708
179: ok 3709
179: ok 3710
179: ok 3711
179: ok 3712
179: ok 3713
179: ok 3714
179: ok 3715
179: ok 3716
179: ok 3717
179: ok 3718
179: ok 3719
179: ok 3720
179: ok 3721
179: ok 3722
179: ok 3723
179: ok 3724
179: ok 3725
179: ok 3726
179: ok 3727
179: ok 3728
179: ok 3729
179: ok 3730
179: ok 3731
179: ok 3732
179: ok 3733
179: ok 3734
179: ok 3735
179: ok 3736
179: ok 3737
179: ok 3738
179: ok 3739
179: ok 3740
179: ok 3741
179: ok 3742
179: ok 3743
179: ok 3744
179: ok 3745
179: ok 3746
179: ok 3747
179: ok 3748
179: ok 3749
179: ok 3750
179: ok 3751
179: ok 3752
179: ok 3753
179: ok 3754
179: ok 3755
179: ok 3756
179: ok 3757
179: ok 3758
179: ok 3759
179: ok 3760
179: ok 3761
179: ok 3762
179: ok 3763
179: ok 3764
179: ok 3765
179: ok 3766
179: ok 3767
179: ok 3768
179: ok 3769
179: ok 3770
179: ok 3771
179: ok 3772
179: ok 3773
179: ok 3774
179: ok 3775
179: ok 3776
179: ok 3777
179: ok 3778
179: ok 3779
179: ok 3780
179: ok 3781
179: ok 3782
179: ok 3783
179: ok 3784
179: ok 3785
179: ok 3786
179: ok 3787
179: ok 3788
179: ok 3789
179: ok 3790
179: ok 3791
179: ok 3792
179: ok 3793
179: ok 3794
179: ok 3795
179: ok 3796
179: ok 3797
179: ok 3798
179: ok 3799
179: ok 3800
179: ok 3801
179: ok 3802
179: ok 3803
179: ok 3804
179: ok 3805
179: ok 3806
179: ok 3807
179: ok 3808
179: ok 3809
179: ok 3810
179: ok 3811
179: ok 3812
179: ok 3813
179: ok 3814
179: ok 3815
179: ok 3816
179: ok 3817
179: ok 3818
179: ok 3819
179: ok 3820
179: ok 3821
179: ok 3822
179: ok 3823
179: ok 3824
179: ok 3825
179: ok 3826
179: ok 3827
179: ok 3828
179: ok 3829
179: ok 3830
179: ok 3831
179: ok 3832
179: ok 3833
179: ok 3834
179: ok 3835
179: ok 3836
179: ok 3837
179: ok 3838
179: ok 3839
179: ok 3840
179: ok 3841
179: ok 3842
179: ok 3843
179: ok 3844
179: ok 3845
179: ok 3846
179: ok 3847
179: ok 3848
179: ok 3849
179: ok 3850
179: ok 3851
179: ok 3852
179: ok 3853
179: ok 3854
179: ok 3855
179: ok 3856
179: ok 3857
179: ok 3858
179: ok 3859
179: ok 3860
179: ok 3861
179: ok 3862
179: ok 3863
179: ok 3864
179: ok 3865
179: ok 3866
179: ok 3867
179: ok 3868
179: ok 3869
179: ok 3870
179: ok 3871
179: ok 3872
179: ok 3873
179: ok 3874
179: ok 3875
179: ok 3876
179: ok 3877
179: ok 3878
179: ok 3879
179: ok 3880
179: ok 3881
179: ok 3882
179: ok 3883
179: ok 3884
179: ok 3885
179: ok 3886
179: ok 3887
179: ok 3888
179: ok 3889
179: ok 3890
179: ok 3891
179: ok 3892
179: ok 3893
179: ok 3894
179: ok 3895
179: ok 3896
179: ok 3897
179: ok 3898
179: ok 3899
179: ok 3900
179: ok 3901
179: ok 3902
179: ok 3903
179: ok 3904
179: ok 3905
179: ok 3906
179: ok 3907
179: ok 3908
179: ok 3909
179: ok 3910
179: ok 3911
179: ok 3912
179: ok 3913
179: ok 3914
179: ok 3915
179: ok 3916
179: ok 3917
179: ok 3918
179: ok 3919
179: ok 3920
179: ok 3921
179: ok 3922
179: ok 3923
179: ok 3924
179: ok 3925
179: ok 3926
179: ok 3927
179: ok 3928
179: ok 3929
179: ok 3930
179: ok 3931
179: ok 3932
179: ok 3933
179: ok 3934
179: ok 3935
179: ok 3936
179: ok 3937
179: ok 3938
179: ok 3939
179: ok 3940
179: ok 3941
179: ok 3942
179: ok 3943
179: ok 3944
179: ok 3945
179: ok 3946
179: ok 3947
179: ok 3948
179: ok 3949
179: ok 3950
179: ok 3951
179: ok 3952
179: ok 3953
179: ok 3954
179: ok 3955
179: ok 3956
179: ok 3957
179: ok 3958
179: ok 3959
179: ok 3960
179: ok 3961
179: ok 3962
179: ok 3963
179: ok 3964
179: ok 3965
179: ok 3966
179: ok 3967
179: ok 3968
179: ok 3969
179: ok 3970
179: ok 3971
179: ok 3972
179: ok 3973
179: ok 3974
179: ok 3975
179: ok 3976
179: ok 3977
179: ok 3978
179: ok 3979
179: ok 3980
179: ok 3981
179: ok 3982
179: ok 3983
179: ok 3984
179: ok 3985
179: ok 3986
179: ok 3987
179: ok 3988
179: ok 3989
179: ok 3990
179: ok 3991
179: ok 3992
179: ok 3993
179: ok 3994
179: ok 3995
179: ok 3996
179: ok 3997
179: ok 3998
179: ok 3999
179: ok 4000
179: ok 4001
179: ok 4002
179: ok 4003
179: ok 4004
179: ok 4005
179: ok 4006
179: ok 4007
179: ok 4008
179: ok 4009
179: ok 4010
179: ok 4011
179: ok 4012
179: ok 4013
179: ok 4014
179: ok 4015
179: ok 4016
179: ok 4017
179: ok 4018
179: ok 4019
179: ok 4020
179: ok 4021
179: ok 4022
179: ok 4023
179: ok 4024
179: ok 4025
179: ok 4026
179: ok 4027
179: ok 4028
179: ok 4029
179: ok 4030
179: ok 4031
179: ok 4032
179: ok 4033
179: ok 4034
179: ok 4035
179: ok 4036
179: ok 4037
179: ok 4038
179: ok 4039
179: ok 4040
179: ok 4041
179: ok 4042
179: ok 4043
179: ok 4044
179: ok 4045
179: ok 4046
179: ok 4047
179: ok 4048
179: ok 4049
179: ok 4050
179: ok 4051
179: ok 4052
179: ok 4053
179: ok 4054
179: ok 4055
179: ok 4056
179: ok 4057
179: ok 4058
179: ok 4059
179: ok 4060
179: ok 4061
179: ok 4062
179: ok 4063
179: ok 4064
179: ok 4065
179: ok 4066
179: ok 4067
179: ok 4068
179: ok 4069
179: ok 4070
179: ok 4071
179: ok 4072
179: ok 4073
179: ok 4074
179: ok 4075
179: ok 4076
179: ok 4077
179: ok 4078
179: ok 4079
179: ok 4080
179: ok 4081
179: ok 4082
179: ok 4083
179: ok 4084
179: ok 4085
179: ok 4086
179: ok 4087
179: ok 4088
179: ok 4089
179: ok 4090
179: ok 4091
179: ok 4092
179: ok 4093
179: ok 4094
179: ok 4095
179: ok 4096
179: ok 4097
179: ok 4098
179: ok 4099
179: ok 4100
179: ok 4101
179: ok 4102
179: ok 4103
179: ok 4104
179: ok 4105
179: ok 4106
179: ok 4107
179: ok 4108
179: ok 4109
179: ok 4110
179: ok 4111
179: ok 4112
179: ok 4113
179: ok 4114
179: ok 4115
179: ok 4116
179: ok 4117
179: ok 4118
179: ok 4119
179: ok 4120
179: ok 4121
179: ok 4122
179: ok 4123
179: ok 4124
179: ok 4125
179: ok 4126
179: ok 4127
179: ok 4128
179: ok 4129
179: ok 4130
179: ok 4131
179: ok 4132
179: ok 4133
179: ok 4134
179: ok 4135
179: ok 4136
179: ok 4137
179: ok 4138
179: ok 4139
179: ok 4140
179: ok 4141
179: ok 4142
179: ok 4143
179: ok 4144
179: ok 4145
179: ok 4146
179: ok 4147
179: ok 4148
179: ok 4149
179: ok 4150
179: ok 4151
179: ok 4152
179: ok 4153
179: ok 4154
179: ok 4155
179: ok 4156
179: ok 4157
179: ok 4158
179: ok 4159
179: ok 4160
179: ok 4161
179: ok 4162
179: ok 4163
179: ok 4164
179: ok 4165
179: ok 4166
179: ok 4167
179: ok 4168
179: ok 4169
179: ok 4170
179: ok 4171
179: ok 4172
179: ok 4173
179: ok 4174
179: ok 4175
179: ok 4176
179: ok 4177
179: ok 4178
179: ok 4179
179: ok 4180
179: ok 4181
179: ok 4182
179: ok 4183
179: ok 4184
179: ok 4185
179: ok 4186
179: ok 4187
179: ok 4188
179: ok 4189
179: ok 4190
179: ok 4191
179: ok 4192
179: ok 4193
179: ok 4194
179: ok 4195
179: ok 4196
179: ok 4197
179: ok 4198
179: ok 4199
179: ok 4200
179: ok 4201
179: ok 4202
179: ok 4203
179: ok 4204
179: ok 4205
179: ok 4206
179: ok 4207
179: ok 4208
179: ok 4209
179: ok 4210
179: ok 4211
179: ok 4212
179: ok 4213
179: ok 4214
179: ok 4215
179: ok 4216
179: ok 4217
179: ok 4218
179: ok 4219
179: ok 4220
179: ok 4221
179: ok 4222
179: ok 4223
179: ok 4224
179: ok 4225
179: ok 4226
179: ok 4227
179: ok 4228
179: ok 4229
179: ok 4230
179: ok 4231
179: ok 4232
179: ok 4233
179: ok 4234
179: ok 4235
179: ok 4236
179: ok 4237
179: ok 4238
179: ok 4239
179: ok 4240
179: ok 4241
179: ok 4242
179: ok 4243
179: ok 4244
179: ok 4245
179: ok 4246
179: ok 4247
179: ok 4248
179: ok 4249
179: ok 4250
179: ok 4251
179: ok 4252
179: ok 4253
179: ok 4254
179: ok 4255
179: ok 4256
179: ok 4257
179: ok 4258
179: ok 4259
179: ok 4260
179: ok 4261
179: ok 4262
179: ok 4263
179: ok 4264
179: ok 4265
179: ok 4266
179: ok 4267
179: ok 4268
179: ok 4269
179: ok 4270
179: ok 4271
179: ok 4272
179: ok 4273
179: ok 4274
179: ok 4275
179: ok 4276
179: ok 4277
179: ok 4278
179: ok 4279
179: ok 4280
179: ok 4281
179: ok 4282
179: ok 4283
179: ok 4284
179: ok 4285
179: ok 4286
179: ok 4287
179: ok 4288
179: ok 4289
179: ok 4290
179: ok 4291
179: ok 4292
179: ok 4293
179: ok 4294
179: ok 4295
179: ok 4296
179: ok 4297
179: ok 4298
179: ok 4299
179: ok 4300
179: ok 4301
179: ok 4302
179: ok 4303
179: ok 4304
179: ok 4305
179: ok 4306
179: ok 4307
179: ok 4308
179: ok 4309
179: ok 4310
179: ok 4311
179: ok 4312
179: ok 4313
179: ok 4314
179: ok 4315
179: ok 4316
179: ok 4317
179: ok 4318
179: ok 4319
179: ok 4320
179: ok 4321
179: ok 4322
179: ok 4323
179: ok 4324
179: ok 4325
179: ok 4326
179: ok 4327
179: ok 4328
179: ok 4329
179: ok 4330
179: ok 4331
179: ok 4332
179: ok 4333
179: ok 4334
179: ok 4335
179: ok 4336
179: ok 4337
179: ok 4338
179: ok 4339
179: ok 4340
179: ok 4341
179: ok 4342
179: ok 4343
179: ok 4344
179: ok 4345
179: ok 4346
179: ok 4347
179: ok 4348
179: ok 4349
179: ok 4350
179: ok 4351
179: ok 4352
179: ok 4353
179: ok 4354
179: ok 4355
179: ok 4356
179: ok 4357
179: ok 4358
179: ok 4359
179: ok 4360
179: ok 4361
179: ok 4362
179: ok 4363
179: ok 4364
179: ok 4365
179: ok 4366
179: ok 4367
179: ok 4368
179: ok 4369
179: ok 4370
179: ok 4371
179: ok 4372
179: ok 4373
179: ok 4374
179: ok 4375
179: ok 4376
179: ok 4377
179: ok 4378
179: ok 4379
179: ok 4380
179: ok 4381
179: ok 4382
179: ok 4383
179: ok 4384
179: ok 4385
179: ok 4386
179: ok 4387
179: ok 4388
179: ok 4389
179: ok 4390
179: ok 4391
179: ok 4392
179: ok 4393
179: ok 4394
179: ok 4395
179: ok 4396
179: ok 4397
179: ok 4398
179: ok 4399
179: ok 4400
179: ok 4401
179: ok 4402
179: ok 4403
179: ok 4404
179: ok 4405
179: ok 4406
179: ok 4407
179: ok 4408
179: ok 4409
179: ok 4410
179: ok 4411
179: ok 4412
179: ok 4413
179: ok 4414
179: ok 4415
179: ok 4416
179: ok 4417
179: ok 4418
179: ok 4419
179: ok 4420
179: ok 4421
179: ok 4422
179: ok 4423
179: ok 4424
179: ok 4425
179: ok 4426
179: ok 4427
179: ok 4428
179: ok 4429
179: ok 4430
179: ok 4431
179: ok 4432
179: ok 4433
179: ok 4434
179: ok 4435
179: ok 4436
179: ok 4437
179: ok 4438
179: ok 4439
179: ok 4440
179: ok 4441
179: ok 4442
179: ok 4443
179: ok 4444
179: ok 4445
179: ok 4446
179: ok 4447
179: ok 4448
179: ok 4449
179: ok 4450
179: ok 4451
179: ok 4452
179: ok 4453
179: ok 4454
179: ok 4455
179: ok 4456
179: ok 4457
179: ok 4458
179: ok 4459
179: ok 4460
179: ok 4461
179: ok 4462
179: ok 4463
179: ok 4464
179: ok 4465
179: ok 4466
179: ok 4467
179: ok 4468
179: ok 4469
179: ok 4470
179: ok 4471
179: ok 4472
179: ok 4473
179: ok 4474
179: ok 4475
179: ok 4476
179: ok 4477
179: ok 4478
179: ok 4479
179: ok 4480
179: ok 4481
179: ok 4482
179: ok 4483
179: ok 4484
179: ok 4485
179: ok 4486
179: ok 4487
179: ok 4488
179: ok 4489
179: ok 4490
179: ok 4491
179: ok 4492
179: ok 4493
179: ok 4494
179: ok 4495
179: ok 4496
179: ok 4497
179: ok 4498
179: ok 4499
179: ok 4500
179: ok 4501
179: ok 4502
179: ok 4503
179: ok 4504
179: ok 4505
179: ok 4506
179: ok 4507
179: ok 4508
179: ok 4509
179: ok 4510
179: ok 4511
179: ok 4512
179: ok 4513
179: ok 4514
179: ok 4515
179: ok 4516
179: ok 4517
179: ok 4518
179: ok 4519
179: ok 4520
179: ok 4521
179: ok 4522
179: ok 4523
179: ok 4524
179: ok 4525
179: ok 4526
179: ok 4527
179: ok 4528
179: ok 4529
179: ok 4530
179: ok 4531
179: ok 4532
179: ok 4533
179: ok 4534
179: ok 4535
179: ok 4536
179: ok 4537
179: ok 4538
179: ok 4539
179: ok 4540
179: ok 4541
179: ok 4542
179: ok 4543
179: ok 4544
179: ok 4545
179: ok 4546
179: ok 4547
179: ok 4548
179: ok 4549
179: ok 4550
179: ok 4551
179: ok 4552
179: ok 4553
179: ok 4554
179: ok 4555
179: ok 4556
179: ok 4557
179: ok 4558
179: ok 4559
179: ok 4560
179: ok 4561
179: ok 4562
179: ok 4563
179: ok 4564
179: ok 4565
179: ok 4566
179: ok 4567
179: ok 4568
179: ok 4569
179: ok 4570
179: ok 4571
179: ok 4572
179: ok 4573
179: ok 4574
179: ok 4575
179: ok 4576
179: ok 4577
179: ok 4578
179: ok 4579
179: ok 4580
179: ok 4581
179: ok 4582
179: ok 4583
179: ok 4584
179: ok 4585
179: ok 4586
179: ok 4587
179: ok 4588
179: ok 4589
179: ok 4590
179: ok 4591
179: ok 4592
179: ok 4593
179: ok 4594
179: ok 4595
179: ok 4596
179: ok 4597
179: ok 4598
179: ok 4599
179: ok 4600
179: ok 4601
179: ok 4602
179: ok 4603
179: ok 4604
179: ok 4605
179: ok 4606
179: ok 4607
179: ok 4608
179: ok 4609
179: ok 4610
179: ok 4611
179: ok 4612
179: ok 4613
179: ok 4614
179: ok 4615
179: ok 4616
179: ok 4617
179: ok 4618
179: ok 4619
179: ok 4620
179: ok 4621
179: ok 4622
179: ok 4623
179: ok 4624
179: ok 4625
179: ok 4626
179: ok 4627
179: ok 4628
179: ok 4629
179: ok 4630
179: ok 4631
179: ok 4632
179: ok 4633
179: ok 4634
179: ok 4635
179: ok 4636
179: ok 4637
179: ok 4638
179: ok 4639
179: ok 4640
179: ok 4641
179: ok 4642
179: ok 4643
179: ok 4644
179: ok 4645
179: ok 4646
179: ok 4647
179: ok 4648
179: ok 4649
179: ok 4650
179: ok 4651
179: ok 4652
179: ok 4653
179: ok 4654
179: ok 4655
179: ok 4656
179: ok 4657
179: ok 4658
179: ok 4659
179: ok 4660
179: ok 4661
179: ok 4662
179: ok 4663
179: ok 4664
179: ok 4665
179: ok 4666
179: ok 4667
179: ok 4668
179: ok 4669
179: ok 4670
179: ok 4671
179: ok 4672
179: ok 4673
179: ok 4674
179: ok 4675
179: ok 4676
179: ok 4677
179: ok 4678
179: ok 4679
179: ok 4680
179: ok 4681
179: ok 4682
179: ok 4683
179: ok 4684
179: ok 4685
179: ok 4686
179: ok 4687
179: ok 4688
179: ok 4689
179: ok 4690
179: ok 4691
179: ok 4692
179: ok 4693
179: ok 4694
179: ok 4695
179: ok 4696
179: ok 4697
179: ok 4698
179: ok 4699
179: ok 4700
179: ok 4701
179: ok 4702
179: ok 4703
179: ok 4704
179: ok 4705
179: ok 4706
179: ok 4707
179: ok 4708
179: ok 4709
179: ok 4710
179: ok 4711
179: ok 4712
179: ok 4713
179: ok 4714
179: ok 4715
179: ok 4716
179: ok 4717
179: ok 4718
179: ok 4719
179: ok 4720
179: ok 4721
179: ok 4722
179: ok 4723
179: ok 4724
179: ok 4725
179: ok 4726
179: ok 4727
179: ok 4728
179: ok 4729
179: ok 4730
179: ok 4731
179: ok 4732
179: ok 4733
179: ok 4734
179: ok 4735
179: ok 4736
179: ok 4737
179: ok 4738
179: ok 4739
179: ok 4740
179: ok 4741
179: ok 4742
179: ok 4743
179: ok 4744
179: ok 4745
179: ok 4746
179: ok 4747
179: ok 4748
179: ok 4749
179: ok 4750
179: ok 4751
179: ok 4752
179: ok 4753
179: ok 4754
179: ok 4755
179: ok 4756
179: ok 4757
179: ok 4758
179: ok 4759
179: ok 4760
179: ok 4761
179: ok 4762
179: ok 4763
179: ok 4764
179: ok 4765
179: ok 4766
179: ok 4767
179: ok 4768
179: ok 4769
179: ok 4770
179: ok 4771
179: ok 4772
179: ok 4773
179: ok 4774
179: ok 4775
179: ok 4776
179: ok 4777
179: ok 4778
179: ok 4779
179: ok 4780
179: ok 4781
179: ok 4782
179: ok 4783
179: ok 4784
179: ok 4785
179: ok 4786
179: ok 4787
179: ok 4788
179: ok 4789
179: ok 4790
179: ok 4791
179: ok 4792
179: ok 4793
179: ok 4794
179: ok 4795
179: ok 4796
179: ok 4797
179: ok 4798
179: ok 4799
179: ok 4800
179: ok 4801
179: ok 4802
179: ok 4803
179: ok 4804
179: ok 4805
179: ok 4806
179: ok 4807
179: ok 4808
179: ok 4809
179: ok 4810
179: ok 4811
179: ok 4812
179: ok 4813
179: ok 4814
179: ok 4815
179: ok 4816
179: ok 4817
179: ok 4818
179: ok 4819
179: ok 4820
179: ok 4821
179: ok 4822
179: ok 4823
179: ok 4824
179: ok 4825
179: ok 4826
179: ok 4827
179: ok 4828
179: ok 4829
179: ok 4830
179: ok 4831
179: ok 4832
179: ok 4833
179: ok 4834
179: ok 4835
179: ok 4836
179: ok 4837
179: ok 4838
179: ok 4839
179: ok 4840
179: ok 4841
179: ok 4842
179: ok 4843
179: ok 4844
179: ok 4845
179: ok 4846
179: ok 4847
179: ok 4848
179: ok 4849
179: ok 4850
179: ok 4851
179: ok 4852
179: ok 4853
179: ok 4854
179: ok 4855
179: ok 4856
179: ok 4857
179: ok 4858
179: ok 4859
179: ok 4860
179: ok 4861
179: ok 4862
179: ok 4863
179: ok 4864
179: ok 4865
179: ok 4866
179: ok 4867
179: ok 4868
179: ok 4869
179: ok 4870
179: ok 4871
179: ok 4872
179: ok 4873
179: ok 4874
179: ok 4875
179: ok 4876
179: ok 4877
179: ok 4878
179: ok 4879
179: ok 4880
179: ok 4881
179: ok 4882
179: ok 4883
179: ok 4884
179: ok 4885
179: ok 4886
179: ok 4887
179: ok 4888
179: ok 4889
179: ok 4890
179: ok 4891
179: ok 4892
179: ok 4893
179: ok 4894
179: ok 4895
179: ok 4896
179: ok 4897
179: ok 4898
179: ok 4899
179: ok 4900
179: ok 4901
179: ok 4902
179: ok 4903
179: ok 4904
179: ok 4905
179: ok 4906
179: ok 4907
179: ok 4908
179: ok 4909
179: ok 4910
179: ok 4911
179: ok 4912
179: ok 4913
179: ok 4914
179: ok 4915
179: ok 4916
179: ok 4917
179: ok 4918
179: ok 4919
179: ok 4920
179: ok 4921
179: ok 4922
179: ok 4923
179: ok 4924
179: ok 4925
179: ok 4926
179: ok 4927
179: ok 4928
179: ok 4929
179: ok 4930
179: ok 4931
179: ok 4932
179: ok 4933
179: ok 4934
179: ok 4935
179: ok 4936
179: ok 4937
179: ok 4938
179: ok 4939
179: ok 4940
179: ok 4941
179: ok 4942
179: ok 4943
179: ok 4944
179: ok 4945
179: ok 4946
179: ok 4947
179: ok 4948
179: ok 4949
179: ok 4950
179: ok 4951
179: ok 4952
179: ok 4953
179: ok 4954
179: ok 4955
179: ok 4956
179: ok 4957
179: ok 4958
179: ok 4959
179: ok 4960
179: ok 4961
179: ok 4962
179: ok 4963
179: ok 4964
179: ok 4965
179: ok 4966
179: ok 4967
179: ok 4968
179: ok 4969
179: ok 4970
179: ok 4971
179: ok 4972
179: ok 4973
179: ok 4974
179: ok 4975
179: ok 4976
179: ok 4977
179: ok 4978
179: ok 4979
179: ok 4980
179: ok 4981
179: ok 4982
179: ok 4983
179: ok 4984
179: ok 4985
179: ok 4986
179: ok 4987
179: ok 4988
179: ok 4989
179: ok 4990
179: ok 4991
179: ok 4992
179: ok 4993
179: ok 4994
179: ok 4995
179: ok 4996
179: ok 4997
179: ok 4998
179: ok 4999
179: ok 5000
179: ok 5001
179: ok 5002
179: ok 5003
179: ok 5004
179: ok 5005
179: ok 5006
179: ok 5007
179: ok 5008
179: ok 5009
179: ok 5010
179: ok 5011
179: ok 5012
179: ok 5013
179: ok 5014
179: ok 5015
179: ok 5016
179: ok 5017
179: ok 5018
179: ok 5019
179: ok 5020
179: ok 5021
179: ok 5022
179: ok 5023
179: ok 5024
179: ok 5025
179: ok 5026
179: ok 5027
179: ok 5028
179: ok 5029
179: ok 5030
179: ok 5031
179: ok 5032
179: ok 5033
179: ok 5034
179: ok 5035
179: ok 5036
179: ok 5037
179: ok 5038
179: ok 5039
179: ok 5040
179: ok 5041
179: ok 5042
179: ok 5043
179: ok 5044
179: ok 5045
179: ok 5046
179: ok 5047
179: ok 5048
179: ok 5049
179: ok 5050
179: ok 5051
179: ok 5052
179: ok 5053
179: ok 5054
179: ok 5055
179: ok 5056
179: ok 5057
179: ok 5058
179: ok 5059
179: ok 5060
179: ok 5061
179: ok 5062
179: ok 5063
179: ok 5064
179: ok 5065
179: ok 5066
179: ok 5067
179: ok 5068
179: ok 5069
179: ok 5070
179: ok 5071
179: ok 5072
179: ok 5073
179: ok 5074
179: ok 5075
179: ok 5076
179: ok 5077
179: ok 5078
179: ok 5079
179: ok 5080
179: ok 5081
179: ok 5082
179: ok 5083
179: ok 5084
179: ok 5085
179: ok 5086
179: ok 5087
179: ok 5088
179: ok 5089
179: ok 5090
179: ok 5091
179: ok 5092
179: ok 5093
179: ok 5094
179: ok 5095
179: ok 5096
179: ok 5097
179: ok 5098
179: ok 5099
179: ok 5100
179: ok 5101
179: ok 5102
179: ok 5103
179: ok 5104
179: ok 5105
179: ok 5106
179: ok 5107
179: ok 5108
179: ok 5109
179: ok 5110
179: ok 5111
179: ok 5112
179: ok 5113
179: ok 5114
179: ok 5115
179: ok 5116
179: ok 5117
179: ok 5118
179: ok 5119
179: ok 5120
179: ok 5121
179: ok 5122
179: ok 5123
179: ok 5124
179: ok 5125
179: ok 5126
179: ok 5127
179: ok 5128
179: ok 5129
179: ok 5130
179: ok 5131
179: ok 5132
179: ok 5133
179: ok 5134
179: ok 5135
179: ok 5136
179: ok 5137
179: ok 5138
179: ok 5139
179: ok 5140
179: ok 5141
179: ok 5142
179: ok 5143
179: ok 5144
179: ok 5145
179: ok 5146
179: ok 5147
179: ok 5148
179: ok 5149
179: ok 5150
179: ok 5151
179: ok 5152
179: ok 5153
179: ok 5154
179: ok 5155
179: ok 5156
179: ok 5157
179: ok 5158
179: ok 5159
179: ok 5160
179: ok 5161
179: ok 5162
179: ok 5163
179: ok 5164
179: ok 5165
179: ok 5166
179: ok 5167
179: ok 5168
179: ok 5169
179: ok 5170
179: ok 5171
179: ok 5172
179: ok 5173
179: ok 5174
179: ok 5175
179: ok 5176
179: ok 5177
179: ok 5178
179: ok 5179
179: ok 5180
179: ok 5181
179: ok 5182
179: ok 5183
179: ok 5184
179: ok 5185
179: ok 5186
179: ok 5187
179: ok 5188
179: ok 5189
179: ok 5190
179: ok 5191
179: ok 5192
179: ok 5193
179: ok 5194
179: ok 5195
179: ok 5196
179: ok 5197
179: ok 5198
179: ok 5199
179: ok 5200
179: ok 5201
179: ok 5202
179: ok 5203
179: ok 5204
179: ok 5205
179: ok 5206
179: ok 5207
179: ok 5208
179: ok 5209
179: ok 5210
179: ok 5211
179: ok 5212
179: ok 5213
179: ok 5214
179: ok 5215
179: ok 5216
179: ok 5217
179: ok 5218
179: ok 5219
179: ok 5220
179: ok 5221
179: ok 5222
179: ok 5223
179: ok 5224
179: ok 5225
179: ok 5226
179: ok 5227
179: ok 5228
179: ok 5229
179: ok 5230
179: ok 5231
179: ok 5232
179: ok 5233
179: ok 5234
179: ok 5235
179: ok 5236
179: ok 5237
179: ok 5238
179: ok 5239
179: ok 5240
179: ok 5241
179: ok 5242
179: ok 5243
179: ok 5244
179: ok 5245
179: ok 5246
179: ok 5247
179: ok 5248
179: ok 5249
179: ok 5250
179: ok 5251
179: ok 5252
179: ok 5253
179: ok 5254
179: ok 5255
179: ok 5256
179: ok 5257
179: ok 5258
179: ok 5259
179: ok 5260
179: ok 5261
179: ok 5262
179: ok 5263
179: ok 5264
179: ok 5265
179: ok 5266
179: ok 5267
179: ok 5268
179: ok 5269
179: ok 5270
179: ok 5271
179: ok 5272
179: ok 5273
179: ok 5274
179: ok 5275
179: ok 5276
179: ok 5277
179: ok 5278
179: ok 5279
179: ok 5280
179: ok 5281
179: ok 5282
179: ok 5283
179: ok 5284
179: ok 5285
179: ok 5286
179: ok 5287
179: ok 5288
179: ok 5289
179: ok 5290
179: ok 5291
179: ok 5292
179: ok 5293
179: ok 5294
179: ok 5295
179: ok 5296
179: ok 5297
179: ok 5298
179: ok 5299
179: ok 5300
179: ok 5301
179: ok 5302
179: ok 5303
179: ok 5304
179: ok 5305
179: ok 5306
179: ok 5307
179: ok 5308
179: ok 5309
179: ok 5310
179: ok 5311
179: ok 5312
179: ok 5313
179: ok 5314
179: ok 5315
179: ok 5316
179: ok 5317
179: ok 5318
179: ok 5319
179: ok 5320
179: ok 5321
179: ok 5322
179: ok 5323
179: ok 5324
179: ok 5325
179: ok 5326
179: ok 5327
179: ok 5328
179: ok 5329
179: ok 5330
179: ok 5331
179: ok 5332
179: ok 5333
179: ok 5334
179: ok 5335
179: ok 5336
179: ok 5337
179: ok 5338
179: ok 5339
179: ok 5340
179: ok 5341
179: ok 5342
179: ok 5343
179: ok 5344
179: ok 5345
179: ok 5346
179: ok 5347
179: ok 5348
179: ok 5349
179: ok 5350
179: ok 5351
179: ok 5352
179: ok 5353
179: ok 5354
179: ok 5355
179: ok 5356
179: ok 5357
179: ok 5358
179: ok 5359
179: ok 5360
179: ok 5361
179: ok 5362
179: ok 5363
179: ok 5364
179: ok 5365
179: ok 5366
179: ok 5367
179: ok 5368
179: ok 5369
179: ok 5370
179: ok 5371
179: ok 5372
179: ok 5373
179: ok 5374
179: ok 5375
179: ok 5376
179: ok 5377
179: ok 5378
179: ok 5379
179: ok 5380
179: ok 5381
179: ok 5382
179: ok 5383
179: ok 5384
179: ok 5385
179: ok 5386
179: ok 5387
179: ok 5388
179: ok 5389
179: ok 5390
179: ok 5391
179: ok 5392
179: ok 5393
179: ok 5394
179: ok 5395
179: ok 5396
179: ok 5397
179: ok 5398
179: ok 5399
179: ok 5400
179: ok 5401
179: ok 5402
179: ok 5403
179: ok 5404
179: ok 5405
179: ok 5406
179: ok 5407
179: ok 5408
179: ok 5409
179: ok 5410
179: ok 5411
179: ok 5412
179: ok 5413
179: ok 5414
179: ok 5415
179: ok 5416
179: ok 5417
179: ok 5418
179: ok 5419
179: ok 5420
179: ok 5421
179: ok 5422
179: ok 5423
179: ok 5424
179: ok 5425
179: ok 5426
179: ok 5427
179: ok 5428
179: ok 5429
179: ok 5430
179: ok 5431
179: ok 5432
179: ok 5433
179: ok 5434
179: ok 5435
179: ok 5436
179: ok 5437
179: ok 5438
179: ok 5439
179: ok 5440
179: ok 5441
179: ok 5442
179: ok 5443
179: ok 5444
179: ok 5445
179: ok 5446
179: ok 5447
179: ok 5448
179: ok 5449
179: ok 5450
179: ok 5451
179: ok 5452
179: ok 5453
179: ok 5454
179: ok 5455
179: ok 5456
179: ok 5457
179: ok 5458
179: ok 5459
179: ok 5460
179: ok 5461
179: ok 5462
179: ok 5463
179: ok 5464
179: ok 5465
179: ok 5466
179: ok 5467
179: ok 5468
179: ok 5469
179: ok 5470
179: ok 5471
179: ok 5472
179: ok 5473
179: ok 5474
179: ok 5475
179: ok 5476
179: ok 5477
179: ok 5478
179: ok 5479
179: ok 5480
179: ok 5481
179: ok 5482
179: ok 5483
179: ok 5484
179: ok 5485
179: ok 5486
179: ok 5487
179: ok 5488
179: ok 5489
179: ok 5490
179: ok 5491
179: ok 5492
179: ok 5493
179: ok 5494
179: ok 5495
179: ok 5496
179: ok 5497
179: ok 5498
179: ok 5499
179: ok 5500
179: ok 5501
179: ok 5502
179: ok 5503
179: ok 5504
179: ok 5505
179: ok 5506
179: ok 5507
179: ok 5508
179: ok 5509
179: ok 5510
179: ok 5511
179: ok 5512
179: ok 5513
179: ok 5514
179: ok 5515
179: ok 5516
179: ok 5517
179: ok 5518
179: ok 5519
179: ok 5520
179: ok 5521
179: ok 5522
179: ok 5523
179: ok 5524
179: ok 5525
179: ok 5526
179: ok 5527
179: ok 5528
179: ok 5529
179: ok 5530
179: ok 5531
179: ok 5532
179: ok 5533
179: ok 5534
179: ok 5535
179: ok 5536
179: ok 5537
179: ok 5538
179: ok 5539
179: ok 5540
179: ok 5541
179: ok 5542
179: ok 5543
179: ok 5544
179: ok 5545
179: ok 5546
179: ok 5547
179: ok 5548
179: ok 5549
179: ok 5550
179: ok 5551
179: ok 5552
179: ok 5553
179: ok 5554
179: ok 5555
179: ok 5556
179: ok 5557
179: ok 5558
179: ok 5559
179: ok 5560
179: ok 5561
179: ok 5562
179: ok 5563
179: ok 5564
179: ok 5565
179: ok 5566
179: ok 5567
179: ok 5568
179: ok 5569
179: ok 5570
179: ok 5571
179: ok 5572
179: ok 5573
179: ok 5574
179: ok 5575
179: ok 5576
179: ok 5577
179: ok 5578
179: ok 5579
179: ok 5580
179: ok 5581
179: ok 5582
179: ok 5583
179: ok 5584
179: ok 5585
179: ok 5586
179: ok 5587
179: ok 5588
179: ok 5589
179: ok 5590
179: ok 5591
179: ok 5592
179: ok 5593
179: ok 5594
179: ok 5595
179: ok 5596
179: ok 5597
179: ok 5598
179: ok 5599
179: ok 5600
179: ok 5601
179: ok 5602
179: ok 5603
179: ok 5604
179: ok 5605
179: ok 5606
179: ok 5607
179: ok 5608
179: ok 5609
179: ok 5610
179: ok 5611
179: ok 5612
179: ok 5613
179: ok 5614
179: ok 5615
179: ok 5616
179: ok 5617
179: ok 5618
179: ok 5619
179: ok 5620
179: ok 5621
179: ok 5622
179: ok 5623
179: ok 5624
179: ok 5625
179: ok 5626
179: ok 5627
179: ok 5628
179: ok 5629
179: ok 5630
179: ok 5631
179: ok 5632
179: ok 5633
179: ok 5634
179: ok 5635
179: ok 5636
179: ok 5637
179: ok 5638
179: ok 5639
179: ok 5640
179: ok 5641
179: ok 5642
179: ok 5643
179: ok 5644
179: ok 5645
179: ok 5646
179: ok 5647
179: ok 5648
179: ok 5649
179: ok 5650
179: ok 5651
179: ok 5652
179: ok 5653
179: ok 5654
179: ok 5655
179: ok 5656
179: ok 5657
179: ok 5658
179: ok 5659
179: ok 5660
179: ok 5661
179: ok 5662
179: ok 5663
179: ok 5664
179: ok 5665
179: ok 5666
179: ok 5667
179: ok 5668
179: ok 5669
179: ok 5670
179: ok 5671
179: ok 5672
179: ok 5673
179: ok 5674
179: ok 5675
179: ok 5676
179: ok 5677
179: ok 5678
179: ok 5679
179: ok 5680
179: ok 5681
179: ok 5682
179: ok 5683
179: ok 5684
179: ok 5685
179: ok 5686
179: ok 5687
179: ok 5688
179: ok 5689
179: ok 5690
179: ok 5691
179: ok 5692
179: ok 5693
179: ok 5694
179: ok 5695
179: ok 5696
179: ok 5697
179: ok 5698
179: ok 5699
179: ok 5700
179: ok 5701
179: ok 5702
179: ok 5703
179: ok 5704
179: ok 5705
179: ok 5706
179: ok 5707
179: ok 5708
179: ok 5709
179: ok 5710
179: ok 5711
179: ok 5712
179: ok 5713
179: ok 5714
179: ok 5715
179: ok 5716
179: ok 5717
179: ok 5718
179: ok 5719
179: ok 5720
179: ok 5721
179: ok 5722
179: ok 5723
179: ok 5724
179: ok 5725
179: ok 5726
179: ok 5727
179: ok 5728
179: ok 5729
179: ok 5730
179: ok 5731
179: ok 5732
179: ok 5733
179: ok 5734
179: ok 5735
179: ok 5736
179: ok 5737
179: ok 5738
179: ok 5739
179: ok 5740
179: ok 5741
179: ok 5742
179: ok 5743
179: ok 5744
179: ok 5745
179: ok 5746
179: ok 5747
179: ok 5748
179: ok 5749
179: ok 5750
179: ok 5751
179: ok 5752
179: ok 5753
179: ok 5754
179: ok 5755
179: ok 5756
179: ok 5757
179: ok 5758
179: ok 5759
179: ok 5760
179: ok 5761
179: ok 5762
179: ok 5763
179: ok 5764
179: ok 5765
179: ok 5766
179: ok 5767
179: ok 5768
179: ok 5769
179: ok 5770
179: ok 5771
179: ok 5772
179: ok 5773
179: ok 5774
179: ok 5775
179: ok 5776
179: ok 5777
179: ok 5778
179: ok 5779
179: ok 5780
179: ok 5781
179: ok 5782
179: ok 5783
179: ok 5784
179: ok 5785
179: ok 5786
179: ok 5787
179: ok 5788
179: ok 5789
179: ok 5790
179: ok 5791
179: ok 5792
179: ok 5793
179: ok 5794
179: ok 5795
179: ok 5796
179: ok 5797
179: ok 5798
179: ok 5799
179: ok 5800
179: ok 5801
179: ok 5802
179: ok 5803
179: ok 5804
179: ok 5805
179: ok 5806
179: ok 5807
179: ok 5808
179: ok 5809
179: ok 5810
179: ok 5811
179: ok 5812
179: ok 5813
179: ok 5814
179: ok 5815
179: ok 5816
179: ok 5817
179: ok 5818
179: ok 5819
179: ok 5820
179: ok 5821
179: ok 5822
179: ok 5823
179: ok 5824
179: ok 5825
179: ok 5826
179: ok 5827
179: ok 5828
179: ok 5829
179: ok 5830
179: ok 5831
179: ok 5832
179: ok 5833
179: ok 5834
179: ok 5835
179: ok 5836
179: ok 5837
179: ok 5838
179: ok 5839
179: ok 5840
179: ok 5841
179: ok 5842
179: ok 5843
179: ok 5844
179: ok 5845
179: ok 5846
179: ok 5847
179: ok 5848
179: ok 5849
179: ok 5850
179: ok 5851
179: ok 5852
179: ok 5853
179: ok 5854
179: ok 5855
179: ok 5856
179: ok 5857
179: ok 5858
179: ok 5859
179: ok 5860
179: ok 5861
179: ok 5862
179: ok 5863
179: ok 5864
179: ok 5865
179: ok 5866
179: ok 5867
179: ok 5868
179: ok 5869
179: ok 5870
179: ok 5871
179: ok 5872
179: ok 5873
179: ok 5874
179: ok 5875
179: ok 5876
179: ok 5877
179: ok 5878
179: ok 5879
179: ok 5880
179: ok 5881
179: ok 5882
179: ok 5883
179: ok 5884
179: ok 5885
179: ok 5886
179: ok 5887
179: ok 5888
179: ok 5889
179: ok 5890
179: ok 5891
179: ok 5892
179: ok 5893
179: ok 5894
179: ok 5895
179: ok 5896
179: ok 5897
179: ok 5898
179: ok 5899
179: ok 5900
179: ok 5901
179: ok 5902
179: ok 5903
179: ok 5904
179: ok 5905
179: ok 5906
179: ok 5907
179: ok 5908
179: ok 5909
179: ok 5910
179: ok 5911
179: ok 5912
179: ok 5913
179: ok 5914
179: ok 5915
179: ok 5916
179: ok 5917
179: ok 5918
179: ok 5919
179: ok 5920
179: ok 5921
179: ok 5922
179: ok 5923
179: ok 5924
179: ok 5925
179: ok 5926
179: ok 5927
179: ok 5928
179: ok 5929
179: ok 5930
179: ok 5931
179: ok 5932
179: ok 5933
179: ok 5934
179: ok 5935
179: ok 5936
179: ok 5937
179: ok 5938
179: ok 5939
179: ok 5940
179: ok 5941
179: ok 5942
179: ok 5943
179: ok 5944
179: ok 5945
179: ok 5946
179: ok 5947
179: ok 5948
179: ok 5949
179: ok 5950
179: ok 5951
179: ok 5952
179: ok 5953
179: ok 5954
179: ok 5955
179: ok 5956
179: ok 5957
179: ok 5958
179: ok 5959
179: ok 5960
179: ok 5961
179: ok 5962
179: ok 5963
179: ok 5964
179: ok 5965
179: ok 5966
179: ok 5967
179: ok 5968
179: ok 5969
179: ok 5970
179: ok 5971
179: ok 5972
179: ok 5973
179: ok 5974
179: ok 5975
179: ok 5976
179: ok 5977
179: ok 5978
179: ok 5979
179: ok 5980
179: ok 5981
179: ok 5982
179: ok 5983
179: ok 5984
179: ok 5985
179: ok 5986
179: ok 5987
179: ok 5988
179: ok 5989
179: ok 5990
179: ok 5991
179: ok 5992
179: ok 5993
179: ok 5994
179: ok 5995
179: ok 5996
179: ok 5997
179: ok 5998
179: ok 5999
179: ok 6000
179: ok 6001
179: ok 6002
179: ok 6003
179: ok 6004
179: ok 6005
179: ok 6006
179: ok 6007
179: ok 6008
179: ok 6009
179: ok 6010
179: ok 6011
179: ok 6012
179: ok 6013
179: ok 6014
179: ok 6015
179: ok 6016
179: ok 6017
179: ok 6018
179: ok 6019
179: ok 6020
179: ok 6021
179: ok 6022
179: ok 6023
179: ok 6024
179: ok 6025
179: ok 6026
179: ok 6027
179: ok 6028
179: ok 6029
179: ok 6030
179: ok 6031
179: ok 6032
179: ok 6033
179: ok 6034
179: ok 6035
179: ok 6036
179: ok 6037
179: ok 6038
179: ok 6039
179: ok 6040
179: ok 6041
179: ok 6042
179: ok 6043
179: ok 6044
179: ok 6045
179: ok 6046
179: ok 6047
179: ok 6048
179: ok 6049
179: ok 6050
179: ok 6051
179: ok 6052
179: ok 6053
179: ok 6054
179: ok 6055
179: ok 6056
179: ok 6057
179: ok 6058
179: ok 6059
179: ok 6060
179: ok 6061
179: ok 6062
179: ok 6063
179: ok 6064
179: ok 6065
179: ok 6066
179: ok 6067
179: ok 6068
179: ok 6069
179: ok 6070
179: ok 6071
179: ok 6072
179: ok 6073
179: ok 6074
179: ok 6075
179: ok 6076
179: ok 6077
179: ok 6078
179: ok 6079
179: ok 6080
179: ok 6081
179: ok 6082
179: ok 6083
179: ok 6084
179: ok 6085
179: ok 6086
179: ok 6087
179: ok 6088
179: ok 6089
179: ok 6090
179: ok 6091
179: ok 6092
179: ok 6093
179: ok 6094
179: ok 6095
179: ok 6096
179: ok 6097
179: ok 6098
179: ok 6099
179: ok 6100
179: ok 6101
179: ok 6102
179: ok 6103
179: ok 6104
179: ok 6105
179: ok 6106
179: ok 6107
179: ok 6108
179: ok 6109
179: ok 6110
179: ok 6111
179: ok 6112
179: ok 6113
179: ok 6114
179: ok 6115
179: ok 6116
179: ok 6117
179: ok 6118
179: ok 6119
179: ok 6120
179: ok 6121
179: ok 6122
179: ok 6123
179: ok 6124
179: ok 6125
179: ok 6126
179: ok 6127
179: ok 6128
179: ok 6129
179: ok 6130
179: ok 6131
179: ok 6132
179: ok 6133
179: ok 6134
179: ok 6135
179: ok 6136
179: ok 6137
179: ok 6138
179: ok 6139
179: ok 6140
179: ok 6141
179: ok 6142
179: ok 6143
179: ok 6144
179: ok 6145
179: ok 6146
179: ok 6147
179: ok 6148
179: ok 6149
179: ok 6150
179: ok 6151
179: ok 6152
179: ok 6153
179: ok 6154
179: ok 6155
179: ok 6156
179: ok 6157
179: ok 6158
179: ok 6159
179: ok 6160
179: ok 6161
179: ok 6162
179: ok 6163
179: ok 6164
179: ok 6165
179: ok 6166
179: ok 6167
179: ok 6168
179: ok 6169
179: ok 6170
179: ok 6171
179: ok 6172
179: ok 6173
179: ok 6174
179: ok 6175
179: ok 6176
179: ok 6177
179: ok 6178
179: ok 6179
179: ok 6180
179: ok 6181
179: ok 6182
179: ok 6183
179: ok 6184
179: ok 6185
179: ok 6186
179: ok 6187
179: ok 6188
179: ok 6189
179: ok 6190
179: ok 6191
179: ok 6192
179: ok 6193
179: ok 6194
179: ok 6195
179: ok 6196
179: ok 6197
179: ok 6198
179: ok 6199
179: ok 6200
179: ok 6201
179: ok 6202
179: ok 6203
179: ok 6204
179: ok 6205
179: ok 6206
179: ok 6207
179: ok 6208
179: ok 6209
179: ok 6210
179: ok 6211
179: ok 6212
179: ok 6213
179: ok 6214
179: ok 6215
179: ok 6216
179: ok 6217
179: ok 6218
179: ok 6219
179: ok 6220
179: ok 6221
179: ok 6222
179: ok 6223
179: ok 6224
179: ok 6225
179: ok 6226
179: ok 6227
179: ok 6228
179: ok 6229
179: ok 6230
179: ok 6231
179: ok 6232
179: ok 6233
179: ok 6234
179: ok 6235
179: ok 6236
179: ok 6237
179: ok 6238
179: ok 6239
179: ok 6240
179: ok 6241
179: ok 6242
179: ok 6243
179: ok 6244
179: ok 6245
179: ok 6246
179: ok 6247
179: ok 6248
179: ok 6249
179: ok 6250
179: ok 6251
179: ok 6252
179: ok 6253
179: ok 6254
179: ok 6255
179: ok 6256
179: ok 6257
179: ok 6258
179: ok 6259
179: ok 6260
179: ok 6261
179: ok 6262
179: ok 6263
179: ok 6264
179: ok 6265
179: ok 6266
179: ok 6267
179: ok 6268
179: ok 6269
179: ok 6270
179: ok 6271
179: ok 6272
179: ok 6273
179: ok 6274
179: ok 6275
179: ok 6276
179: ok 6277
179: ok 6278
179: ok 6279
179: ok 6280
179: ok 6281
179: ok 6282
179: ok 6283
179: ok 6284
179: ok 6285
179: ok 6286
179: ok 6287
179: ok 6288
179: ok 6289
179: ok 6290
179: ok 6291
179: ok 6292
179: ok 6293
179: ok 6294
179: ok 6295
179: ok 6296
179: ok 6297
179: ok 6298
179: ok 6299
179: ok 6300
179: ok 6301
179: ok 6302
179: ok 6303
179: ok 6304
179: ok 6305
179: ok 6306
179: ok 6307
179: ok 6308
179: ok 6309
179: ok 6310
179: ok 6311
179: ok 6312
179: ok 6313
179: ok 6314
179: ok 6315
179: ok 6316
179: ok 6317
179: ok 6318
179: ok 6319
179: ok 6320
179: ok 6321
179: ok 6322
179: ok 6323
179: ok 6324
179: ok 6325
179: ok 6326
179: ok 6327
179: ok 6328
179: ok 6329
179: ok 6330
179: ok 6331
179: ok 6332
179: ok 6333
179: ok 6334
179: ok 6335
179: ok 6336
179: ok 6337
179: ok 6338
179: ok 6339
179: ok 6340
179: ok 6341
179: ok 6342
179: ok 6343
179: ok 6344
179: ok 6345
179: ok 6346
179: ok 6347
179: ok 6348
179: ok 6349
179: ok 6350
179: ok 6351
179: ok 6352
179: ok 6353
179: ok 6354
179: ok 6355
179: ok 6356
179: ok 6357
179: ok 6358
179: ok 6359
179: ok 6360
179: ok 6361
179: ok 6362
179: ok 6363
179: ok 6364
179: ok 6365
179: ok 6366
179: ok 6367
179: ok 6368
179: ok 6369
179: ok 6370
179: ok 6371
179: ok 6372
179: ok 6373
179: ok 6374
179: ok 6375
179: ok 6376
179: ok 6377
179: ok 6378
179: ok 6379
179: ok 6380
179: ok 6381
179: ok 6382
179: ok 6383
179: ok 6384
179: ok 6385
179: ok 6386
179: ok 6387
179: ok 6388
179: ok 6389
179: ok 6390
179: ok 6391
179: ok 6392
179: ok 6393
179: ok 6394
179: ok 6395
179: ok 6396
179: ok 6397
179: ok 6398
179: ok 6399
179: ok 6400
179: ok 6401
179: ok 6402
179: ok 6403
179: ok 6404
179: ok 6405
179: ok 6406
179: ok 6407
179: ok 6408
179: ok 6409
179: ok 6410
179: ok 6411
179: ok 6412
179: ok 6413
179: ok 6414
179: ok 6415
179: ok 6416
179: ok 6417
179: ok 6418
179: ok 6419
179: ok 6420
179: ok 6421
179: ok 6422
179: ok 6423
179: ok 6424
179: ok 6425
179: ok 6426
179: ok 6427
179: ok 6428
179: ok 6429
179: ok 6430
179: ok 6431
179: ok 6432
179: ok 6433
179: ok 6434
179: ok 6435
179: ok 6436
179: ok 6437
179: ok 6438
179: ok 6439
179: ok 6440
179: ok 6441
179: ok 6442
179: ok 6443
179: ok 6444
179: ok 6445
179: ok 6446
179: ok 6447
179: ok 6448
179: ok 6449
179: ok 6450
179: ok 6451
179: ok 6452
179: ok 6453
179: ok 6454
179: ok 6455
179: ok 6456
179: ok 6457
179: ok 6458
179: ok 6459
179: ok 6460
179: ok 6461
179: ok 6462
179: ok 6463
179: ok 6464
179: ok 6465
179: ok 6466
179: ok 6467
179: ok 6468
179: ok 6469
179: ok 6470
179: ok 6471
179: ok 6472
179: ok 6473
179: ok 6474
179: ok 6475
179: ok 6476
179: ok 6477
179: ok 6478
179: ok 6479
179: ok 6480
179: ok 6481
179: ok 6482
179: ok 6483
179: ok 6484
179: ok 6485
179: ok 6486
179: ok 6487
179: ok 6488
179: ok 6489
179: ok 6490
179: ok 6491
179: ok 6492
179: ok 6493
179: ok 6494
179: ok 6495
179: ok 6496
179: ok 6497
179: ok 6498
179: ok 6499
179: ok 6500
179: ok 6501
179: ok 6502
179: ok 6503
179: ok 6504
179: ok 6505
179: ok 6506
179: ok 6507
179: ok 6508
179: ok 6509
179: ok 6510
179: ok 6511
179: ok 6512
179: ok 6513
179: ok 6514
179: ok 6515
179: ok 6516
179: ok 6517
179: ok 6518
179: ok 6519
179: ok 6520
179: ok 6521
179: ok 6522
179: ok 6523
179: ok 6524
179: ok 6525
179: ok 6526
179: ok 6527
179: ok 6528
179: ok 6529
179: ok 6530
179: ok 6531
179: ok 6532
179: ok 6533
179: ok 6534
179: ok 6535
179: ok 6536
179: ok 6537
179: ok 6538
179: ok 6539
179: ok 6540
179: ok 6541
179: ok 6542
179: ok 6543
179: ok 6544
179: ok 6545
179: ok 6546
179: ok 6547
179: ok 6548
179: ok 6549
179: ok 6550
179: ok 6551
179: ok 6552
179: ok 6553
179: ok 6554
179: ok 6555
179: ok 6556
179: ok 6557
179: ok 6558
179: ok 6559
179: ok 6560
179: ok 6561
179: ok 6562
179: ok 6563
179: ok 6564
179: ok 6565
179: ok 6566
179: ok 6567
179: ok 6568
179: ok 6569
179: ok 6570
179: ok 6571
179: ok 6572
179: ok 6573
179: ok 6574
179: ok 6575
179: ok 6576
179: ok 6577
179: ok 6578
179: ok 6579
179: ok 6580
179: ok 6581
179: ok 6582
179: ok 6583
179: ok 6584
179: ok 6585
179: ok 6586
179: ok 6587
179: ok 6588
179: ok 6589
179: ok 6590
179: ok 6591
179: ok 6592
179: ok 6593
179: ok 6594
179: ok 6595
179: ok 6596
179: ok 6597
179: ok 6598
179: ok 6599
179: ok 6600
179: ok 6601
179: ok 6602
179: ok 6603
179: ok 6604
179: ok 6605
179: ok 6606
179: ok 6607
179: ok 6608
179: ok 6609
179: ok 6610
179: ok 6611
179: ok 6612
179: ok 6613
179: ok 6614
179: ok 6615
179: ok 6616
179: ok 6617
179: ok 6618
179: ok 6619
179: ok 6620
179: ok 6621
179: ok 6622
179: ok 6623
179: ok 6624
179: ok 6625
179: ok 6626
179: ok 6627
179: ok 6628
179: ok 6629
179: ok 6630
179: ok 6631
179: ok 6632
179: ok 6633
179: ok 6634
179: ok 6635
179: ok 6636
179: ok 6637
179: ok 6638
179: ok 6639
179: ok 6640
179: ok 6641
179: ok 6642
179: ok 6643
179: ok 6644
179: ok 6645
179: ok 6646
179: ok 6647
179: ok 6648
179: ok 6649
179: ok 6650
179: ok 6651
179: ok 6652
179: ok 6653
179: ok 6654
179: ok 6655
179: ok 6656
179: ok 6657
179: ok 6658
179: ok 6659
179: ok 6660
179: ok 6661
179: ok 6662
179: ok 6663
179: ok 6664
179: ok 6665
179: ok 6666
179: ok 6667
179: ok 6668
179: ok 6669
179: ok 6670
179: ok 6671
179: ok 6672
179: ok 6673
179: ok 6674
179: ok 6675
179: ok 6676
179: ok 6677
179: ok 6678
179: ok 6679
179: ok 6680
179: ok 6681
179: ok 6682
179: ok 6683
179: ok 6684
179: ok 6685
179: ok 6686
179: ok 6687
179: ok 6688
179: ok 6689
179: ok 6690
179: ok 6691
179: ok 6692
179: ok 6693
179: ok 6694
179: ok 6695
179: ok 6696
179: ok 6697
179: ok 6698
179: ok 6699
179: ok 6700
179: ok 6701
179: ok 6702
179: ok 6703
179: ok 6704
179: ok 6705
179: ok 6706
179: ok 6707
179: ok 6708
179: ok 6709
179: ok 6710
179: ok 6711
179: ok 6712
179: ok 6713
179: ok 6714
179: ok 6715
179: ok 6716
179: ok 6717
179: ok 6718
179: ok 6719
179: ok 6720
179: ok 6721
179: ok 6722
179: ok 6723
179: ok 6724
179: ok 6725
179: ok 6726
179: ok 6727
179: ok 6728
179: ok 6729
179: ok 6730
179: ok 6731
179: ok 6732
179: ok 6733
179: ok 6734
179: ok 6735
179: ok 6736
179: ok 6737
179: ok 6738
179: ok 6739
179: ok 6740
179: ok 6741
179: ok 6742
179: ok 6743
179: ok 6744
179: ok 6745
179: ok 6746
179: ok 6747
179: ok 6748
179: ok 6749
179: ok 6750
179: ok 6751
179: ok 6752
179: ok 6753
179: ok 6754
179: ok 6755
179: ok 6756
179: ok 6757
179: ok 6758
179: ok 6759
179: ok 6760
179: ok 6761
179: ok 6762
179: ok 6763
179: ok 6764
179: ok 6765
179: ok 6766
179: ok 6767
179: ok 6768
179: ok 6769
179: ok 6770
179: ok 6771
179: ok 6772
179: ok 6773
179: ok 6774
179: ok 6775
179: ok 6776
179: ok 6777
179: ok 6778
179: ok 6779
179: ok 6780
179: ok 6781
179: ok 6782
179: ok 6783
179: ok 6784
179: ok 6785
179: ok 6786
179: ok 6787
179: ok 6788
179: ok 6789
179: ok 6790
179: ok 6791
179: ok 6792
179: ok 6793
179: ok 6794
179: ok 6795
179: ok 6796
179: ok 6797
179: ok 6798
179: ok 6799
179: ok 6800
179: ok 6801
179: ok 6802
179: ok 6803
179: ok 6804
179: ok 6805
179: ok 6806
179: ok 6807
179: ok 6808
179: ok 6809
179: ok 6810
179: ok 6811
179: ok 6812
179: ok 6813
179: ok 6814
179: ok 6815
179: ok 6816
179: ok 6817
179: ok 6818
179: ok 6819
179: ok 6820
179: ok 6821
179: ok 6822
179: ok 6823
179: ok 6824
179: ok 6825
179: ok 6826
179: ok 6827
179: ok 6828
179: ok 6829
179: ok 6830
179: ok 6831
179: ok 6832
179: ok 6833
179: ok 6834
179: ok 6835
179: ok 6836
179: ok 6837
179: ok 6838
179: ok 6839
179: ok 6840
179: ok 6841
179: ok 6842
179: ok 6843
179: ok 6844
179: ok 6845
179: ok 6846
179: ok 6847
179: ok 6848
179: ok 6849
179: ok 6850
179: ok 6851
179: ok 6852
179: ok 6853
179: ok 6854
179: ok 6855
179: ok 6856
179: ok 6857
179: ok 6858
179: ok 6859
179: ok 6860
179: ok 6861
179: ok 6862
179: ok 6863
179: ok 6864
179: ok 6865
179: ok 6866
179: ok 6867
179: ok 6868
179: ok 6869
179: ok 6870
179: ok 6871
179: ok 6872
179: ok 6873
179: ok 6874
179: ok 6875
179: ok 6876
179: ok 6877
179: ok 6878
179: ok 6879
179: ok 6880
179: ok 6881
179: ok 6882
179: ok 6883
179: ok 6884
179: ok 6885
179: ok 6886
179: ok 6887
179: ok 6888
179: ok 6889
179: ok 6890
179: ok 6891
179: ok 6892
179: ok 6893
179: ok 6894
179: ok 6895
179: ok 6896
179: ok 6897
179: ok 6898
179: ok 6899
179: ok 6900
179: ok 6901
179: ok 6902
179: ok 6903
179: ok 6904
179: ok 6905
179: ok 6906
179: ok 6907
179: ok 6908
179: ok 6909
179: ok 6910
179: ok 6911
179: ok 6912
179: ok 6913
179: ok 6914
179: ok 6915
179: ok 6916
179: ok 6917
179: ok 6918
179: ok 6919
179: ok 6920
179: ok 6921
179: ok 6922
179: ok 6923
179: ok 6924
179: ok 6925
179: ok 6926
179: ok 6927
179: ok 6928
179: ok 6929
179: ok 6930
179: ok 6931
179: ok 6932
179: ok 6933
179: ok 6934
179: ok 6935
179: ok 6936
179: ok 6937
179: ok 6938
179: ok 6939
179: ok 6940
179: ok 6941
179: ok 6942
179: ok 6943
179: ok 6944
179: ok 6945
179: ok 6946
179: ok 6947
179: ok 6948
179: ok 6949
179: ok 6950
179: ok 6951
179: ok 6952
179: ok 6953
179: ok 6954
179: ok 6955
179: ok 6956
179: ok 6957
179: ok 6958
179: ok 6959
179: ok 6960
179: ok 6961
179: ok 6962
179: ok 6963
179: ok 6964
179: ok 6965
179: ok 6966
179: ok 6967
179: ok 6968
179: ok 6969
179: ok 6970
179: ok 6971
179: ok 6972
179: ok 6973
179: ok 6974
179: ok 6975
179: ok 6976
179: ok 6977
179: ok 6978
179: ok 6979
179: ok 6980
179: ok 6981
179: ok 6982
179: ok 6983
179: ok 6984
179: ok 6985
179: ok 6986
179: ok 6987
179: ok 6988
179: ok 6989
179: ok 6990
179: ok 6991
179: ok 6992
179: ok 6993
179: ok 6994
179: ok 6995
179: ok 6996
179: ok 6997
179: ok 6998
179: ok 6999
179: ok 7000
179: ok 7001
179: ok 7002
179: ok 7003
179: ok 7004
179: ok 7005
179: ok 7006
179: ok 7007
179: ok 7008
179: ok 7009
179: ok 7010
179: ok 7011
179: ok 7012
179: ok 7013
179: ok 7014
179: ok 7015
179: ok 7016
179: ok 7017
179: ok 7018
179: ok 7019
179: ok 7020
179: ok 7021
179: ok 7022
179: ok 7023
179: ok 7024
179: ok 7025
179: ok 7026
179: ok 7027
179: ok 7028
179: ok 7029
179: ok 7030
179: ok 7031
179: ok 7032
179: ok 7033
179: ok 7034
179: ok 7035
179: ok 7036
179: ok 7037
179: ok 7038
179: ok 7039
179: ok 7040
179: ok 7041
179: ok 7042
179: ok 7043
179: ok 7044
179: ok 7045
179: ok 7046
179: ok 7047
179: ok 7048
179: ok 7049
179: ok 7050
179: ok 7051
179: ok 7052
179: ok 7053
179: ok 7054
179: ok 7055
179: ok 7056
179: ok 7057
179: ok 7058
179: ok 7059
179: ok 7060
179: ok 7061
179: ok 7062
179: ok 7063
179: ok 7064
179: ok 7065
179: ok 7066
179: ok 7067
179: ok 7068
179: ok 7069
179: ok 7070
179: ok 7071
179: ok 7072
179: ok 7073
179: ok 7074
179: ok 7075
179: ok 7076
179: ok 7077
179: ok 7078
179: ok 7079
179: ok 7080
179: ok 7081
179: ok 7082
179: ok 7083
179: ok 7084
179: ok 7085
179: ok 7086
179: ok 7087
179: ok 7088
179: ok 7089
179: ok 7090
179: ok 7091
179: ok 7092
179: ok 7093
179: ok 7094
179: ok 7095
179: ok 7096
179: ok 7097
179: ok 7098
179: ok 7099
179: ok 7100
179: ok 7101
179: ok 7102
179: ok 7103
179: ok 7104
179: ok 7105
179: ok 7106
179: ok 7107
179: ok 7108
179: ok 7109
179: ok 7110
179: ok 7111
179: ok 7112
179: ok 7113
179: ok 7114
179: ok 7115
179: ok 7116
179: ok 7117
179: ok 7118
179: ok 7119
179: ok 7120
179: ok 7121
179: ok 7122
179: ok 7123
179: ok 7124
179: ok 7125
179: ok 7126
179: ok 7127
179: ok 7128
179: ok 7129
179: ok 7130
179: ok 7131
179: ok 7132
179: ok 7133
179: ok 7134
179: ok 7135
179: ok 7136
179: ok 7137
179: ok 7138
179: ok 7139
179: ok 7140
179: ok 7141
179: ok 7142
179: ok 7143
179: ok 7144
179: ok 7145
179: ok 7146
179: ok 7147
179: ok 7148
179: ok 7149
179: ok 7150
179: ok 7151
179: ok 7152
179: ok 7153
179: ok 7154
179: ok 7155
179: ok 7156
179: ok 7157
179: ok 7158
179: ok 7159
179: ok 7160
179: ok 7161
179: ok 7162
179: ok 7163
179: ok 7164
179: ok 7165
179: ok 7166
179: ok 7167
179: ok 7168
179: ok 7169
179: ok 7170
179: ok 7171
179: ok 7172
179: ok 7173
179: ok 7174
179: ok 7175
179: ok 7176
179: ok 7177
179: ok 7178
179: ok 7179
179: ok 7180
179: ok 7181
179: ok 7182
179: ok 7183
179: ok 7184
179: ok 7185
179: ok 7186
179: ok 7187
179: ok 7188
179: ok 7189
179: ok 7190
179: ok 7191
179: ok 7192
179: ok 7193
179: ok 7194
179: ok 7195
179: ok 7196
179: ok 7197
179: ok 7198
179: ok 7199
179: ok 7200
179: ok 7201
179: ok 7202
179: ok 7203
179: ok 7204
179: ok 7205
179: ok 7206
179: ok 7207
179: ok 7208
179: ok 7209
179: ok 7210
179: ok 7211
179: ok 7212
179: ok 7213
179: ok 7214
179: ok 7215
179: ok 7216
179: ok 7217
179: ok 7218
179: ok 7219
179: ok 7220
179: ok 7221
179: ok 7222
179: ok 7223
179: ok 7224
179: ok 7225
179: ok 7226
179: ok 7227
179: ok 7228
179: ok 7229
179: ok 7230
179: ok 7231
179: ok 7232
179: ok 7233
179: ok 7234
179: ok 7235
179: ok 7236
179: ok 7237
179: ok 7238
179: ok 7239
179: ok 7240
179: ok 7241
179: ok 7242
179: ok 7243
179: ok 7244
179: ok 7245
179: ok 7246
179: ok 7247
179: ok 7248
179: ok 7249
179: ok 7250
179: ok 7251
179: ok 7252
179: ok 7253
179: ok 7254
179: ok 7255
179: ok 7256
179: ok 7257
179: ok 7258
179: ok 7259
179: ok 7260
179: ok 7261
179: ok 7262
179: ok 7263
179: ok 7264
179: ok 7265
179: ok 7266
179: ok 7267
179: ok 7268
179: ok 7269
179: ok 7270
179: ok 7271
179: ok 7272
179: ok 7273
179: ok 7274
179: ok 7275
179: ok 7276
179: ok 7277
179: ok 7278
179: ok 7279
179: ok 7280
179: ok 7281
179: ok 7282
179: ok 7283
179: ok 7284
179: ok 7285
179: ok 7286
179: ok 7287
179: ok 7288
179: ok 7289
179: ok 7290
179: ok 7291
179: ok 7292
179: ok 7293
179: ok 7294
179: ok 7295
179: ok 7296
179: ok 7297
179: ok 7298
179: ok 7299
179: ok 7300
179: ok 7301
179: ok 7302
179: ok 7303
179: ok 7304
179: ok 7305
179: ok 7306
179: ok 7307
179: ok 7308
179: ok 7309
179: ok 7310
179: ok 7311
179: ok 7312
179: ok 7313
179: ok 7314
179: ok 7315
179: ok 7316
179: ok 7317
179: ok 7318
179: ok 7319
179: ok 7320
179: ok 7321
179: ok 7322
179: ok 7323
179: ok 7324
179: ok 7325
179: ok 7326
179: ok 7327
179: ok 7328
179: ok 7329
179: ok 7330
179: ok 7331
179: ok 7332
179: ok 7333
179: ok 7334
179: ok 7335
179: ok 7336
179: ok 7337
179: ok 7338
179: ok 7339
179: ok 7340
179: ok 7341
179: ok 7342
179: ok 7343
179: ok 7344
179: ok 7345
179: ok 7346
179: ok 7347
179: ok 7348
179: ok 7349
179: ok 7350
179: ok 7351
179: ok 7352
179: ok 7353
179: ok 7354
179: ok 7355
179: ok 7356
179: ok 7357
179: ok 7358
179: ok 7359
179: ok 7360
179: ok 7361
179: ok 7362
179: ok 7363
179: ok 7364
179: ok 7365
179: ok 7366
179: ok 7367
179: ok 7368
179: ok 7369
179: ok 7370
179: ok 7371
179: ok 7372
179: ok 7373
179: ok 7374
179: ok 7375
179: ok 7376
179: ok 7377
179: ok 7378
179: ok 7379
179: ok 7380
179: ok 7381
179: ok 7382
179: ok 7383
179: ok 7384
179: ok 7385
179: ok 7386
179: ok 7387
179: ok 7388
179: ok 7389
179: ok 7390
179: ok 7391
179: ok 7392
179: ok 7393
179: ok 7394
179: ok 7395
179: ok 7396
179: ok 7397
179: ok 7398
179: ok 7399
179: ok 7400
179: ok 7401
179: ok 7402
179: ok 7403
179: ok 7404
179: ok 7405
179: ok 7406
179: ok 7407
179: ok 7408
179: ok 7409
179: ok 7410
179: ok 7411
179: ok 7412
179: ok 7413
179: ok 7414
179: ok 7415
179: ok 7416
179: ok 7417
179: ok 7418
179: ok 7419
179: ok 7420
179: ok 7421
179: ok 7422
179: ok 7423
179: ok 7424
179: ok 7425
179: ok 7426
179: ok 7427
179: ok 7428
179: ok 7429
179: ok 7430
179: ok 7431
179: ok 7432
179: ok 7433
179: ok 7434
179: ok 7435
179: ok 7436
179: ok 7437
179: ok 7438
179: ok 7439
179: ok 7440
179: ok 7441
179: ok 7442
179: ok 7443
179: ok 7444
179: ok 7445
179: ok 7446
179: ok 7447
179: ok 7448
179: ok 7449
179: ok 7450
179: ok 7451
179: ok 7452
179: ok 7453
179: ok 7454
179: ok 7455
179: ok 7456
179: ok 7457
179: ok 7458
179: ok 7459
179: ok 7460
179: ok 7461
179: ok 7462
179: ok 7463
179: ok 7464
179: ok 7465
179: ok 7466
179: ok 7467
179: ok 7468
179: ok 7469
179: ok 7470
179: ok 7471
179: ok 7472
179: ok 7473
179: ok 7474
179: ok 7475
179: ok 7476
179: ok 7477
179: ok 7478
179: ok 7479
179: ok 7480
179: ok 7481
179: ok 7482
179: ok 7483
179: ok 7484
179: ok 7485
179: ok 7486
179: ok 7487
179: ok 7488
179: ok 7489
179: ok 7490
179: ok 7491
179: ok 7492
179: ok 7493
179: ok 7494
179: ok 7495
179: ok 7496
179: ok 7497
179: ok 7498
179: ok 7499
179: ok 7500
179: ok 7501
179: ok 7502
179: ok 7503
179: ok 7504
179: ok 7505
179: ok 7506
179: ok 7507
179: ok 7508
179: ok 7509
179: ok 7510
179: ok 7511
179: ok 7512
179: ok 7513
179: ok 7514
179: ok 7515
179: ok 7516
179: ok 7517
179: ok 7518
179: ok 7519
179: ok 7520
179: ok 7521
179: ok 7522
179: ok 7523
179: ok 7524
179: ok 7525
179: ok 7526
179: ok 7527
179: ok 7528
179: ok 7529
179: ok 7530
179: ok 7531
179: ok 7532
179: ok 7533
179: ok 7534
179: ok 7535
179: ok 7536
179: ok 7537
179: ok 7538
179: ok 7539
179: ok 7540
179: ok 7541
179: ok 7542
179: ok 7543
179: ok 7544
179: ok 7545
179: ok 7546
179: ok 7547
179: ok 7548
179: ok 7549
179: ok 7550
179: ok 7551
179: ok 7552
179: ok 7553
179: ok 7554
179: ok 7555
179: ok 7556
179: ok 7557
179: ok 7558
179: ok 7559
179: ok 7560
179: ok 7561
179: ok 7562
179: ok 7563
179: ok 7564
179: ok 7565
179: ok 7566
179: ok 7567
179: ok 7568
179: ok 7569
179: ok 7570
179: ok 7571
179: ok 7572
179: ok 7573
179: ok 7574
179: ok 7575
179: ok 7576
179: ok 7577
179: ok 7578
179: ok 7579
179: ok 7580
179: ok 7581
179: ok 7582
179: ok 7583
179: ok 7584
179: ok 7585
179: ok 7586
179: ok 7587
179: ok 7588
179: ok 7589
179: ok 7590
179: ok 7591
179: ok 7592
179: ok 7593
179: ok 7594
179: ok 7595
179: ok 7596
179: ok 7597
179: ok 7598
179: ok 7599
179: ok 7600
179: ok 7601
179: ok 7602
179: ok 7603
179: ok 7604
179: ok 7605
179: ok 7606
179: ok 7607
179: ok 7608
179: ok 7609
179: ok 7610
179: ok 7611
179: ok 7612
179: ok 7613
179: ok 7614
179: ok 7615
179: ok 7616
179: ok 7617
179: ok 7618
179: ok 7619
179: ok 7620
179: ok 7621
179: ok 7622
179: ok 7623
179: ok 7624
179: ok 7625
179: ok 7626
179: ok 7627
179: ok 7628
179: ok 7629
179: ok 7630
179: ok 7631
179: ok 7632
179: ok 7633
179: ok 7634
179: ok 7635
179: ok 7636
179: ok 7637
179: ok 7638
179: ok 7639
179: ok 7640
179: ok 7641
179: ok 7642
179: ok 7643
179: ok 7644
179: ok 7645
179: ok 7646
179: ok 7647
179: ok 7648
179: ok 7649
179: ok 7650
179: ok 7651
179: ok 7652
179: ok 7653
179: ok 7654
179: ok 7655
179: ok 7656
179: ok 7657
179: ok 7658
179: ok 7659
179: ok 7660
179: ok 7661
179: ok 7662
179: ok 7663
179: ok 7664
179: ok 7665
179: ok 7666
179: ok 7667
179: ok 7668
179: ok 7669
179: ok 7670
179: ok 7671
179: ok 7672
179: ok 7673
179: ok 7674
179: ok 7675
179: ok 7676
179: ok 7677
179: ok 7678
179: ok 7679
179: ok 7680
179: ok 7681
179: ok 7682
179: ok 7683
179: ok 7684
179: ok 7685
179: ok 7686
179: ok 7687
179: ok 7688
179: ok 7689
179: ok 7690
179: ok 7691
179: ok 7692
179: ok 7693
179: ok 7694
179: ok 7695
179: ok 7696
179: ok 7697
179: ok 7698
179: ok 7699
179: ok 7700
179: ok 7701
179: ok 7702
179: ok 7703
179: ok 7704
179: ok 7705
179: ok 7706
179: ok 7707
179: ok 7708
179: ok 7709
179: ok 7710
179: ok 7711
179: ok 7712
179: ok 7713
179: ok 7714
179: ok 7715
179: ok 7716
179: ok 7717
179: ok 7718
179: ok 7719
179: ok 7720
179: ok 7721
179: ok 7722
179: ok 7723
179: ok 7724
179: ok 7725
179: ok 7726
179: ok 7727
179: ok 7728
179: ok 7729
179: ok 7730
179: ok 7731
179: ok 7732
179: ok 7733
179: ok 7734
179: ok 7735
179: ok 7736
179: ok 7737
179: ok 7738
179: ok 7739
179: ok 7740
179: ok 7741
179: ok 7742
179: ok 7743
179: ok 7744
179: ok 7745
179: ok 7746
179: ok 7747
179: ok 7748
179: ok 7749
179: ok 7750
179: ok 7751
179: ok 7752
179: ok 7753
179: ok 7754
179: ok 7755
179: ok 7756
179: ok 7757
179: ok 7758
179: ok 7759
179: ok 7760
179: ok 7761
179: ok 7762
179: ok 7763
179: ok 7764
179: ok 7765
179: ok 7766
179: ok 7767
179: ok 7768
179: ok 7769
179: ok 7770
179: ok 7771
179: ok 7772
179: ok 7773
179: ok 7774
179: ok 7775
179: ok 7776
179: ok 7777
179: ok 7778
179: ok 7779
179: ok 7780
179: ok 7781
179: ok 7782
179: ok 7783
179: ok 7784
179: ok 7785
179: ok 7786
179: ok 7787
179: ok 7788
179: ok 7789
179: ok 7790
179: ok 7791
179: ok 7792
179: ok 7793
179: ok 7794
179: ok 7795
179: ok 7796
179: ok 7797
179: ok 7798
179: ok 7799
179: ok 7800
179: ok 7801
179: ok 7802
179: ok 7803
179: ok 7804
179: ok 7805
179: ok 7806
179: ok 7807
179: ok 7808
179: ok 7809
179: ok 7810
179: ok 7811
179: ok 7812
179: ok 7813
179: ok 7814
179: ok 7815
179: ok 7816
179: ok 7817
179: ok 7818
180: # math: repeating each test 1000 times
180: # Testing MMFF94 Force Field...
180: # math: entering testArithmeticOperators
180: ok 1
180: ok 2
180: ok 3
180: ok 4
180: ok 5
180: ok 6
180: ok 7
180: ok 8
180: ok 9
180: ok 10
180: ok 11
180: ok 12
180: ok 13
180: ok 14
180: ok 15
180: ok 16
180: ok 17
180: ok 18
180: ok 19
180: ok 20
180: ok 21
180: ok 22
180: ok 23
180: ok 24
180: ok 25
180: ok 26
180: ok 27
180: ok 28
180: ok 29
180: ok 30
180: ok 31
180: ok 32
180: ok 33
180: ok 34
180: ok 35
180: ok 36
180: ok 37
180: ok 38
180: ok 39
180: ok 40
180: ok 41
180: ok 42
180: ok 43
180: ok 44
180: ok 45
180: ok 46
180: ok 47
180: ok 48
180: ok 49
180: ok 50
180: ok 51
180: ok 52
180: ok 53
180: ok 54
180: ok 55
180: ok 56
180: ok 57
180: ok 58
180: ok 59
180: ok 60
180: ok 61
180: ok 62
180: ok 63
180: ok 64
180: ok 65
180: ok 66
180: ok 67
180: ok 68
180: ok 69
180: ok 70
180: ok 71
180: ok 72
180: ok 73
180: ok 74
180: ok 75
180: ok 76
180: ok 77
180: ok 78
180: ok 79
180: ok 80
180: ok 81
180: ok 82
180: ok 83
180: ok 84
180: ok 85
180: ok 86
180: ok 87
180: ok 88
180: ok 89
180: ok 90
180: ok 91
180: ok 92
180: ok 93
180: ok 94
180: ok 95
180: ok 96
180: ok 97
180: ok 98
180: ok 99
180: ok 100
180: ok 101
180: ok 102
180: ok 103
180: ok 104
180: ok 105
180: ok 106
180: ok 107
180: ok 108
180: ok 109
180: ok 110
180: ok 111
180: ok 112
180: ok 113
180: ok 114
180: ok 115
180: ok 116
180: ok 117
180: ok 118
180: ok 119
180: ok 120
180: ok 121
180: ok 122
180: ok 123
180: ok 124
180: ok 125
180: ok 126
180: ok 127
180: ok 128
180: ok 129
180: ok 130
180: ok 131
180: ok 132
180: ok 133
180: ok 134
180: ok 135
180: ok 136
180: ok 137
180: ok 138
180: ok 139
180: ok 140
180: ok 141
180: ok 142
180: ok 143
180: ok 144
180: ok 145
180: ok 146
180: ok 147
180: ok 148
180: ok 149
180: ok 150
180: ok 151
180: ok 152
180: ok 153
180: ok 154
180: ok 155
180: ok 156
180: ok 157
180: ok 158
180: ok 159
180: ok 160
180: ok 161
180: ok 162
180: ok 163
180: ok 164
180: ok 165
180: ok 166
180: ok 167
180: ok 168
180: ok 169
180: ok 170
180: ok 171
180: ok 172
180: ok 173
180: ok 174
180: ok 175
180: ok 176
180: ok 177
180: ok 178
180: ok 179
180: ok 180
180: ok 181
180: ok 182
180: ok 183
180: ok 184
180: ok 185
180: ok 186
180: ok 187
180: ok 188
180: ok 189
180: ok 190
180: ok 191
180: ok 192
180: ok 193
180: ok 194
180: ok 195
180: ok 196
180: ok 197
180: ok 198
180: ok 199
180: ok 200
180: ok 201
180: ok 202
180: ok 203
180: ok 204
180: ok 205
180: ok 206
180: ok 207
180: ok 208
180: ok 209
180: ok 210
180: ok 211
180: ok 212
180: ok 213
180: ok 214
180: ok 215
180: ok 216
180: ok 217
180: ok 218
180: ok 219
180: ok 220
180: ok 221
180: ok 222
180: ok 223
180: ok 224
180: ok 225
180: ok 226
180: ok 227
180: ok 228
180: ok 229
180: ok 230
180: ok 231
180: ok 232
180: ok 233
180: ok 234
180: ok 235
180: ok 236
180: ok 237
180: ok 238
180: ok 239
180: ok 240
180: ok 241
180: ok 242
180: ok 243
180: ok 244
180: ok 245
180: ok 246
180: ok 247
180: ok 248
180: ok 249
180: ok 250
180: ok 251
180: ok 252
180: ok 253
180: ok 254
180: ok 255
180: ok 256
180: ok 257
180: ok 258
180: ok 259
180: ok 260
180: ok 261
180: ok 262
180: ok 263
180: ok 264
180: ok 265
180: ok 266
180: ok 267
180: ok 268
180: ok 269
180: ok 270
180: ok 271
180: ok 272
180: ok 273
180: ok 274
180: ok 275
180: ok 276
180: ok 277
180: ok 278
180: ok 279
180: ok 280
180: ok 281
180: ok 282
180: ok 283
180: ok 284
180: ok 285
180: ok 286
180: ok 287
180: ok 288
180: ok 289
180: ok 290
180: ok 291
180: ok 292
180: ok 293
180: ok 294
180: ok 295
180: ok 296
180: ok 297
180: ok 298
180: ok 299
180: ok 300
180: ok 301
180: ok 302
180: ok 303
180: ok 304
180: ok 305
180: ok 306
180: ok 307
180: ok 308
180: ok 309
180: ok 310
180: ok 311
180: ok 312
180: ok 313
180: ok 314
180: ok 315
180: ok 316
180: ok 317
180: ok 318
180: ok 319
180: ok 320
180: ok 321
180: ok 322
180: ok 323
180: ok 324
180: ok 325
180: ok 326
180: ok 327
180: ok 328
180: ok 329
180: ok 330
180: ok 331
180: ok 332
180: ok 333
180: ok 334
180: ok 335
180: ok 336
180: ok 337
180: ok 338
180: ok 339
180: ok 340
180: ok 341
180: ok 342
180: ok 343
180: ok 344
180: ok 345
180: ok 346
180: ok 347
180: ok 348
180: ok 349
180: ok 350
180: ok 351
180: ok 352
180: ok 353
180: ok 354
180: ok 355
180: ok 356
180: ok 357
180: ok 358
180: ok 359
180: ok 360
180: ok 361
180: ok 362
180: ok 363
180: ok 364
180: ok 365
180: ok 366
180: ok 367
180: ok 368
180: ok 369
180: ok 370
180: ok 371
180: ok 372
180: ok 373
180: ok 374
180: ok 375
180: ok 376
180: ok 377
180: ok 378
180: ok 379
180: ok 380
180: ok 381
180: ok 382
180: ok 383
180: ok 384
180: ok 385
180: ok 386
180: ok 387
180: ok 388
180: ok 389
180: ok 390
180: ok 391
180: ok 392
180: ok 393
180: ok 394
180: ok 395
180: ok 396
180: ok 397
180: ok 398
180: ok 399
180: ok 400
180: ok 401
180: ok 402
180: ok 403
180: ok 404
180: ok 405
180: ok 406
180: ok 407
180: ok 408
180: ok 409
180: ok 410
180: ok 411
180: ok 412
180: ok 413
180: ok 414
180: ok 415
180: ok 416
180: ok 417
180: ok 418
180: ok 419
180: ok 420
180: ok 421
180: ok 422
180: ok 423
180: ok 424
180: ok 425
180: ok 426
180: ok 427
180: ok 428
180: ok 429
180: ok 430
180: ok 431
180: ok 432
180: ok 433
180: ok 434
180: ok 435
180: ok 436
180: ok 437
180: ok 438
180: ok 439
180: ok 440
180: ok 441
180: ok 442
180: ok 443
180: ok 444
180: ok 445
180: ok 446
180: ok 447
180: ok 448
180: ok 449
180: ok 450
180: ok 451
180: ok 452
180: ok 453
180: ok 454
180: ok 455
180: ok 456
180: ok 457
180: ok 458
180: ok 459
180: ok 460
180: ok 461
180: ok 462
180: ok 463
180: ok 464
180: ok 465
180: ok 466
180: ok 467
180: ok 468
180: ok 469
180: ok 470
180: ok 471
180: ok 472
180: ok 473
180: ok 474
180: ok 475
180: ok 476
180: ok 477
180: ok 478
180: ok 479
180: ok 480
180: ok 481
180: ok 482
180: ok 483
180: ok 484
180: ok 485
180: ok 486
180: ok 487
180: ok 488
180: ok 489
180: ok 490
180: ok 491
180: ok 492
180: ok 493
180: ok 494
180: ok 495
180: ok 496
180: ok 497
180: ok 498
180: ok 499
180: ok 500
180: ok 501
180: ok 502
180: ok 503
180: ok 504
180: ok 505
180: ok 506
180: ok 507
180: ok 508
180: ok 509
180: ok 510
180: ok 511
180: ok 512
180: ok 513
180: ok 514
180: ok 515
180: ok 516
180: ok 517
180: ok 518
180: ok 519
180: ok 520
180: ok 521
180: ok 522
180: ok 523
180: ok 524
180: ok 525
180: ok 526
180: ok 527
180: ok 528
180: ok 529
180: ok 530
180: ok 531
180: ok 532
180: ok 533
180: ok 534
180: ok 535
180: ok 536
180: ok 537
180: ok 538
180: ok 539
180: ok 540
180: ok 541
180: ok 542
180: ok 543
180: ok 544
180: ok 545
180: ok 546
180: ok 547
180: ok 548
180: ok 549
180: ok 550
180: ok 551
180: ok 552
180: ok 553
180: ok 554
180: ok 555
180: ok 556
180: ok 557
180: ok 558
180: ok 559
180: ok 560
180: ok 561
180: ok 562
180: ok 563
180: ok 564
180: ok 565
180: ok 566
180: ok 567
180: ok 568
180: ok 569
180: ok 570
180: ok 571
180: ok 572
180: ok 573
180: ok 574
180: ok 575
180: ok 576
180: ok 577
180: ok 578
180: ok 579
180: ok 580
180: ok 581
180: ok 582
180: ok 583
180: ok 584
180: ok 585
180: ok 586
180: ok 587
180: ok 588
180: ok 589
180: ok 590
180: ok 591
180: ok 592
180: ok 593
180: ok 594
180: ok 595
180: ok 596
180: ok 597
180: ok 598
180: ok 599
180: ok 600
180: ok 601
180: ok 602
180: ok 603
180: ok 604
180: ok 605
180: ok 606
180: ok 607
180: ok 608
180: ok 609
180: ok 610
180: ok 611
180: ok 612
180: ok 613
180: ok 614
180: ok 615
180: ok 616
180: ok 617
180: ok 618
180: ok 619
180: ok 620
180: ok 621
180: ok 622
180: ok 623
180: ok 624
180: ok 625
180: ok 626
180: ok 627
180: ok 628
180: ok 629
180: ok 630
180: ok 631
180: ok 632
180: ok 633
180: ok 634
180: ok 635
180: ok 636
180: ok 637
180: ok 638
180: ok 639
180: ok 640
180: ok 641
180: ok 642
180: ok 643
180: ok 644
180: ok 645
180: ok 646
180: ok 647
180: ok 648
180: ok 649
180: ok 650
180: ok 651
180: ok 652
180: ok 653
180: ok 654
180: ok 655
180: ok 656
180: ok 657
180: ok 658
180: ok 659
180: ok 660
180: ok 661
180: ok 662
180: ok 663
180: ok 664
180: ok 665
180: ok 666
180: ok 667
180: ok 668
180: ok 669
180: ok 670
180: ok 671
180: ok 672
180: ok 673
180: ok 674
180: ok 675
180: ok 676
180: ok 677
180: ok 678
180: ok 679
180: ok 680
180: ok 681
180: ok 682
180: ok 683
180: ok 684
180: ok 685
180: ok 686
180: ok 687
180: ok 688
180: ok 689
180: ok 690
180: ok 691
180: ok 692
180: ok 693
180: ok 694
180: ok 695
180: ok 696
180: ok 697
180: ok 698
180: ok 699
180: ok 700
180: ok 701
180: ok 702
180: ok 703
180: ok 704
180: ok 705
180: ok 706
180: ok 707
180: ok 708
180: ok 709
180: ok 710
180: ok 711
180: ok 712
180: ok 713
180: ok 714
180: ok 715
180: ok 716
180: ok 717
180: ok 718
180: ok 719
180: ok 720
180: ok 721
180: ok 722
180: ok 723
180: ok 724
180: ok 725
180: ok 726
180: ok 727
180: ok 728
180: ok 729
180: ok 730
180: ok 731
180: ok 732
180: ok 733
180: ok 734
180: ok 735
180: ok 736
180: ok 737
180: ok 738
180: ok 739
180: ok 740
180: ok 741
180: ok 742
180: ok 743
180: ok 744
180: ok 745
180: ok 746
180: ok 747
180: ok 748
180: ok 749
180: ok 750
180: ok 751
180: ok 752
180: ok 753
180: ok 754
180: ok 755
180: ok 756
180: ok 757
180: ok 758
180: ok 759
180: ok 760
180: ok 761
180: ok 762
180: ok 763
180: ok 764
180: ok 765
180: ok 766
180: ok 767
180: ok 768
180: ok 769
180: ok 770
180: ok 771
180: ok 772
180: ok 773
180: ok 774
180: ok 775
180: ok 776
180: ok 777
180: ok 778
180: ok 779
180: ok 780
180: ok 781
180: ok 782
180: ok 783
180: ok 784
180: ok 785
180: ok 786
180: ok 787
180: ok 788
180: ok 789
180: ok 790
180: ok 791
180: ok 792
180: ok 793
180: ok 794
180: ok 795
180: ok 796
180: ok 797
180: ok 798
180: ok 799
180: ok 800
180: ok 801
180: ok 802
180: ok 803
180: ok 804
180: ok 805
180: ok 806
180: ok 807
180: ok 808
180: ok 809
180: ok 810
180: ok 811
180: ok 812
180: ok 813
180: ok 814
180: ok 815
180: ok 816
180: ok 817
180: ok 818
180: ok 819
180: ok 820
180: ok 821
180: ok 822
180: ok 823
180: ok 824
180: ok 825
180: ok 826
180: ok 827
180: ok 828
180: ok 829
180: ok 830
180: ok 831
180: ok 832
180: ok 833
180: ok 834
180: ok 835
180: ok 836
180: ok 837
180: ok 838
180: ok 839
180: ok 840
180: ok 841
180: ok 842
180: ok 843
180: ok 844
180: ok 845
180: ok 846
180: ok 847
180: ok 848
180: ok 849
180: ok 850
180: ok 851
180: ok 852
180: ok 853
180: ok 854
180: ok 855
180: ok 856
180: ok 857
180: ok 858
180: ok 859
180: ok 860
180: ok 861
180: ok 862
180: ok 863
180: ok 864
180: ok 865
180: ok 866
180: ok 867
180: ok 868
180: ok 869
180: ok 870
180: ok 871
180: ok 872
180: ok 873
180: ok 874
180: ok 875
180: ok 876
180: ok 877
180: ok 878
180: ok 879
180: ok 880
180: ok 881
180: ok 882
180: ok 883
180: ok 884
180: ok 885
180: ok 886
180: ok 887
180: ok 888
180: ok 889
180: ok 890
180: ok 891
180: ok 892
180: ok 893
180: ok 894
180: ok 895
180: ok 896
180: ok 897
180: ok 898
180: ok 899
180: ok 900
180: ok 901
180: ok 902
180: ok 903
180: ok 904
180: ok 905
180: ok 906
180: ok 907
180: ok 908
180: ok 909
180: ok 910
180: ok 911
180: ok 912
180: ok 913
180: ok 914
180: ok 915
180: ok 916
180: ok 917
180: ok 918
180: ok 919
180: ok 920
180: ok 921
180: ok 922
180: ok 923
180: ok 924
180: ok 925
180: ok 926
180: ok 927
180: ok 928
180: ok 929
180: ok 930
180: ok 931
180: ok 932
180: ok 933
180: ok 934
180: ok 935
180: ok 936
180: ok 937
180: ok 938
180: ok 939
180: ok 940
180: ok 941
180: ok 942
180: ok 943
180: ok 944
180: ok 945
180: ok 946
180: ok 947
180: ok 948
180: ok 949
180: ok 950
180: ok 951
180: ok 952
180: ok 953
180: ok 954
180: ok 955
180: ok 956
180: ok 957
180: ok 958
180: ok 959
180: ok 960
180: ok 961
180: ok 962
180: ok 963
180: ok 964
180: ok 965
180: ok 966
180: ok 967
180: ok 968
180: ok 969
180: ok 970
180: ok 971
180: ok 972
180: ok 973
180: ok 974
180: ok 975
180: ok 976
180: ok 977
180: ok 978
180: ok 979
180: ok 980
180: ok 981
180: ok 982
180: ok 983
180: ok 984
180: ok 985
180: ok 986
180: ok 987
180: ok 988
180: ok 989
180: ok 990
180: ok 991
180: ok 992
180: ok 993
180: ok 994
180: ok 995
180: ok 996
180: ok 997
180: ok 998
180: ok 999
180: ok 1000
180: ok 1001
180: ok 1002
180: ok 1003
180: ok 1004
180: ok 1005
180: ok 1006
180: ok 1007
180: ok 1008
180: ok 1009
180: ok 1010
180: ok 1011
180: ok 1012
180: ok 1013
180: ok 1014
180: ok 1015
180: ok 1016
180: ok 1017
180: ok 1018
180: ok 1019
180: ok 1020
180: ok 1021
180: ok 1022
180: ok 1023
180: ok 1024
180: ok 1025
180: ok 1026
180: ok 1027
180: ok 1028
180: ok 1029
180: ok 1030
180: ok 1031
180: ok 1032
180: ok 1033
180: ok 1034
180: ok 1035
180: ok 1036
180: ok 1037
180: ok 1038
180: ok 1039
180: ok 1040
180: ok 1041
180: ok 1042
180: ok 1043
180: ok 1044
180: ok 1045
180: ok 1046
180: ok 1047
180: ok 1048
180: ok 1049
180: ok 1050
180: ok 1051
180: ok 1052
180: ok 1053
180: ok 1054
180: ok 1055
180: ok 1056
180: ok 1057
180: ok 1058
180: ok 1059
180: ok 1060
180: ok 1061
180: ok 1062
180: ok 1063
180: ok 1064
180: ok 1065
180: ok 1066
180: ok 1067
180: ok 1068
180: ok 1069
180: ok 1070
180: ok 1071
180: ok 1072
180: ok 1073
180: ok 1074
180: ok 1075
180: ok 1076
180: ok 1077
180: ok 1078
180: ok 1079
180: ok 1080
180: ok 1081
180: ok 1082
180: ok 1083
180: ok 1084
180: ok 1085
180: ok 1086
180: ok 1087
180: ok 1088
180: ok 1089
180: ok 1090
180: ok 1091
180: ok 1092
180: ok 1093
180: ok 1094
180: ok 1095
180: ok 1096
180: ok 1097
180: ok 1098
180: ok 1099
180: ok 1100
180: ok 1101
180: ok 1102
180: ok 1103
180: ok 1104
180: ok 1105
180: ok 1106
180: ok 1107
180: ok 1108
180: ok 1109
180: ok 1110
180: ok 1111
180: ok 1112
180: ok 1113
180: ok 1114
180: ok 1115
180: ok 1116
180: ok 1117
180: ok 1118
180: ok 1119
180: ok 1120
180: ok 1121
180: ok 1122
180: ok 1123
180: ok 1124
180: ok 1125
180: ok 1126
180: ok 1127
180: ok 1128
180: ok 1129
180: ok 1130
180: ok 1131
180: ok 1132
180: ok 1133
180: ok 1134
180: ok 1135
180: ok 1136
180: ok 1137
180: ok 1138
180: ok 1139
180: ok 1140
180: ok 1141
180: ok 1142
180: ok 1143
180: ok 1144
180: ok 1145
180: ok 1146
180: ok 1147
180: ok 1148
180: ok 1149
180: ok 1150
180: ok 1151
180: ok 1152
180: ok 1153
180: ok 1154
180: ok 1155
180: ok 1156
180: ok 1157
180: ok 1158
180: ok 1159
180: ok 1160
180: ok 1161
180: ok 1162
180: ok 1163
180: ok 1164
180: ok 1165
180: ok 1166
180: ok 1167
180: ok 1168
180: ok 1169
180: ok 1170
180: ok 1171
180: ok 1172
180: ok 1173
180: ok 1174
180: ok 1175
180: ok 1176
180: ok 1177
180: ok 1178
180: ok 1179
180: ok 1180
180: ok 1181
180: ok 1182
180: ok 1183
180: ok 1184
180: ok 1185
180: ok 1186
180: ok 1187
180: ok 1188
180: ok 1189
180: ok 1190
180: ok 1191
180: ok 1192
180: ok 1193
180: ok 1194
180: ok 1195
180: ok 1196
180: ok 1197
180: ok 1198
180: ok 1199
180: ok 1200
180: ok 1201
180: ok 1202
180: ok 1203
180: ok 1204
180: ok 1205
180: ok 1206
180: ok 1207
180: ok 1208
180: ok 1209
180: ok 1210
180: ok 1211
180: ok 1212
180: ok 1213
180: ok 1214
180: ok 1215
180: ok 1216
180: ok 1217
180: ok 1218
180: ok 1219
180: ok 1220
180: ok 1221
180: ok 1222
180: ok 1223
180: ok 1224
180: ok 1225
180: ok 1226
180: ok 1227
180: ok 1228
180: ok 1229
180: ok 1230
180: ok 1231
180: ok 1232
180: ok 1233
180: ok 1234
180: ok 1235
180: ok 1236
180: ok 1237
180: ok 1238
180: ok 1239
180: ok 1240
180: ok 1241
180: ok 1242
180: ok 1243
180: ok 1244
180: ok 1245
180: ok 1246
180: ok 1247
180: ok 1248
180: ok 1249
180: ok 1250
180: ok 1251
180: ok 1252
180: ok 1253
180: ok 1254
180: ok 1255
180: ok 1256
180: ok 1257
180: ok 1258
180: ok 1259
180: ok 1260
180: ok 1261
180: ok 1262
180: ok 1263
180: ok 1264
180: ok 1265
180: ok 1266
180: ok 1267
180: ok 1268
180: ok 1269
180: ok 1270
180: ok 1271
180: ok 1272
180: ok 1273
180: ok 1274
180: ok 1275
180: ok 1276
180: ok 1277
180: ok 1278
180: ok 1279
180: ok 1280
180: ok 1281
180: ok 1282
180: ok 1283
180: ok 1284
180: ok 1285
180: ok 1286
180: ok 1287
180: ok 1288
180: ok 1289
180: ok 1290
180: ok 1291
180: ok 1292
180: ok 1293
180: ok 1294
180: ok 1295
180: ok 1296
180: ok 1297
180: ok 1298
180: ok 1299
180: ok 1300
180: ok 1301
180: ok 1302
180: ok 1303
180: ok 1304
180: ok 1305
180: ok 1306
180: ok 1307
180: ok 1308
180: ok 1309
180: ok 1310
180: ok 1311
180: ok 1312
180: ok 1313
180: ok 1314
180: ok 1315
180: ok 1316
180: ok 1317
180: ok 1318
180: ok 1319
180: ok 1320
180: ok 1321
180: ok 1322
180: ok 1323
180: ok 1324
180: ok 1325
180: ok 1326
180: ok 1327
180: ok 1328
180: ok 1329
180: ok 1330
180: ok 1331
180: ok 1332
180: ok 1333
180: ok 1334
180: ok 1335
180: ok 1336
180: ok 1337
180: ok 1338
180: ok 1339
180: ok 1340
180: ok 1341
180: ok 1342
180: ok 1343
180: ok 1344
180: ok 1345
180: ok 1346
180: ok 1347
180: ok 1348
180: ok 1349
180: ok 1350
180: ok 1351
180: ok 1352
180: ok 1353
180: ok 1354
180: ok 1355
180: ok 1356
180: ok 1357
180: ok 1358
180: ok 1359
180: ok 1360
180: ok 1361
180: ok 1362
180: ok 1363
180: ok 1364
180: ok 1365
180: ok 1366
180: ok 1367
180: ok 1368
180: ok 1369
180: ok 1370
180: ok 1371
180: ok 1372
180: ok 1373
180: ok 1374
180: ok 1375
180: ok 1376
180: ok 1377
180: ok 1378
180: ok 1379
180: ok 1380
180: ok 1381
180: ok 1382
180: ok 1383
180: ok 1384
180: ok 1385
180: ok 1386
180: ok 1387
180: ok 1388
180: ok 1389
180: ok 1390
180: ok 1391
180: ok 1392
180: ok 1393
180: ok 1394
180: ok 1395
180: ok 1396
180: ok 1397
180: ok 1398
180: ok 1399
180: ok 1400
180: ok 1401
180: ok 1402
180: ok 1403
180: ok 1404
180: ok 1405
180: ok 1406
180: ok 1407
180: ok 1408
180: ok 1409
180: ok 1410
180: ok 1411
180: ok 1412
180: ok 1413
180: ok 1414
180: ok 1415
180: ok 1416
180: ok 1417
180: ok 1418
180: ok 1419
180: ok 1420
180: ok 1421
180: ok 1422
180: ok 1423
180: ok 1424
180: ok 1425
180: ok 1426
180: ok 1427
180: ok 1428
180: ok 1429
180: ok 1430
180: ok 1431
180: ok 1432
180: ok 1433
180: ok 1434
180: ok 1435
180: ok 1436
180: ok 1437
180: ok 1438
180: ok 1439
180: ok 1440
180: ok 1441
180: ok 1442
180: ok 1443
180: ok 1444
180: ok 1445
180: ok 1446
180: ok 1447
180: ok 1448
180: ok 1449
180: ok 1450
180: ok 1451
180: ok 1452
180: ok 1453
180: ok 1454
180: ok 1455
180: ok 1456
180: ok 1457
180: ok 1458
180: ok 1459
180: ok 1460
180: ok 1461
180: ok 1462
180: ok 1463
180: ok 1464
180: ok 1465
180: ok 1466
180: ok 1467
180: ok 1468
180: ok 1469
180: ok 1470
180: ok 1471
180: ok 1472
180: ok 1473
180: ok 1474
180: ok 1475
180: ok 1476
180: ok 1477
180: ok 1478
180: ok 1479
180: ok 1480
180: ok 1481
180: ok 1482
180: ok 1483
180: ok 1484
180: ok 1485
180: ok 1486
180: ok 1487
180: ok 1488
180: ok 1489
180: ok 1490
180: ok 1491
180: ok 1492
180: ok 1493
180: ok 1494
180: ok 1495
180: ok 1496
180: ok 1497
180: ok 1498
180: ok 1499
180: ok 1500
180: ok 1501
180: ok 1502
180: ok 1503
180: ok 1504
180: ok 1505
180: ok 1506
180: ok 1507
180: ok 1508
180: ok 1509
180: ok 1510
180: ok 1511
180: ok 1512
180: ok 1513
180: ok 1514
180: ok 1515
180: ok 1516
180: ok 1517
180: ok 1518
180: ok 1519
180: ok 1520
180: ok 1521
180: ok 1522
180: ok 1523
180: ok 1524
180: ok 1525
180: ok 1526
180: ok 1527
180: ok 1528
180: ok 1529
180: ok 1530
180: ok 1531
180: ok 1532
180: ok 1533
180: ok 1534
180: ok 1535
180: ok 1536
180: ok 1537
180: ok 1538
180: ok 1539
180: ok 1540
180: ok 1541
180: ok 1542
180: ok 1543
180: ok 1544
180: ok 1545
180: ok 1546
180: ok 1547
180: ok 1548
180: ok 1549
180: ok 1550
180: ok 1551
180: ok 1552
180: ok 1553
180: ok 1554
180: ok 1555
180: ok 1556
180: ok 1557
180: ok 1558
180: ok 1559
180: ok 1560
180: ok 1561
180: ok 1562
180: ok 1563
180: ok 1564
180: ok 1565
180: ok 1566
180: ok 1567
180: ok 1568
180: ok 1569
180: ok 1570
180: ok 1571
180: ok 1572
180: ok 1573
180: ok 1574
180: ok 1575
180: ok 1576
180: ok 1577
180: ok 1578
180: ok 1579
180: ok 1580
180: ok 1581
180: ok 1582
180: ok 1583
180: ok 1584
180: ok 1585
180: ok 1586
180: ok 1587
180: ok 1588
180: ok 1589
180: ok 1590
180: ok 1591
180: ok 1592
180: ok 1593
180: ok 1594
180: ok 1595
180: ok 1596
180: ok 1597
180: ok 1598
180: ok 1599
180: ok 1600
180: ok 1601
180: ok 1602
180: ok 1603
180: ok 1604
180: ok 1605
180: ok 1606
180: ok 1607
180: ok 1608
180: ok 1609
180: ok 1610
180: ok 1611
180: ok 1612
180: ok 1613
180: ok 1614
180: ok 1615
180: ok 1616
180: ok 1617
180: ok 1618
180: ok 1619
180: ok 1620
180: ok 1621
180: ok 1622
180: ok 1623
180: ok 1624
180: ok 1625
180: ok 1626
180: ok 1627
180: ok 1628
180: ok 1629
180: ok 1630
180: ok 1631
180: ok 1632
180: ok 1633
180: ok 1634
180: ok 1635
180: ok 1636
180: ok 1637
180: ok 1638
180: ok 1639
180: ok 1640
180: ok 1641
180: ok 1642
180: ok 1643
180: ok 1644
180: ok 1645
180: ok 1646
180: ok 1647
180: ok 1648
180: ok 1649
180: ok 1650
180: ok 1651
180: ok 1652
180: ok 1653
180: ok 1654
180: ok 1655
180: ok 1656
180: ok 1657
180: ok 1658
180: ok 1659
180: ok 1660
180: ok 1661
180: ok 1662
180: ok 1663
180: ok 1664
180: ok 1665
180: ok 1666
180: ok 1667
180: ok 1668
180: ok 1669
180: ok 1670
180: ok 1671
180: ok 1672
180: ok 1673
180: ok 1674
180: ok 1675
180: ok 1676
180: ok 1677
180: ok 1678
180: ok 1679
180: ok 1680
180: ok 1681
180: ok 1682
180: ok 1683
180: ok 1684
180: ok 1685
180: ok 1686
180: ok 1687
180: ok 1688
180: ok 1689
180: ok 1690
180: ok 1691
180: ok 1692
180: ok 1693
180: ok 1694
180: ok 1695
180: ok 1696
180: ok 1697
180: ok 1698
180: ok 1699
180: ok 1700
180: ok 1701
180: ok 1702
180: ok 1703
180: ok 1704
180: ok 1705
180: ok 1706
180: ok 1707
180: ok 1708
180: ok 1709
180: ok 1710
180: ok 1711
180: ok 1712
180: ok 1713
180: ok 1714
180: ok 1715
180: ok 1716
180: ok 1717
180: ok 1718
180: ok 1719
180: ok 1720
180: ok 1721
180: ok 1722
180: ok 1723
180: ok 1724
180: ok 1725
180: ok 1726
180: ok 1727
180: ok 1728
180: ok 1729
180: ok 1730
180: ok 1731
180: ok 1732
180: ok 1733
180: ok 1734
180: ok 1735
180: ok 1736
180: ok 1737
180: ok 1738
180: ok 1739
180: ok 1740
180: ok 1741
180: ok 1742
180: ok 1743
180: ok 1744
180: ok 1745
180: ok 1746
180: ok 1747
180: ok 1748
180: ok 1749
180: ok 1750
180: ok 1751
180: ok 1752
180: ok 1753
180: ok 1754
180: ok 1755
180: ok 1756
180: ok 1757
180: ok 1758
180: ok 1759
180: ok 1760
180: ok 1761
180: ok 1762
180: ok 1763
180: ok 1764
180: ok 1765
180: ok 1766
180: ok 1767
180: ok 1768
180: ok 1769
180: ok 1770
180: ok 1771
180: ok 1772
180: ok 1773
180: ok 1774
180: ok 1775
180: ok 1776
180: ok 1777
180: ok 1778
180: ok 1779
180: ok 1780
180: ok 1781
180: ok 1782
180: ok 1783
180: ok 1784
180: ok 1785
180: ok 1786
180: ok 1787
180: ok 1788
180: ok 1789
180: ok 1790
180: ok 1791
180: ok 1792
180: ok 1793
180: ok 1794
180: ok 1795
180: ok 1796
180: ok 1797
180: ok 1798
180: ok 1799
180: ok 1800
180: ok 1801
180: ok 1802
180: ok 1803
180: ok 1804
180: ok 1805
180: ok 1806
180: ok 1807
180: ok 1808
180: ok 1809
180: ok 1810
180: ok 1811
180: ok 1812
180: ok 1813
180: ok 1814
180: ok 1815
180: ok 1816
180: ok 1817
180: ok 1818
180: ok 1819
180: ok 1820
180: ok 1821
180: ok 1822
180: ok 1823
180: ok 1824
180: ok 1825
180: ok 1826
180: ok 1827
180: ok 1828
180: ok 1829
180: ok 1830
180: ok 1831
180: ok 1832
180: ok 1833
180: ok 1834
180: ok 1835
180: ok 1836
180: ok 1837
180: ok 1838
180: ok 1839
180: ok 1840
180: ok 1841
180: ok 1842
180: ok 1843
180: ok 1844
180: ok 1845
180: ok 1846
180: ok 1847
180: ok 1848
180: ok 1849
180: ok 1850
180: ok 1851
180: ok 1852
180: ok 1853
180: ok 1854
180: ok 1855
180: ok 1856
180: ok 1857
180: ok 1858
180: ok 1859
180: ok 1860
180: ok 1861
180: ok 1862
180: ok 1863
180: ok 1864
180: ok 1865
180: ok 1866
180: ok 1867
180: ok 1868
180: ok 1869
180: ok 1870
180: ok 1871
180: ok 1872
180: ok 1873
180: ok 1874
180: ok 1875
180: ok 1876
180: ok 1877
180: ok 1878
180: ok 1879
180: ok 1880
180: ok 1881
180: ok 1882
180: ok 1883
180: ok 1884
180: ok 1885
180: ok 1886
180: ok 1887
180: ok 1888
180: ok 1889
180: ok 1890
180: ok 1891
180: ok 1892
180: ok 1893
180: ok 1894
180: ok 1895
180: ok 1896
180: ok 1897
180: ok 1898
180: ok 1899
180: ok 1900
180: ok 1901
180: ok 1902
180: ok 1903
180: ok 1904
180: ok 1905
180: ok 1906
180: ok 1907
180: ok 1908
180: ok 1909
180: ok 1910
180: ok 1911
180: ok 1912
180: ok 1913
180: ok 1914
180: ok 1915
180: ok 1916
180: ok 1917
180: ok 1918
180: ok 1919
180: ok 1920
180: ok 1921
180: ok 1922
180: ok 1923
180: ok 1924
180: ok 1925
180: ok 1926
180: ok 1927
180: ok 1928
180: ok 1929
180: ok 1930
180: ok 1931
180: ok 1932
180: ok 1933
180: ok 1934
180: ok 1935
180: ok 1936
180: ok 1937
180: ok 1938
180: ok 1939
180: ok 1940
180: ok 1941
180: ok 1942
180: ok 1943
180: ok 1944
180: ok 1945
180: ok 1946
180: ok 1947
180: ok 1948
180: ok 1949
180: ok 1950
180: ok 1951
180: ok 1952
180: ok 1953
180: ok 1954
180: ok 1955
180: ok 1956
180: ok 1957
180: ok 1958
180: ok 1959
180: ok 1960
180: ok 1961
180: ok 1962
180: ok 1963
180: ok 1964
180: ok 1965
180: ok 1966
180: ok 1967
180: ok 1968
180: ok 1969
180: ok 1970
180: ok 1971
180: ok 1972
180: ok 1973
180: ok 1974
180: ok 1975
180: ok 1976
180: ok 1977
180: ok 1978
180: ok 1979
180: ok 1980
180: ok 1981
180: ok 1982
180: ok 1983
180: ok 1984
180: ok 1985
180: ok 1986
180: ok 1987
180: ok 1988
180: ok 1989
180: ok 1990
180: ok 1991
180: ok 1992
180: ok 1993
180: ok 1994
180: ok 1995
180: ok 1996
180: ok 1997
180: ok 1998
180: ok 1999
180: ok 2000
180: ok 2001
180: ok 2002
180: ok 2003
180: ok 2004
180: ok 2005
180: ok 2006
180: ok 2007
180: ok 2008
180: ok 2009
180: ok 2010
180: ok 2011
180: ok 2012
180: ok 2013
180: ok 2014
180: ok 2015
180: ok 2016
180: ok 2017
180: ok 2018
180: ok 2019
180: ok 2020
180: ok 2021
180: ok 2022
180: ok 2023
180: ok 2024
180: ok 2025
180: ok 2026
180: ok 2027
180: ok 2028
180: ok 2029
180: ok 2030
180: ok 2031
180: ok 2032
180: ok 2033
180: ok 2034
180: ok 2035
180: ok 2036
180: ok 2037
180: ok 2038
180: ok 2039
180: ok 2040
180: ok 2041
180: ok 2042
180: ok 2043
180: ok 2044
180: ok 2045
180: ok 2046
180: ok 2047
180: ok 2048
180: ok 2049
180: ok 2050
180: ok 2051
180: ok 2052
180: ok 2053
180: ok 2054
180: ok 2055
180: ok 2056
180: ok 2057
180: ok 2058
180: ok 2059
180: ok 2060
180: ok 2061
180: ok 2062
180: ok 2063
180: ok 2064
180: ok 2065
180: ok 2066
180: ok 2067
180: ok 2068
180: ok 2069
180: ok 2070
180: ok 2071
180: ok 2072
180: ok 2073
180: ok 2074
180: ok 2075
180: ok 2076
180: ok 2077
180: ok 2078
180: ok 2079
180: ok 2080
180: ok 2081
180: ok 2082
180: ok 2083
180: ok 2084
180: ok 2085
180: ok 2086
180: ok 2087
180: ok 2088
180: ok 2089
180: ok 2090
180: ok 2091
180: ok 2092
180: ok 2093
180: ok 2094
180: ok 2095
180: ok 2096
180: ok 2097
180: ok 2098
180: ok 2099
180: ok 2100
180: ok 2101
180: ok 2102
180: ok 2103
180: ok 2104
180: ok 2105
180: ok 2106
180: ok 2107
180: ok 2108
180: ok 2109
180: ok 2110
180: ok 2111
180: ok 2112
180: ok 2113
180: ok 2114
180: ok 2115
180: ok 2116
180: ok 2117
180: ok 2118
180: ok 2119
180: ok 2120
180: ok 2121
180: ok 2122
180: ok 2123
180: ok 2124
180: ok 2125
180: ok 2126
180: ok 2127
180: ok 2128
180: ok 2129
180: ok 2130
180: ok 2131
180: ok 2132
180: ok 2133
180: ok 2134
180: ok 2135
180: ok 2136
180: ok 2137
180: ok 2138
180: ok 2139
180: ok 2140
180: ok 2141
180: ok 2142
180: ok 2143
180: ok 2144
180: ok 2145
180: ok 2146
180: ok 2147
180: ok 2148
180: ok 2149
180: ok 2150
180: ok 2151
180: ok 2152
180: ok 2153
180: ok 2154
180: ok 2155
180: ok 2156
180: ok 2157
180: ok 2158
180: ok 2159
180: ok 2160
180: ok 2161
180: ok 2162
180: ok 2163
180: ok 2164
180: ok 2165
180: ok 2166
180: ok 2167
180: ok 2168
180: ok 2169
180: ok 2170
180: ok 2171
180: ok 2172
180: ok 2173
180: ok 2174
180: ok 2175
180: ok 2176
180: ok 2177
180: ok 2178
180: ok 2179
180: ok 2180
180: ok 2181
180: ok 2182
180: ok 2183
180: ok 2184
180: ok 2185
180: ok 2186
180: ok 2187
180: ok 2188
180: ok 2189
180: ok 2190
180: ok 2191
180: ok 2192
180: ok 2193
180: ok 2194
180: ok 2195
180: ok 2196
180: ok 2197
180: ok 2198
180: ok 2199
180: ok 2200
180: ok 2201
180: ok 2202
180: ok 2203
180: ok 2204
180: ok 2205
180: ok 2206
180: ok 2207
180: ok 2208
180: ok 2209
180: ok 2210
180: ok 2211
180: ok 2212
180: ok 2213
180: ok 2214
180: ok 2215
180: ok 2216
180: ok 2217
180: ok 2218
180: ok 2219
180: ok 2220
180: ok 2221
180: ok 2222
180: ok 2223
180: ok 2224
180: ok 2225
180: ok 2226
180: ok 2227
180: ok 2228
180: ok 2229
180: ok 2230
180: ok 2231
180: ok 2232
180: ok 2233
180: ok 2234
180: ok 2235
180: ok 2236
180: ok 2237
180: ok 2238
180: ok 2239
180: ok 2240
180: ok 2241
180: ok 2242
180: ok 2243
180: ok 2244
180: ok 2245
180: ok 2246
180: ok 2247
180: ok 2248
180: ok 2249
180: ok 2250
180: ok 2251
180: ok 2252
180: ok 2253
180: ok 2254
180: ok 2255
180: ok 2256
180: ok 2257
180: ok 2258
180: ok 2259
180: ok 2260
180: ok 2261
180: ok 2262
180: ok 2263
180: ok 2264
180: ok 2265
180: ok 2266
180: ok 2267
180: ok 2268
180: ok 2269
180: ok 2270
180: ok 2271
180: ok 2272
180: ok 2273
180: ok 2274
180: ok 2275
180: ok 2276
180: ok 2277
180: ok 2278
180: ok 2279
180: ok 2280
180: ok 2281
180: ok 2282
180: ok 2283
180: ok 2284
180: ok 2285
180: ok 2286
180: ok 2287
180: ok 2288
180: ok 2289
180: ok 2290
180: ok 2291
180: ok 2292
180: ok 2293
180: ok 2294
180: ok 2295
180: ok 2296
180: ok 2297
180: ok 2298
180: ok 2299
180: ok 2300
180: ok 2301
180: ok 2302
180: ok 2303
180: ok 2304
180: ok 2305
180: ok 2306
180: ok 2307
180: ok 2308
180: ok 2309
180: ok 2310
180: ok 2311
180: ok 2312
180: ok 2313
180: ok 2314
180: ok 2315
180: ok 2316
180: ok 2317
180: ok 2318
180: ok 2319
180: ok 2320
180: ok 2321
180: ok 2322
180: ok 2323
180: ok 2324
180: ok 2325
180: ok 2326
180: ok 2327
180: ok 2328
180: ok 2329
180: ok 2330
180: ok 2331
180: ok 2332
180: ok 2333
180: ok 2334
180: ok 2335
180: ok 2336
180: ok 2337
180: ok 2338
180: ok 2339
180: ok 2340
180: ok 2341
180: ok 2342
180: ok 2343
180: ok 2344
180: ok 2345
180: ok 2346
180: ok 2347
180: ok 2348
180: ok 2349
180: ok 2350
180: ok 2351
180: ok 2352
180: ok 2353
180: ok 2354
180: ok 2355
180: ok 2356
180: ok 2357
180: ok 2358
180: ok 2359
180: ok 2360
180: ok 2361
180: ok 2362
180: ok 2363
180: ok 2364
180: ok 2365
180: ok 2366
180: ok 2367
180: ok 2368
180: ok 2369
180: ok 2370
180: ok 2371
180: ok 2372
180: ok 2373
180: ok 2374
180: ok 2375
180: ok 2376
180: ok 2377
180: ok 2378
180: ok 2379
180: ok 2380
180: ok 2381
180: ok 2382
180: ok 2383
180: ok 2384
180: ok 2385
180: ok 2386
180: ok 2387
180: ok 2388
180: ok 2389
180: ok 2390
180: ok 2391
180: ok 2392
180: ok 2393
180: ok 2394
180: ok 2395
180: ok 2396
180: ok 2397
180: ok 2398
180: ok 2399
180: ok 2400
180: ok 2401
180: ok 2402
180: ok 2403
180: ok 2404
180: ok 2405
180: ok 2406
180: ok 2407
180: ok 2408
180: ok 2409
180: ok 2410
180: ok 2411
180: ok 2412
180: ok 2413
180: ok 2414
180: ok 2415
180: ok 2416
180: ok 2417
180: ok 2418
180: ok 2419
180: ok 2420
180: ok 2421
180: ok 2422
180: ok 2423
180: ok 2424
180: ok 2425
180: ok 2426
180: ok 2427
180: ok 2428
180: ok 2429
180: ok 2430
180: ok 2431
180: ok 2432
180: ok 2433
180: ok 2434
180: ok 2435
180: ok 2436
180: ok 2437
180: ok 2438
180: ok 2439
180: ok 2440
180: ok 2441
180: ok 2442
180: ok 2443
180: ok 2444
180: ok 2445
180: ok 2446
180: ok 2447
180: ok 2448
180: ok 2449
180: ok 2450
180: ok 2451
180: ok 2452
180: ok 2453
180: ok 2454
180: ok 2455
180: ok 2456
180: ok 2457
180: ok 2458
180: ok 2459
180: ok 2460
180: ok 2461
180: ok 2462
180: ok 2463
180: ok 2464
180: ok 2465
180: ok 2466
180: ok 2467
180: ok 2468
180: ok 2469
180: ok 2470
180: ok 2471
180: ok 2472
180: ok 2473
180: ok 2474
180: ok 2475
180: ok 2476
180: ok 2477
180: ok 2478
180: ok 2479
180: ok 2480
180: ok 2481
180: ok 2482
180: ok 2483
180: ok 2484
180: ok 2485
180: ok 2486
180: ok 2487
180: ok 2488
180: ok 2489
180: ok 2490
180: ok 2491
180: ok 2492
180: ok 2493
180: ok 2494
180: ok 2495
180: ok 2496
180: ok 2497
180: ok 2498
180: ok 2499
180: ok 2500
180: ok 2501
180: ok 2502
180: ok 2503
180: ok 2504
180: ok 2505
180: ok 2506
180: ok 2507
180: ok 2508
180: ok 2509
180: ok 2510
180: ok 2511
180: ok 2512
180: ok 2513
180: ok 2514
180: ok 2515
180: ok 2516
180: ok 2517
180: ok 2518
180: ok 2519
180: ok 2520
180: ok 2521
180: ok 2522
180: ok 2523
180: ok 2524
180: ok 2525
180: ok 2526
180: ok 2527
180: ok 2528
180: ok 2529
180: ok 2530
180: ok 2531
180: ok 2532
180: ok 2533
180: ok 2534
180: ok 2535
180: ok 2536
180: ok 2537
180: ok 2538
180: ok 2539
180: ok 2540
180: ok 2541
180: ok 2542
180: ok 2543
180: ok 2544
180: ok 2545
180: ok 2546
180: ok 2547
180: ok 2548
180: ok 2549
180: ok 2550
180: ok 2551
180: ok 2552
180: ok 2553
180: ok 2554
180: ok 2555
180: ok 2556
180: ok 2557
180: ok 2558
180: ok 2559
180: ok 2560
180: ok 2561
180: ok 2562
180: ok 2563
180: ok 2564
180: ok 2565
180: ok 2566
180: ok 2567
180: ok 2568
180: ok 2569
180: ok 2570
180: ok 2571
180: ok 2572
180: ok 2573
180: ok 2574
180: ok 2575
180: ok 2576
180: ok 2577
180: ok 2578
180: ok 2579
180: ok 2580
180: ok 2581
180: ok 2582
180: ok 2583
180: ok 2584
180: ok 2585
180: ok 2586
180: ok 2587
180: ok 2588
180: ok 2589
180: ok 2590
180: ok 2591
180: ok 2592
180: ok 2593
180: ok 2594
180: ok 2595
180: ok 2596
180: ok 2597
180: ok 2598
180: ok 2599
180: ok 2600
180: ok 2601
180: ok 2602
180: ok 2603
180: ok 2604
180: ok 2605
180: ok 2606
180: ok 2607
180: ok 2608
180: ok 2609
180: ok 2610
180: ok 2611
180: ok 2612
180: ok 2613
180: ok 2614
180: ok 2615
180: ok 2616
180: ok 2617
180: ok 2618
180: ok 2619
180: ok 2620
180: ok 2621
180: ok 2622
180: ok 2623
180: ok 2624
180: ok 2625
180: ok 2626
180: ok 2627
180: ok 2628
180: ok 2629
180: ok 2630
180: ok 2631
180: ok 2632
180: ok 2633
180: ok 2634
180: ok 2635
180: ok 2636
180: ok 2637
180: ok 2638
180: ok 2639
180: ok 2640
180: ok 2641
180: ok 2642
180: ok 2643
180: ok 2644
180: ok 2645
180: ok 2646
180: ok 2647
180: ok 2648
180: ok 2649
180: ok 2650
180: ok 2651
180: ok 2652
180: ok 2653
180: ok 2654
180: ok 2655
180: ok 2656
180: ok 2657
180: ok 2658
180: ok 2659
180: ok 2660
180: ok 2661
180: ok 2662
180: ok 2663
180: ok 2664
180: ok 2665
180: ok 2666
180: ok 2667
180: ok 2668
180: ok 2669
180: ok 2670
180: ok 2671
180: ok 2672
180: ok 2673
180: ok 2674
180: ok 2675
180: ok 2676
180: ok 2677
180: ok 2678
180: ok 2679
180: ok 2680
180: ok 2681
180: ok 2682
180: ok 2683
180: ok 2684
180: ok 2685
180: ok 2686
180: ok 2687
180: ok 2688
180: ok 2689
180: ok 2690
180: ok 2691
180: ok 2692
180: ok 2693
180: ok 2694
180: ok 2695
180: ok 2696
180: ok 2697
180: ok 2698
180: ok 2699
180: ok 2700
180: ok 2701
180: ok 2702
180: ok 2703
180: ok 2704
180: ok 2705
180: ok 2706
180: ok 2707
180: ok 2708
180: ok 2709
180: ok 2710
180: ok 2711
180: ok 2712
180: ok 2713
180: ok 2714
180: ok 2715
180: ok 2716
180: ok 2717
180: ok 2718
180: ok 2719
180: ok 2720
180: ok 2721
180: ok 2722
180: ok 2723
180: ok 2724
180: ok 2725
180: ok 2726
180: ok 2727
180: ok 2728
180: ok 2729
180: ok 2730
180: ok 2731
180: ok 2732
180: ok 2733
180: ok 2734
180: ok 2735
180: ok 2736
180: ok 2737
180: ok 2738
180: ok 2739
180: ok 2740
180: ok 2741
180: ok 2742
180: ok 2743
180: ok 2744
180: ok 2745
180: ok 2746
180: ok 2747
180: ok 2748
180: ok 2749
180: ok 2750
180: ok 2751
180: ok 2752
180: ok 2753
180: ok 2754
180: ok 2755
180: ok 2756
180: ok 2757
180: ok 2758
180: ok 2759
180: ok 2760
180: ok 2761
180: ok 2762
180: ok 2763
180: ok 2764
180: ok 2765
180: ok 2766
180: ok 2767
180: ok 2768
180: ok 2769
180: ok 2770
180: ok 2771
180: ok 2772
180: ok 2773
180: ok 2774
180: ok 2775
180: ok 2776
180: ok 2777
180: ok 2778
180: ok 2779
180: ok 2780
180: ok 2781
180: ok 2782
180: ok 2783
180: ok 2784
180: ok 2785
180: ok 2786
180: ok 2787
180: ok 2788
180: ok 2789
180: ok 2790
180: ok 2791
180: ok 2792
180: ok 2793
180: ok 2794
180: ok 2795
180: ok 2796
180: ok 2797
180: ok 2798
180: ok 2799
180: ok 2800
180: ok 2801
180: ok 2802
180: ok 2803
180: ok 2804
180: ok 2805
180: ok 2806
180: ok 2807
180: ok 2808
180: ok 2809
180: ok 2810
180: ok 2811
180: ok 2812
180: ok 2813
180: ok 2814
180: ok 2815
180: ok 2816
180: ok 2817
180: ok 2818
180: ok 2819
180: ok 2820
180: ok 2821
180: ok 2822
180: ok 2823
180: ok 2824
180: ok 2825
180: ok 2826
180: ok 2827
180: ok 2828
180: ok 2829
180: ok 2830
180: ok 2831
180: ok 2832
180: ok 2833
180: ok 2834
180: ok 2835
180: ok 2836
180: ok 2837
180: ok 2838
180: ok 2839
180: ok 2840
180: ok 2841
180: ok 2842
180: ok 2843
180: ok 2844
180: ok 2845
180: ok 2846
180: ok 2847
180: ok 2848
180: ok 2849
180: ok 2850
180: ok 2851
180: ok 2852
180: ok 2853
180: ok 2854
180: ok 2855
180: ok 2856
180: ok 2857
180: ok 2858
180: ok 2859
180: ok 2860
180: ok 2861
180: ok 2862
180: ok 2863
180: ok 2864
180: ok 2865
180: ok 2866
180: ok 2867
180: ok 2868
180: ok 2869
180: ok 2870
180: ok 2871
180: ok 2872
180: ok 2873
180: ok 2874
180: ok 2875
180: ok 2876
180: ok 2877
180: ok 2878
180: ok 2879
180: ok 2880
180: ok 2881
180: ok 2882
180: ok 2883
180: ok 2884
180: ok 2885
180: ok 2886
180: ok 2887
180: ok 2888
180: ok 2889
180: ok 2890
180: ok 2891
180: ok 2892
180: ok 2893
180: ok 2894
180: ok 2895
180: ok 2896
180: ok 2897
180: ok 2898
180: ok 2899
180: ok 2900
180: ok 2901
180: ok 2902
180: ok 2903
180: ok 2904
180: ok 2905
180: ok 2906
180: ok 2907
180: ok 2908
180: ok 2909
180: ok 2910
180: ok 2911
180: ok 2912
180: ok 2913
180: ok 2914
180: ok 2915
180: ok 2916
180: ok 2917
180: ok 2918
180: ok 2919
180: ok 2920
180: ok 2921
180: ok 2922
180: ok 2923
180: ok 2924
180: ok 2925
180: ok 2926
180: ok 2927
180: ok 2928
180: ok 2929
180: ok 2930
180: ok 2931
180: ok 2932
180: ok 2933
180: ok 2934
180: ok 2935
180: ok 2936
180: ok 2937
180: ok 2938
180: ok 2939
180: ok 2940
180: ok 2941
180: ok 2942
180: ok 2943
180: ok 2944
180: ok 2945
180: ok 2946
180: ok 2947
180: ok 2948
180: ok 2949
180: ok 2950
180: ok 2951
180: ok 2952
180: ok 2953
180: ok 2954
180: ok 2955
180: ok 2956
180: ok 2957
180: ok 2958
180: ok 2959
180: ok 2960
180: ok 2961
180: ok 2962
180: ok 2963
180: ok 2964
180: ok 2965
180: ok 2966
180: ok 2967
180: ok 2968
180: ok 2969
180: ok 2970
180: ok 2971
180: ok 2972
180: ok 2973
180: ok 2974
180: ok 2975
180: ok 2976
180: ok 2977
180: ok 2978
180: ok 2979
180: ok 2980
180: ok 2981
180: ok 2982
180: ok 2983
180: ok 2984
180: ok 2985
180: ok 2986
180: ok 2987
180: ok 2988
180: ok 2989
180: ok 2990
180: ok 2991
180: ok 2992
180: ok 2993
180: ok 2994
180: ok 2995
180: ok 2996
180: ok 2997
180: ok 2998
180: ok 2999
180: ok 3000
180: ok 3001
180: ok 3002
180: ok 3003
180: ok 3004
180: ok 3005
180: ok 3006
180: ok 3007
180: ok 3008
180: ok 3009
180: ok 3010
180: ok 3011
180: ok 3012
180: ok 3013
180: ok 3014
180: ok 3015
180: ok 3016
180: ok 3017
180: ok 3018
180: ok 3019
180: ok 3020
180: ok 3021
180: ok 3022
180: ok 3023
180: ok 3024
180: ok 3025
180: ok 3026
180: ok 3027
180: ok 3028
180: ok 3029
180: ok 3030
180: ok 3031
180: ok 3032
180: ok 3033
180: ok 3034
180: ok 3035
180: ok 3036
180: ok 3037
180: ok 3038
180: ok 3039
180: ok 3040
180: ok 3041
180: ok 3042
180: ok 3043
180: ok 3044
180: ok 3045
180: ok 3046
180: ok 3047
180: ok 3048
180: ok 3049
180: ok 3050
180: ok 3051
180: ok 3052
180: ok 3053
180: ok 3054
180: ok 3055
180: ok 3056
180: ok 3057
180: ok 3058
180: ok 3059
180: ok 3060
180: ok 3061
180: ok 3062
180: ok 3063
180: ok 3064
180: ok 3065
180: ok 3066
180: ok 3067
180: ok 3068
180: ok 3069
180: ok 3070
180: ok 3071
180: ok 3072
180: ok 3073
180: ok 3074
180: ok 3075
180: ok 3076
180: ok 3077
180: ok 3078
180: ok 3079
180: ok 3080
180: ok 3081
180: ok 3082
180: ok 3083
180: ok 3084
180: ok 3085
180: ok 3086
180: ok 3087
180: ok 3088
180: ok 3089
180: ok 3090
180: ok 3091
180: ok 3092
180: ok 3093
180: ok 3094
180: ok 3095
180: ok 3096
180: ok 3097
180: ok 3098
180: ok 3099
180: ok 3100
180: ok 3101
180: ok 3102
180: ok 3103
180: ok 3104
180: ok 3105
180: ok 3106
180: ok 3107
180: ok 3108
180: ok 3109
180: ok 3110
180: ok 3111
180: ok 3112
180: ok 3113
180: ok 3114
180: ok 3115
180: ok 3116
180: ok 3117
180: ok 3118
180: ok 3119
180: ok 3120
180: ok 3121
180: ok 3122
180: ok 3123
180: ok 3124
180: ok 3125
180: ok 3126
180: ok 3127
180: ok 3128
180: ok 3129
180: ok 3130
180: ok 3131
180: ok 3132
180: ok 3133
180: ok 3134
180: ok 3135
180: ok 3136
180: ok 3137
180: ok 3138
180: ok 3139
180: ok 3140
180: ok 3141
180: ok 3142
180: ok 3143
180: ok 3144
180: ok 3145
180: ok 3146
180: ok 3147
180: ok 3148
180: ok 3149
180: ok 3150
180: ok 3151
180: ok 3152
180: ok 3153
180: ok 3154
180: ok 3155
180: ok 3156
180: ok 3157
180: ok 3158
180: ok 3159
180: ok 3160
180: ok 3161
180: ok 3162
180: ok 3163
180: ok 3164
180: ok 3165
180: ok 3166
180: ok 3167
180: ok 3168
180: ok 3169
180: ok 3170
180: ok 3171
180: ok 3172
180: ok 3173
180: ok 3174
180: ok 3175
180: ok 3176
180: ok 3177
180: ok 3178
180: ok 3179
180: ok 3180
180: ok 3181
180: ok 3182
180: ok 3183
180: ok 3184
180: ok 3185
180: ok 3186
180: ok 3187
180: ok 3188
180: ok 3189
180: ok 3190
180: ok 3191
180: ok 3192
180: ok 3193
180: ok 3194
180: ok 3195
180: ok 3196
180: ok 3197
180: ok 3198
180: ok 3199
180: ok 3200
180: ok 3201
180: ok 3202
180: ok 3203
180: ok 3204
180: ok 3205
180: ok 3206
180: ok 3207
180: ok 3208
180: ok 3209
180: ok 3210
180: ok 3211
180: ok 3212
180: ok 3213
180: ok 3214
180: ok 3215
180: ok 3216
180: ok 3217
180: ok 3218
180: ok 3219
180: ok 3220
180: ok 3221
180: ok 3222
180: ok 3223
180: ok 3224
180: ok 3225
180: ok 3226
180: ok 3227
180: ok 3228
180: ok 3229
180: ok 3230
180: ok 3231
180: ok 3232
180: ok 3233
180: ok 3234
180: ok 3235
180: ok 3236
180: ok 3237
180: ok 3238
180: ok 3239
180: ok 3240
180: ok 3241
180: ok 3242
180: ok 3243
180: ok 3244
180: ok 3245
180: ok 3246
180: ok 3247
180: ok 3248
180: ok 3249
180: ok 3250
180: ok 3251
180: ok 3252
180: ok 3253
180: ok 3254
180: ok 3255
180: ok 3256
180: ok 3257
180: ok 3258
180: ok 3259
180: ok 3260
180: ok 3261
180: ok 3262
180: ok 3263
180: ok 3264
180: ok 3265
180: ok 3266
180: ok 3267
180: ok 3268
180: ok 3269
180: ok 3270
180: ok 3271
180: ok 3272
180: ok 3273
180: ok 3274
180: ok 3275
180: ok 3276
180: ok 3277
180: ok 3278
180: ok 3279
180: ok 3280
180: ok 3281
180: ok 3282
180: ok 3283
180: ok 3284
180: ok 3285
180: ok 3286
180: ok 3287
180: ok 3288
180: ok 3289
180: ok 3290
180: ok 3291
180: ok 3292
180: ok 3293
180: ok 3294
180: ok 3295
180: ok 3296
180: ok 3297
180: ok 3298
180: ok 3299
180: ok 3300
180: ok 3301
180: ok 3302
180: ok 3303
180: ok 3304
180: ok 3305
180: ok 3306
180: ok 3307
180: ok 3308
180: ok 3309
180: ok 3310
180: ok 3311
180: ok 3312
180: ok 3313
180: ok 3314
180: ok 3315
180: ok 3316
180: ok 3317
180: ok 3318
180: ok 3319
180: ok 3320
180: ok 3321
180: ok 3322
180: ok 3323
180: ok 3324
180: ok 3325
180: ok 3326
180: ok 3327
180: ok 3328
180: ok 3329
180: ok 3330
180: ok 3331
180: ok 3332
180: ok 3333
180: ok 3334
180: ok 3335
180: ok 3336
180: ok 3337
180: ok 3338
180: ok 3339
180: ok 3340
180: ok 3341
180: ok 3342
180: ok 3343
180: ok 3344
180: ok 3345
180: ok 3346
180: ok 3347
180: ok 3348
180: ok 3349
180: ok 3350
180: ok 3351
180: ok 3352
180: ok 3353
180: ok 3354
180: ok 3355
180: ok 3356
180: ok 3357
180: ok 3358
180: ok 3359
180: ok 3360
180: ok 3361
180: ok 3362
180: ok 3363
180: ok 3364
180: ok 3365
180: ok 3366
180: ok 3367
180: ok 3368
180: ok 3369
180: ok 3370
180: ok 3371
180: ok 3372
180: ok 3373
180: ok 3374
180: ok 3375
180: ok 3376
180: ok 3377
180: ok 3378
180: ok 3379
180: ok 3380
180: ok 3381
180: ok 3382
180: ok 3383
180: ok 3384
180: ok 3385
180: ok 3386
180: ok 3387
180: ok 3388
180: ok 3389
180: ok 3390
180: ok 3391
180: ok 3392
180: ok 3393
180: ok 3394
180: ok 3395
180: ok 3396
180: ok 3397
180: ok 3398
180: ok 3399
180: ok 3400
180: ok 3401
180: ok 3402
180: ok 3403
180: ok 3404
180: ok 3405
180: ok 3406
180: ok 3407
180: ok 3408
180: ok 3409
180: ok 3410
180: ok 3411
180: ok 3412
180: ok 3413
180: ok 3414
180: ok 3415
180: ok 3416
180: ok 3417
180: ok 3418
180: ok 3419
180: ok 3420
180: ok 3421
180: ok 3422
180: ok 3423
180: ok 3424
180: ok 3425
180: ok 3426
180: ok 3427
180: ok 3428
180: ok 3429
180: ok 3430
180: ok 3431
180: ok 3432
180: ok 3433
180: ok 3434
180: ok 3435
180: ok 3436
180: ok 3437
180: ok 3438
180: ok 3439
180: ok 3440
180: ok 3441
180: ok 3442
180: ok 3443
180: ok 3444
180: ok 3445
180: ok 3446
180: ok 3447
180: ok 3448
180: ok 3449
180: ok 3450
180: ok 3451
180: ok 3452
180: ok 3453
180: ok 3454
180: ok 3455
180: ok 3456
180: ok 3457
180: ok 3458
180: ok 3459
180: ok 3460
180: ok 3461
180: ok 3462
180: ok 3463
180: ok 3464
180: ok 3465
180: ok 3466
180: ok 3467
180: ok 3468
180: ok 3469
180: ok 3470
180: ok 3471
180: ok 3472
180: ok 3473
180: ok 3474
180: ok 3475
180: ok 3476
180: ok 3477
180: ok 3478
180: ok 3479
180: ok 3480
180: ok 3481
180: ok 3482
180: ok 3483
180: ok 3484
180: ok 3485
180: ok 3486
180: ok 3487
180: ok 3488
180: ok 3489
180: ok 3490
180: ok 3491
180: ok 3492
180: ok 3493
180: ok 3494
180: ok 3495
180: ok 3496
180: ok 3497
180: ok 3498
180: ok 3499
180: ok 3500
180: ok 3501
180: ok 3502
180: ok 3503
180: ok 3504
180: ok 3505
180: ok 3506
180: ok 3507
180: ok 3508
180: ok 3509
180: ok 3510
180: ok 3511
180: ok 3512
180: ok 3513
180: ok 3514
180: ok 3515
180: ok 3516
180: ok 3517
180: ok 3518
180: ok 3519
180: ok 3520
180: ok 3521
180: ok 3522
180: ok 3523
180: ok 3524
180: ok 3525
180: ok 3526
180: ok 3527
180: ok 3528
180: ok 3529
180: ok 3530
180: ok 3531
180: ok 3532
180: ok 3533
180: ok 3534
180: ok 3535
180: ok 3536
180: ok 3537
180: ok 3538
180: ok 3539
180: ok 3540
180: ok 3541
180: ok 3542
180: ok 3543
180: ok 3544
180: ok 3545
180: ok 3546
180: ok 3547
180: ok 3548
180: ok 3549
180: ok 3550
180: ok 3551
180: ok 3552
180: ok 3553
180: ok 3554
180: ok 3555
180: ok 3556
180: ok 3557
180: ok 3558
180: ok 3559
180: ok 3560
180: ok 3561
180: ok 3562
180: ok 3563
180: ok 3564
180: ok 3565
180: ok 3566
180: ok 3567
180: ok 3568
180: ok 3569
180: ok 3570
180: ok 3571
180: ok 3572
180: ok 3573
180: ok 3574
180: ok 3575
180: ok 3576
180: ok 3577
180: ok 3578
180: ok 3579
180: ok 3580
180: ok 3581
180: ok 3582
180: ok 3583
180: ok 3584
180: ok 3585
180: ok 3586
180: ok 3587
180: ok 3588
180: ok 3589
180: ok 3590
180: ok 3591
180: ok 3592
180: ok 3593
180: ok 3594
180: ok 3595
180: ok 3596
180: ok 3597
180: ok 3598
180: ok 3599
180: ok 3600
180: ok 3601
180: ok 3602
180: ok 3603
180: ok 3604
180: ok 3605
180: ok 3606
180: ok 3607
180: ok 3608
180: ok 3609
180: ok 3610
180: ok 3611
180: ok 3612
180: ok 3613
180: ok 3614
180: ok 3615
180: ok 3616
180: ok 3617
180: ok 3618
180: ok 3619
180: ok 3620
180: ok 3621
180: ok 3622
180: ok 3623
180: ok 3624
180: ok 3625
180: ok 3626
180: ok 3627
180: ok 3628
180: ok 3629
180: ok 3630
180: ok 3631
180: ok 3632
180: ok 3633
180: ok 3634
180: ok 3635
180: ok 3636
180: ok 3637
180: ok 3638
180: ok 3639
180: ok 3640
180: ok 3641
180: ok 3642
180: ok 3643
180: ok 3644
180: ok 3645
180: ok 3646
180: ok 3647
180: ok 3648
180: ok 3649
180: ok 3650
180: ok 3651
180: ok 3652
180: ok 3653
180: ok 3654
180: ok 3655
180: ok 3656
180: ok 3657
180: ok 3658
180: ok 3659
180: ok 3660
180: ok 3661
180: ok 3662
180: ok 3663
180: ok 3664
180: ok 3665
180: ok 3666
180: ok 3667
180: ok 3668
180: ok 3669
180: ok 3670
180: ok 3671
180: ok 3672
180: ok 3673
180: ok 3674
180: ok 3675
180: ok 3676
180: ok 3677
180: ok 3678
180: ok 3679
180: ok 3680
180: ok 3681
180: ok 3682
180: ok 3683
180: ok 3684
180: ok 3685
180: ok 3686
180: ok 3687
180: ok 3688
180: ok 3689
180: ok 3690
180: ok 3691
180: ok 3692
180: ok 3693
180: ok 3694
180: ok 3695
180: ok 3696
180: ok 3697
180: ok 3698
180: ok 3699
180: ok 3700
180: ok 3701
180: ok 3702
180: ok 3703
180: ok 3704
180: ok 3705
180: ok 3706
180: ok 3707
180: ok 3708
180: ok 3709
180: ok 3710
180: ok 3711
180: ok 3712
180: ok 3713
180: ok 3714
180: ok 3715
180: ok 3716
180: ok 3717
180: ok 3718
180: ok 3719
180: ok 3720
180: ok 3721
180: ok 3722
180: ok 3723
180: ok 3724
180: ok 3725
180: ok 3726
180: ok 3727
180: ok 3728
180: ok 3729
180: ok 3730
180: ok 3731
180: ok 3732
180: ok 3733
180: ok 3734
180: ok 3735
180: ok 3736
180: ok 3737
180: ok 3738
180: ok 3739
180: ok 3740
180: ok 3741
180: ok 3742
180: ok 3743
180: ok 3744
180: ok 3745
180: ok 3746
180: ok 3747
180: ok 3748
180: ok 3749
180: ok 3750
180: ok 3751
180: ok 3752
180: ok 3753
180: ok 3754
180: ok 3755
180: ok 3756
180: ok 3757
180: ok 3758
180: ok 3759
180: ok 3760
180: ok 3761
180: ok 3762
180: ok 3763
180: ok 3764
180: ok 3765
180: ok 3766
180: ok 3767
180: ok 3768
180: ok 3769
180: ok 3770
180: ok 3771
180: ok 3772
180: ok 3773
180: ok 3774
180: ok 3775
180: ok 3776
180: ok 3777
180: ok 3778
180: ok 3779
180: ok 3780
180: ok 3781
180: ok 3782
180: ok 3783
180: ok 3784
180: ok 3785
180: ok 3786
180: ok 3787
180: ok 3788
180: ok 3789
180: ok 3790
180: ok 3791
180: ok 3792
180: ok 3793
180: ok 3794
180: ok 3795
180: ok 3796
180: ok 3797
180: ok 3798
180: ok 3799
180: ok 3800
180: ok 3801
180: ok 3802
180: ok 3803
180: ok 3804
180: ok 3805
180: ok 3806
180: ok 3807
180: ok 3808
180: ok 3809
180: ok 3810
180: ok 3811
180: ok 3812
180: ok 3813
180: ok 3814
180: ok 3815
180: ok 3816
180: ok 3817
180: ok 3818
180: ok 3819
180: ok 3820
180: ok 3821
180: ok 3822
180: ok 3823
180: ok 3824
180: ok 3825
180: ok 3826
180: ok 3827
180: ok 3828
180: ok 3829
180: ok 3830
180: ok 3831
180: ok 3832
180: ok 3833
180: ok 3834
180: ok 3835
180: ok 3836
180: ok 3837
180: ok 3838
180: ok 3839
180: ok 3840
180: ok 3841
180: ok 3842
180: ok 3843
180: ok 3844
180: ok 3845
180: ok 3846
180: ok 3847
180: ok 3848
180: ok 3849
180: ok 3850
180: ok 3851
180: ok 3852
180: ok 3853
180: ok 3854
180: ok 3855
180: ok 3856
180: ok 3857
180: ok 3858
180: ok 3859
180: ok 3860
180: ok 3861
180: ok 3862
180: ok 3863
180: ok 3864
180: ok 3865
180: ok 3866
180: ok 3867
180: ok 3868
180: ok 3869
180: ok 3870
180: ok 3871
180: ok 3872
180: ok 3873
180: ok 3874
180: ok 3875
180: ok 3876
180: ok 3877
180: ok 3878
180: ok 3879
180: ok 3880
180: ok 3881
180: ok 3882
180: ok 3883
180: ok 3884
180: ok 3885
180: ok 3886
180: ok 3887
180: ok 3888
180: ok 3889
180: ok 3890
180: ok 3891
180: ok 3892
180: ok 3893
180: ok 3894
180: ok 3895
180: ok 3896
180: ok 3897
180: ok 3898
180: ok 3899
180: ok 3900
180: ok 3901
180: ok 3902
180: ok 3903
180: ok 3904
180: ok 3905
180: ok 3906
180: ok 3907
180: ok 3908
180: ok 3909
180: ok 3910
180: ok 3911
180: ok 3912
180: ok 3913
180: ok 3914
180: ok 3915
180: ok 3916
180: ok 3917
180: ok 3918
180: ok 3919
180: ok 3920
180: ok 3921
180: ok 3922
180: ok 3923
180: ok 3924
180: ok 3925
180: ok 3926
180: ok 3927
180: ok 3928
180: ok 3929
180: ok 3930
180: ok 3931
180: ok 3932
180: ok 3933
180: ok 3934
180: ok 3935
180: ok 3936
180: ok 3937
180: ok 3938
180: ok 3939
180: ok 3940
180: ok 3941
180: ok 3942
180: ok 3943
180: ok 3944
180: ok 3945
180: ok 3946
180: ok 3947
180: ok 3948
180: ok 3949
180: ok 3950
180: ok 3951
180: ok 3952
180: ok 3953
180: ok 3954
180: ok 3955
180: ok 3956
180: ok 3957
180: ok 3958
180: ok 3959
180: ok 3960
180: ok 3961
180: ok 3962
180: ok 3963
180: ok 3964
180: ok 3965
180: ok 3966
180: ok 3967
180: ok 3968
180: ok 3969
180: ok 3970
180: ok 3971
180: ok 3972
180: ok 3973
180: ok 3974
180: ok 3975
180: ok 3976
180: ok 3977
180: ok 3978
180: ok 3979
180: ok 3980
180: ok 3981
180: ok 3982
180: ok 3983
180: ok 3984
180: ok 3985
180: ok 3986
180: ok 3987
180: ok 3988
180: ok 3989
180: ok 3990
180: ok 3991
180: ok 3992
180: ok 3993
180: ok 3994
180: ok 3995
180: ok 3996
180: ok 3997
180: ok 3998
180: ok 3999
180: ok 4000
180: ok 4001
180: ok 4002
180: ok 4003
180: ok 4004
180: ok 4005
180: ok 4006
180: ok 4007
180: ok 4008
180: ok 4009
180: ok 4010
180: ok 4011
180: ok 4012
180: ok 4013
180: ok 4014
180: ok 4015
180: ok 4016
180: ok 4017
180: ok 4018
180: ok 4019
180: ok 4020
180: ok 4021
180: ok 4022
180: ok 4023
180: ok 4024
180: ok 4025
180: ok 4026
180: ok 4027
180: ok 4028
180: ok 4029
180: ok 4030
180: ok 4031
180: ok 4032
180: ok 4033
180: ok 4034
180: ok 4035
180: ok 4036
180: ok 4037
180: ok 4038
180: ok 4039
180: ok 4040
180: ok 4041
180: ok 4042
180: ok 4043
180: ok 4044
180: ok 4045
180: ok 4046
180: ok 4047
180: ok 4048
180: ok 4049
180: ok 4050
180: ok 4051
180: ok 4052
180: ok 4053
180: ok 4054
180: ok 4055
180: ok 4056
180: ok 4057
180: ok 4058
180: ok 4059
180: ok 4060
180: ok 4061
180: ok 4062
180: ok 4063
180: ok 4064
180: ok 4065
180: ok 4066
180: ok 4067
180: ok 4068
180: ok 4069
180: ok 4070
180: ok 4071
180: ok 4072
180: ok 4073
180: ok 4074
180: ok 4075
180: ok 4076
180: ok 4077
180: ok 4078
180: ok 4079
180: ok 4080
180: ok 4081
180: ok 4082
180: ok 4083
180: ok 4084
180: ok 4085
180: ok 4086
180: ok 4087
180: ok 4088
180: ok 4089
180: ok 4090
180: ok 4091
180: ok 4092
180: ok 4093
180: ok 4094
180: ok 4095
180: ok 4096
180: ok 4097
180: ok 4098
180: ok 4099
180: ok 4100
180: ok 4101
180: ok 4102
180: ok 4103
180: ok 4104
180: ok 4105
180: ok 4106
180: ok 4107
180: ok 4108
180: ok 4109
180: ok 4110
180: ok 4111
180: ok 4112
180: ok 4113
180: ok 4114
180: ok 4115
180: ok 4116
180: ok 4117
180: ok 4118
180: ok 4119
180: ok 4120
180: ok 4121
180: ok 4122
180: ok 4123
180: ok 4124
180: ok 4125
180: ok 4126
180: ok 4127
180: ok 4128
180: ok 4129
180: ok 4130
180: ok 4131
180: ok 4132
180: ok 4133
180: ok 4134
180: ok 4135
180: ok 4136
180: ok 4137
180: ok 4138
180: ok 4139
180: ok 4140
180: ok 4141
180: ok 4142
180: ok 4143
180: ok 4144
180: ok 4145
180: ok 4146
180: ok 4147
180: ok 4148
180: ok 4149
180: ok 4150
180: ok 4151
180: ok 4152
180: ok 4153
180: ok 4154
180: ok 4155
180: ok 4156
180: ok 4157
180: ok 4158
180: ok 4159
180: ok 4160
180: ok 4161
180: ok 4162
180: ok 4163
180: ok 4164
180: ok 4165
180: ok 4166
180: ok 4167
180: ok 4168
180: ok 4169
180: ok 4170
180: ok 4171
180: ok 4172
180: ok 4173
180: ok 4174
180: ok 4175
180: ok 4176
180: ok 4177
180: ok 4178
180: ok 4179
180: ok 4180
180: ok 4181
180: ok 4182
180: ok 4183
180: ok 4184
180: ok 4185
180: ok 4186
180: ok 4187
180: ok 4188
180: ok 4189
180: ok 4190
180: ok 4191
180: ok 4192
180: ok 4193
180: ok 4194
180: ok 4195
180: ok 4196
180: ok 4197
180: ok 4198
180: ok 4199
180: ok 4200
180: ok 4201
180: ok 4202
180: ok 4203
180: ok 4204
180: ok 4205
180: ok 4206
180: ok 4207
180: ok 4208
180: ok 4209
180: ok 4210
180: ok 4211
180: ok 4212
180: ok 4213
180: ok 4214
180: ok 4215
180: ok 4216
180: ok 4217
180: ok 4218
180: ok 4219
180: ok 4220
180: ok 4221
180: ok 4222
180: ok 4223
180: ok 4224
180: ok 4225
180: ok 4226
180: ok 4227
180: ok 4228
180: ok 4229
180: ok 4230
180: ok 4231
180: ok 4232
180: ok 4233
180: ok 4234
180: ok 4235
180: ok 4236
180: ok 4237
180: ok 4238
180: ok 4239
180: ok 4240
180: ok 4241
180: ok 4242
180: ok 4243
180: ok 4244
180: ok 4245
180: ok 4246
180: ok 4247
180: ok 4248
180: ok 4249
180: ok 4250
180: ok 4251
180: ok 4252
180: ok 4253
180: ok 4254
180: ok 4255
180: ok 4256
180: ok 4257
180: ok 4258
180: ok 4259
180: ok 4260
180: ok 4261
180: ok 4262
180: ok 4263
180: ok 4264
180: ok 4265
180: ok 4266
180: ok 4267
180: ok 4268
180: ok 4269
180: ok 4270
180: ok 4271
180: ok 4272
180: ok 4273
180: ok 4274
180: ok 4275
180: ok 4276
180: ok 4277
180: ok 4278
180: ok 4279
180: ok 4280
180: ok 4281
180: ok 4282
180: ok 4283
180: ok 4284
180: ok 4285
180: ok 4286
180: ok 4287
180: ok 4288
180: ok 4289
180: ok 4290
180: ok 4291
180: ok 4292
180: ok 4293
180: ok 4294
180: ok 4295
180: ok 4296
180: ok 4297
180: ok 4298
180: ok 4299
180: ok 4300
180: ok 4301
180: ok 4302
180: ok 4303
180: ok 4304
180: ok 4305
180: ok 4306
180: ok 4307
180: ok 4308
180: ok 4309
180: ok 4310
180: ok 4311
180: ok 4312
180: ok 4313
180: ok 4314
180: ok 4315
180: ok 4316
180: ok 4317
180: ok 4318
180: ok 4319
180: ok 4320
180: ok 4321
180: ok 4322
180: ok 4323
180: ok 4324
180: ok 4325
180: ok 4326
180: ok 4327
180: ok 4328
180: ok 4329
180: ok 4330
180: ok 4331
180: ok 4332
180: ok 4333
180: ok 4334
180: ok 4335
180: ok 4336
180: ok 4337
180: ok 4338
180: ok 4339
180: ok 4340
180: ok 4341
180: ok 4342
180: ok 4343
180: ok 4344
180: ok 4345
180: ok 4346
180: ok 4347
180: ok 4348
180: ok 4349
180: ok 4350
180: ok 4351
180: ok 4352
180: ok 4353
180: ok 4354
180: ok 4355
180: ok 4356
180: ok 4357
180: ok 4358
180: ok 4359
180: ok 4360
180: ok 4361
180: ok 4362
180: ok 4363
180: ok 4364
180: ok 4365
180: ok 4366
180: ok 4367
180: ok 4368
180: ok 4369
180: ok 4370
180: ok 4371
180: ok 4372
180: ok 4373
180: ok 4374
180: ok 4375
180: ok 4376
180: ok 4377
180: ok 4378
180: ok 4379
180: ok 4380
180: ok 4381
180: ok 4382
180: ok 4383
180: ok 4384
180: ok 4385
180: ok 4386
180: ok 4387
180: ok 4388
180: ok 4389
180: ok 4390
180: ok 4391
180: ok 4392
180: ok 4393
180: ok 4394
180: ok 4395
180: ok 4396
180: ok 4397
180: ok 4398
180: ok 4399
180: ok 4400
180: ok 4401
180: ok 4402
180: ok 4403
180: ok 4404
180: ok 4405
180: ok 4406
180: ok 4407
180: ok 4408
180: ok 4409
180: ok 4410
180: ok 4411
180: ok 4412
180: ok 4413
180: ok 4414
180: ok 4415
180: ok 4416
180: ok 4417
180: ok 4418
180: ok 4419
180: ok 4420
180: ok 4421
180: ok 4422
180: ok 4423
180: ok 4424
180: ok 4425
180: ok 4426
180: ok 4427
180: ok 4428
180: ok 4429
180: ok 4430
180: ok 4431
180: ok 4432
180: ok 4433
180: ok 4434
180: ok 4435
180: ok 4436
180: ok 4437
180: ok 4438
180: ok 4439
180: ok 4440
180: ok 4441
180: ok 4442
180: ok 4443
180: ok 4444
180: ok 4445
180: ok 4446
180: ok 4447
180: ok 4448
180: ok 4449
180: ok 4450
180: ok 4451
180: ok 4452
180: ok 4453
180: ok 4454
180: ok 4455
180: ok 4456
180: ok 4457
180: ok 4458
180: ok 4459
180: ok 4460
180: ok 4461
180: ok 4462
180: ok 4463
180: ok 4464
180: ok 4465
180: ok 4466
180: ok 4467
180: ok 4468
180: ok 4469
180: ok 4470
180: ok 4471
180: ok 4472
180: ok 4473
180: ok 4474
180: ok 4475
180: ok 4476
180: ok 4477
180: ok 4478
180: ok 4479
180: ok 4480
180: ok 4481
180: ok 4482
180: ok 4483
180: ok 4484
180: ok 4485
180: ok 4486
180: ok 4487
180: ok 4488
180: ok 4489
180: ok 4490
180: ok 4491
180: ok 4492
180: ok 4493
180: ok 4494
180: ok 4495
180: ok 4496
180: ok 4497
180: ok 4498
180: ok 4499
180: ok 4500
180: ok 4501
180: ok 4502
180: ok 4503
180: ok 4504
180: ok 4505
180: ok 4506
180: ok 4507
180: ok 4508
180: ok 4509
180: ok 4510
180: ok 4511
180: ok 4512
180: ok 4513
180: ok 4514
180: ok 4515
180: ok 4516
180: ok 4517
180: ok 4518
180: ok 4519
180: ok 4520
180: ok 4521
180: ok 4522
180: ok 4523
180: ok 4524
180: ok 4525
180: ok 4526
180: ok 4527
180: ok 4528
180: ok 4529
180: ok 4530
180: ok 4531
180: ok 4532
180: ok 4533
180: ok 4534
180: ok 4535
180: ok 4536
180: ok 4537
180: ok 4538
180: ok 4539
180: ok 4540
180: ok 4541
180: ok 4542
180: ok 4543
180: ok 4544
180: ok 4545
180: ok 4546
180: ok 4547
180: ok 4548
180: ok 4549
180: ok 4550
180: ok 4551
180: ok 4552
180: ok 4553
180: ok 4554
180: ok 4555
180: ok 4556
180: ok 4557
180: ok 4558
180: ok 4559
180: ok 4560
180: ok 4561
180: ok 4562
180: ok 4563
180: ok 4564
180: ok 4565
180: ok 4566
180: ok 4567
180: ok 4568
180: ok 4569
180: ok 4570
180: ok 4571
180: ok 4572
180: ok 4573
180: ok 4574
180: ok 4575
180: ok 4576
180: ok 4577
180: ok 4578
180: ok 4579
180: ok 4580
180: ok 4581
180: ok 4582
180: ok 4583
180: ok 4584
180: ok 4585
180: ok 4586
180: ok 4587
180: ok 4588
180: ok 4589
180: ok 4590
180: ok 4591
180: ok 4592
180: ok 4593
180: ok 4594
180: ok 4595
180: ok 4596
180: ok 4597
180: ok 4598
180: ok 4599
180: ok 4600
180: ok 4601
180: ok 4602
180: ok 4603
180: ok 4604
180: ok 4605
180: ok 4606
180: ok 4607
180: ok 4608
180: ok 4609
180: ok 4610
180: ok 4611
180: ok 4612
180: ok 4613
180: ok 4614
180: ok 4615
180: ok 4616
180: ok 4617
180: ok 4618
180: ok 4619
180: ok 4620
180: ok 4621
180: ok 4622
180: ok 4623
180: ok 4624
180: ok 4625
180: ok 4626
180: ok 4627
180: ok 4628
180: ok 4629
180: ok 4630
180: ok 4631
180: ok 4632
180: ok 4633
180: ok 4634
180: ok 4635
180: ok 4636
180: ok 4637
180: ok 4638
180: ok 4639
180: ok 4640
180: ok 4641
180: ok 4642
180: ok 4643
180: ok 4644
180: ok 4645
180: ok 4646
180: ok 4647
180: ok 4648
180: ok 4649
180: ok 4650
180: ok 4651
180: ok 4652
180: ok 4653
180: ok 4654
180: ok 4655
180: ok 4656
180: ok 4657
180: ok 4658
180: ok 4659
180: ok 4660
180: ok 4661
180: ok 4662
180: ok 4663
180: ok 4664
180: ok 4665
180: ok 4666
180: ok 4667
180: ok 4668
180: ok 4669
180: ok 4670
180: ok 4671
180: ok 4672
180: ok 4673
180: ok 4674
180: ok 4675
180: ok 4676
180: ok 4677
180: ok 4678
180: ok 4679
180: ok 4680
180: ok 4681
180: ok 4682
180: ok 4683
180: ok 4684
180: ok 4685
180: ok 4686
180: ok 4687
180: ok 4688
180: ok 4689
180: ok 4690
180: ok 4691
180: ok 4692
180: ok 4693
180: ok 4694
180: ok 4695
180: ok 4696
180: ok 4697
180: ok 4698
180: ok 4699
180: ok 4700
180: ok 4701
180: ok 4702
180: ok 4703
180: ok 4704
180: ok 4705
180: ok 4706
180: ok 4707
180: ok 4708
180: ok 4709
180: ok 4710
180: ok 4711
180: ok 4712
180: ok 4713
180: ok 4714
180: ok 4715
180: ok 4716
180: ok 4717
180: ok 4718
180: ok 4719
180: ok 4720
180: ok 4721
180: ok 4722
180: ok 4723
180: ok 4724
180: ok 4725
180: ok 4726
180: ok 4727
180: ok 4728
180: ok 4729
180: ok 4730
180: ok 4731
180: ok 4732
180: ok 4733
180: ok 4734
180: ok 4735
180: ok 4736
180: ok 4737
180: ok 4738
180: ok 4739
180: ok 4740
180: ok 4741
180: ok 4742
180: ok 4743
180: ok 4744
180: ok 4745
180: ok 4746
180: ok 4747
180: ok 4748
180: ok 4749
180: ok 4750
180: ok 4751
180: ok 4752
180: ok 4753
180: ok 4754
180: ok 4755
180: ok 4756
180: ok 4757
180: ok 4758
180: ok 4759
180: ok 4760
180: ok 4761
180: ok 4762
180: ok 4763
180: ok 4764
180: ok 4765
180: ok 4766
180: ok 4767
180: ok 4768
180: ok 4769
180: ok 4770
180: ok 4771
180: ok 4772
180: ok 4773
180: ok 4774
180: ok 4775
180: ok 4776
180: ok 4777
180: ok 4778
180: ok 4779
180: ok 4780
180: ok 4781
180: ok 4782
180: ok 4783
180: ok 4784
180: ok 4785
180: ok 4786
180: ok 4787
180: ok 4788
180: ok 4789
180: ok 4790
180: ok 4791
180: ok 4792
180: ok 4793
180: ok 4794
180: ok 4795
180: ok 4796
180: ok 4797
180: ok 4798
180: ok 4799
180: ok 4800
180: ok 4801
180: ok 4802
180: ok 4803
180: ok 4804
180: ok 4805
180: ok 4806
180: ok 4807
180: ok 4808
180: ok 4809
180: ok 4810
180: ok 4811
180: ok 4812
180: ok 4813
180: ok 4814
180: ok 4815
180: ok 4816
180: ok 4817
180: ok 4818
180: ok 4819
180: ok 4820
180: ok 4821
180: ok 4822
180: ok 4823
180: ok 4824
180: ok 4825
180: ok 4826
180: ok 4827
180: ok 4828
180: ok 4829
180: ok 4830
180: ok 4831
180: ok 4832
180: ok 4833
180: ok 4834
180: ok 4835
180: ok 4836
180: ok 4837
180: ok 4838
180: ok 4839
180: ok 4840
180: ok 4841
180: ok 4842
180: ok 4843
180: ok 4844
180: ok 4845
180: ok 4846
180: ok 4847
180: ok 4848
180: ok 4849
180: ok 4850
180: ok 4851
180: ok 4852
180: ok 4853
180: ok 4854
180: ok 4855
180: ok 4856
180: ok 4857
180: ok 4858
180: ok 4859
180: ok 4860
180: ok 4861
180: ok 4862
180: ok 4863
180: ok 4864
180: ok 4865
180: ok 4866
180: ok 4867
180: ok 4868
180: ok 4869
180: ok 4870
180: ok 4871
180: ok 4872
180: ok 4873
180: ok 4874
180: ok 4875
180: ok 4876
180: ok 4877
180: ok 4878
180: ok 4879
180: ok 4880
180: ok 4881
180: ok 4882
180: ok 4883
180: ok 4884
180: ok 4885
180: ok 4886
180: ok 4887
180: ok 4888
180: ok 4889
180: ok 4890
180: ok 4891
180: ok 4892
180: ok 4893
180: ok 4894
180: ok 4895
180: ok 4896
180: ok 4897
180: ok 4898
180: ok 4899
180: ok 4900
180: ok 4901
180: ok 4902
180: ok 4903
180: ok 4904
180: ok 4905
180: ok 4906
180: ok 4907
180: ok 4908
180: ok 4909
180: ok 4910
180: ok 4911
180: ok 4912
180: ok 4913
180: ok 4914
180: ok 4915
180: ok 4916
180: ok 4917
180: ok 4918
180: ok 4919
180: ok 4920
180: ok 4921
180: ok 4922
180: ok 4923
180: ok 4924
180: ok 4925
180: ok 4926
180: ok 4927
180: ok 4928
180: ok 4929
180: ok 4930
180: ok 4931
180: ok 4932
180: ok 4933
180: ok 4934
180: ok 4935
180: ok 4936
180: ok 4937
180: ok 4938
180: ok 4939
180: ok 4940
180: ok 4941
180: ok 4942
180: ok 4943
180: ok 4944
180: ok 4945
180: ok 4946
180: ok 4947
180: ok 4948
180: ok 4949
180: ok 4950
180: ok 4951
180: ok 4952
180: ok 4953
180: ok 4954
180: ok 4955
180: ok 4956
180: ok 4957
180: ok 4958
180: ok 4959
180: ok 4960
180: ok 4961
180: ok 4962
180: ok 4963
180: ok 4964
180: ok 4965
180: ok 4966
180: ok 4967
180: ok 4968
180: ok 4969
180: ok 4970
180: ok 4971
180: ok 4972
180: ok 4973
180: ok 4974
180: ok 4975
180: ok 4976
180: ok 4977
180: ok 4978
180: ok 4979
180: ok 4980
180: ok 4981
180: ok 4982
180: ok 4983
180: ok 4984
180: ok 4985
180: ok 4986
180: ok 4987
180: ok 4988
180: ok 4989
180: ok 4990
180: ok 4991
180: ok 4992
180: ok 4993
180: ok 4994
180: ok 4995
180: ok 4996
180: ok 4997
180: ok 4998
180: ok 4999
180: ok 5000
180: ok 5001
180: ok 5002
180: ok 5003
180: ok 5004
180: ok 5005
180: ok 5006
180: ok 5007
180: ok 5008
180: ok 5009
180: ok 5010
180: ok 5011
180: ok 5012
180: ok 5013
180: ok 5014
180: ok 5015
180: ok 5016
180: ok 5017
180: ok 5018
180: ok 5019
180: ok 5020
180: ok 5021
180: ok 5022
180: ok 5023
180: ok 5024
180: ok 5025
180: ok 5026
180: ok 5027
180: ok 5028
180: ok 5029
180: ok 5030
180: ok 5031
180: ok 5032
180: ok 5033
180: ok 5034
180: ok 5035
180: ok 5036
180: ok 5037
180: ok 5038
180: ok 5039
180: ok 5040
180: ok 5041
180: ok 5042
180: ok 5043
180: ok 5044
180: ok 5045
180: ok 5046
180: ok 5047
180: ok 5048
180: ok 5049
180: ok 5050
180: ok 5051
180: ok 5052
180: ok 5053
180: ok 5054
180: ok 5055
180: ok 5056
180: ok 5057
180: ok 5058
180: ok 5059
180: ok 5060
180: ok 5061
180: ok 5062
180: ok 5063
180: ok 5064
180: ok 5065
180: ok 5066
180: ok 5067
180: ok 5068
180: ok 5069
180: ok 5070
180: ok 5071
180: ok 5072
180: ok 5073
180: ok 5074
180: ok 5075
180: ok 5076
180: ok 5077
180: ok 5078
180: ok 5079
180: ok 5080
180: ok 5081
180: ok 5082
180: ok 5083
180: ok 5084
180: ok 5085
180: ok 5086
180: ok 5087
180: ok 5088
180: ok 5089
180: ok 5090
180: ok 5091
180: ok 5092
180: ok 5093
180: ok 5094
180: ok 5095
180: ok 5096
180: ok 5097
180: ok 5098
180: ok 5099
180: ok 5100
180: ok 5101
180: ok 5102
180: ok 5103
180: ok 5104
180: ok 5105
180: ok 5106
180: ok 5107
180: ok 5108
180: ok 5109
180: ok 5110
180: ok 5111
180: ok 5112
180: ok 5113
180: ok 5114
180: ok 5115
180: ok 5116
180: ok 5117
180: ok 5118
180: ok 5119
180: ok 5120
180: ok 5121
180: ok 5122
180: ok 5123
180: ok 5124
180: ok 5125
180: ok 5126
180: ok 5127
180: ok 5128
180: ok 5129
180: ok 5130
180: ok 5131
180: ok 5132
180: ok 5133
180: ok 5134
180: ok 5135
180: ok 5136
180: ok 5137
180: ok 5138
180: ok 5139
180: ok 5140
180: ok 5141
180: ok 5142
180: ok 5143
180: ok 5144
180: ok 5145
180: ok 5146
180: ok 5147
180: ok 5148
180: ok 5149
180: ok 5150
180: ok 5151
180: ok 5152
180: ok 5153
180: ok 5154
180: ok 5155
180: ok 5156
180: ok 5157
180: ok 5158
180: ok 5159
180: ok 5160
180: ok 5161
180: ok 5162
180: ok 5163
180: ok 5164
180: ok 5165
180: ok 5166
180: ok 5167
180: ok 5168
180: ok 5169
180: ok 5170
180: ok 5171
180: ok 5172
180: ok 5173
180: ok 5174
180: ok 5175
180: ok 5176
180: ok 5177
180: ok 5178
180: ok 5179
180: ok 5180
180: ok 5181
180: ok 5182
180: ok 5183
180: ok 5184
180: ok 5185
180: ok 5186
180: ok 5187
180: ok 5188
180: ok 5189
180: ok 5190
180: ok 5191
180: ok 5192
180: ok 5193
180: ok 5194
180: ok 5195
180: ok 5196
180: ok 5197
180: ok 5198
180: ok 5199
180: ok 5200
180: ok 5201
180: ok 5202
180: ok 5203
180: ok 5204
180: ok 5205
180: ok 5206
180: ok 5207
180: ok 5208
180: ok 5209
180: ok 5210
180: ok 5211
180: ok 5212
180: ok 5213
180: ok 5214
180: ok 5215
180: ok 5216
180: ok 5217
180: ok 5218
180: ok 5219
180: ok 5220
180: ok 5221
180: ok 5222
180: ok 5223
180: ok 5224
180: ok 5225
180: ok 5226
180: ok 5227
180: ok 5228
180: ok 5229
180: ok 5230
180: ok 5231
180: ok 5232
180: ok 5233
180: ok 5234
180: ok 5235
180: ok 5236
180: ok 5237
180: ok 5238
180: ok 5239
180: ok 5240
180: ok 5241
180: ok 5242
180: ok 5243
180: ok 5244
180: ok 5245
180: ok 5246
180: ok 5247
180: ok 5248
180: ok 5249
180: ok 5250
180: ok 5251
180: ok 5252
180: ok 5253
180: ok 5254
180: ok 5255
180: ok 5256
180: ok 5257
180: ok 5258
180: ok 5259
180: ok 5260
180: ok 5261
180: ok 5262
180: ok 5263
180: ok 5264
180: ok 5265
180: ok 5266
180: ok 5267
180: ok 5268
180: ok 5269
180: ok 5270
180: ok 5271
180: ok 5272
180: ok 5273
180: ok 5274
180: ok 5275
180: ok 5276
180: ok 5277
180: ok 5278
180: ok 5279
180: ok 5280
180: ok 5281
180: ok 5282
180: ok 5283
180: ok 5284
180: ok 5285
180: ok 5286
180: ok 5287
180: ok 5288
180: ok 5289
180: ok 5290
180: ok 5291
180: ok 5292
180: ok 5293
180: ok 5294
180: ok 5295
180: ok 5296
180: ok 5297
180: ok 5298
180: ok 5299
180: ok 5300
180: ok 5301
180: ok 5302
180: ok 5303
180: ok 5304
180: ok 5305
180: ok 5306
180: ok 5307
180: ok 5308
180: ok 5309
180: ok 5310
180: ok 5311
180: ok 5312
180: ok 5313
180: ok 5314
180: ok 5315
180: ok 5316
180: ok 5317
180: ok 5318
180: ok 5319
180: ok 5320
180: ok 5321
180: ok 5322
180: ok 5323
180: ok 5324
180: ok 5325
180: ok 5326
180: ok 5327
180: ok 5328
180: ok 5329
180: ok 5330
180: ok 5331
180: ok 5332
180: ok 5333
180: ok 5334
180: ok 5335
180: ok 5336
180: ok 5337
180: ok 5338
180: ok 5339
180: ok 5340
180: ok 5341
180: ok 5342
180: ok 5343
180: ok 5344
180: ok 5345
180: ok 5346
180: ok 5347
180: ok 5348
180: ok 5349
180: ok 5350
180: ok 5351
180: ok 5352
180: ok 5353
180: ok 5354
180: ok 5355
180: ok 5356
180: ok 5357
180: ok 5358
180: ok 5359
180: ok 5360
180: ok 5361
180: ok 5362
180: ok 5363
180: ok 5364
180: ok 5365
180: ok 5366
180: ok 5367
180: ok 5368
180: ok 5369
180: ok 5370
180: ok 5371
180: ok 5372
180: ok 5373
180: ok 5374
180: ok 5375
180: ok 5376
180: ok 5377
180: ok 5378
180: ok 5379
180: ok 5380
180: ok 5381
180: ok 5382
180: ok 5383
180: ok 5384
180: ok 5385
180: ok 5386
180: ok 5387
180: ok 5388
180: ok 5389
180: ok 5390
180: ok 5391
180: ok 5392
180: ok 5393
180: ok 5394
180: ok 5395
180: ok 5396
180: ok 5397
180: ok 5398
180: ok 5399
180: ok 5400
180: ok 5401
180: ok 5402
180: ok 5403
180: ok 5404
180: ok 5405
180: ok 5406
180: ok 5407
180: ok 5408
180: ok 5409
180: ok 5410
180: ok 5411
180: ok 5412
180: ok 5413
180: ok 5414
180: ok 5415
180: ok 5416
180: ok 5417
180: ok 5418
180: ok 5419
180: ok 5420
180: ok 5421
180: ok 5422
180: ok 5423
180: ok 5424
180: ok 5425
180: ok 5426
180: ok 5427
180: ok 5428
180: ok 5429
180: ok 5430
180: ok 5431
180: ok 5432
180: ok 5433
180: ok 5434
180: ok 5435
180: ok 5436
180: ok 5437
180: ok 5438
180: ok 5439
180: ok 5440
180: ok 5441
180: ok 5442
180: ok 5443
180: ok 5444
180: ok 5445
180: ok 5446
180: ok 5447
180: ok 5448
180: ok 5449
180: ok 5450
180: ok 5451
180: ok 5452
180: ok 5453
180: ok 5454
180: ok 5455
180: ok 5456
180: ok 5457
180: ok 5458
180: ok 5459
180: ok 5460
180: ok 5461
180: ok 5462
180: ok 5463
180: ok 5464
180: ok 5465
180: ok 5466
180: ok 5467
180: ok 5468
180: ok 5469
180: ok 5470
180: ok 5471
180: ok 5472
180: ok 5473
180: ok 5474
180: ok 5475
180: ok 5476
180: ok 5477
180: ok 5478
180: ok 5479
180: ok 5480
180: ok 5481
180: ok 5482
180: ok 5483
180: ok 5484
180: ok 5485
180: ok 5486
180: ok 5487
180: ok 5488
180: ok 5489
180: ok 5490
180: ok 5491
180: ok 5492
180: ok 5493
180: ok 5494
180: ok 5495
180: ok 5496
180: ok 5497
180: ok 5498
180: ok 5499
180: ok 5500
180: ok 5501
180: ok 5502
180: ok 5503
180: ok 5504
180: ok 5505
180: ok 5506
180: ok 5507
180: ok 5508
180: ok 5509
180: ok 5510
180: ok 5511
180: ok 5512
180: ok 5513
180: ok 5514
180: ok 5515
180: ok 5516
180: ok 5517
180: ok 5518
180: ok 5519
180: ok 5520
180: ok 5521
180: ok 5522
180: ok 5523
180: ok 5524
180: ok 5525
180: ok 5526
180: ok 5527
180: ok 5528
180: ok 5529
180: ok 5530
180: ok 5531
180: ok 5532
180: ok 5533
180: ok 5534
180: ok 5535
180: ok 5536
180: ok 5537
180: ok 5538
180: ok 5539
180: ok 5540
180: ok 5541
180: ok 5542
180: ok 5543
180: ok 5544
180: ok 5545
180: ok 5546
180: ok 5547
180: ok 5548
180: ok 5549
180: ok 5550
180: ok 5551
180: ok 5552
180: ok 5553
180: ok 5554
180: ok 5555
180: ok 5556
180: ok 5557
180: ok 5558
180: ok 5559
180: ok 5560
180: ok 5561
180: ok 5562
180: ok 5563
180: ok 5564
180: ok 5565
180: ok 5566
180: ok 5567
180: ok 5568
180: ok 5569
180: ok 5570
180: ok 5571
180: ok 5572
180: ok 5573
180: ok 5574
180: ok 5575
180: ok 5576
180: ok 5577
180: ok 5578
180: ok 5579
180: ok 5580
180: ok 5581
180: ok 5582
180: ok 5583
180: ok 5584
180: ok 5585
180: ok 5586
180: ok 5587
180: ok 5588
180: ok 5589
180: ok 5590
180: ok 5591
180: ok 5592
180: ok 5593
180: ok 5594
180: ok 5595
180: ok 5596
180: ok 5597
180: ok 5598
180: ok 5599
180: ok 5600
180: ok 5601
180: ok 5602
180: ok 5603
180: ok 5604
180: ok 5605
180: ok 5606
180: ok 5607
180: ok 5608
180: ok 5609
180: ok 5610
180: ok 5611
180: ok 5612
180: ok 5613
180: ok 5614
180: ok 5615
180: ok 5616
180: ok 5617
180: ok 5618
180: ok 5619
180: ok 5620
180: ok 5621
180: ok 5622
180: ok 5623
180: ok 5624
180: ok 5625
180: ok 5626
180: ok 5627
180: ok 5628
180: ok 5629
180: ok 5630
180: ok 5631
180: ok 5632
180: ok 5633
180: ok 5634
180: ok 5635
180: ok 5636
180: ok 5637
180: ok 5638
180: ok 5639
180: ok 5640
180: ok 5641
180: ok 5642
180: ok 5643
180: ok 5644
180: ok 5645
180: ok 5646
180: ok 5647
180: ok 5648
180: ok 5649
180: ok 5650
180: ok 5651
180: ok 5652
180: ok 5653
180: ok 5654
180: ok 5655
180: ok 5656
180: ok 5657
180: ok 5658
180: ok 5659
180: ok 5660
180: ok 5661
180: ok 5662
180: ok 5663
180: ok 5664
180: ok 5665
180: ok 5666
180: ok 5667
180: ok 5668
180: ok 5669
180: ok 5670
180: ok 5671
180: ok 5672
180: ok 5673
180: ok 5674
180: ok 5675
180: ok 5676
180: ok 5677
180: ok 5678
180: ok 5679
180: ok 5680
180: ok 5681
180: ok 5682
180: ok 5683
180: ok 5684
180: ok 5685
180: ok 5686
180: ok 5687
180: ok 5688
180: ok 5689
180: ok 5690
180: ok 5691
180: ok 5692
180: ok 5693
180: ok 5694
180: ok 5695
180: ok 5696
180: ok 5697
180: ok 5698
180: ok 5699
180: ok 5700
180: ok 5701
180: ok 5702
180: ok 5703
180: ok 5704
180: ok 5705
180: ok 5706
180: ok 5707
180: ok 5708
180: ok 5709
180: ok 5710
180: ok 5711
180: ok 5712
180: ok 5713
180: ok 5714
180: ok 5715
180: ok 5716
180: ok 5717
180: ok 5718
180: ok 5719
180: ok 5720
180: ok 5721
180: ok 5722
180: ok 5723
180: ok 5724
180: ok 5725
180: ok 5726
180: ok 5727
180: ok 5728
180: ok 5729
180: ok 5730
180: ok 5731
180: ok 5732
180: ok 5733
180: ok 5734
180: ok 5735
180: ok 5736
180: ok 5737
180: ok 5738
180: ok 5739
180: ok 5740
180: ok 5741
180: ok 5742
180: ok 5743
180: ok 5744
180: ok 5745
180: ok 5746
180: ok 5747
180: ok 5748
180: ok 5749
180: ok 5750
180: ok 5751
180: ok 5752
180: ok 5753
180: ok 5754
180: ok 5755
180: ok 5756
180: ok 5757
180: ok 5758
180: ok 5759
180: ok 5760
180: ok 5761
180: ok 5762
180: ok 5763
180: ok 5764
180: ok 5765
180: ok 5766
180: ok 5767
180: ok 5768
180: ok 5769
180: ok 5770
180: ok 5771
180: ok 5772
180: ok 5773
180: ok 5774
180: ok 5775
180: ok 5776
180: ok 5777
180: ok 5778
180: ok 5779
180: ok 5780
180: ok 5781
180: ok 5782
180: ok 5783
180: ok 5784
180: ok 5785
180: ok 5786
180: ok 5787
180: ok 5788
180: ok 5789
180: ok 5790
180: ok 5791
180: ok 5792
180: ok 5793
180: ok 5794
180: ok 5795
180: ok 5796
180: ok 5797
180: ok 5798
180: ok 5799
180: ok 5800
180: ok 5801
180: ok 5802
180: ok 5803
180: ok 5804
180: ok 5805
180: ok 5806
180: ok 5807
180: ok 5808
180: ok 5809
180: ok 5810
180: ok 5811
180: ok 5812
180: ok 5813
180: ok 5814
180: ok 5815
180: ok 5816
180: ok 5817
180: ok 5818
180: ok 5819
180: ok 5820
180: ok 5821
180: ok 5822
180: ok 5823
180: ok 5824
180: ok 5825
180: ok 5826
180: ok 5827
180: ok 5828
180: ok 5829
180: ok 5830
180: ok 5831
180: ok 5832
180: ok 5833
180: ok 5834
180: ok 5835
180: ok 5836
180: ok 5837
180: ok 5838
180: ok 5839
180: ok 5840
180: ok 5841
180: ok 5842
180: ok 5843
180: ok 5844
180: ok 5845
180: ok 5846
180: ok 5847
180: ok 5848
180: ok 5849
180: ok 5850
180: ok 5851
180: ok 5852
180: ok 5853
180: ok 5854
180: ok 5855
180: ok 5856
180: ok 5857
180: ok 5858
180: ok 5859
180: ok 5860
180: ok 5861
180: ok 5862
180: ok 5863
180: ok 5864
180: ok 5865
180: ok 5866
180: ok 5867
180: ok 5868
180: ok 5869
180: ok 5870
180: ok 5871
180: ok 5872
180: ok 5873
180: ok 5874
180: ok 5875
180: ok 5876
180: ok 5877
180: ok 5878
180: ok 5879
180: ok 5880
180: ok 5881
180: ok 5882
180: ok 5883
180: ok 5884
180: ok 5885
180: ok 5886
180: ok 5887
180: ok 5888
180: ok 5889
180: ok 5890
180: ok 5891
180: ok 5892
180: ok 5893
180: ok 5894
180: ok 5895
180: ok 5896
180: ok 5897
180: ok 5898
180: ok 5899
180: ok 5900
180: ok 5901
180: ok 5902
180: ok 5903
180: ok 5904
180: ok 5905
180: ok 5906
180: ok 5907
180: ok 5908
180: ok 5909
180: ok 5910
180: ok 5911
180: ok 5912
180: ok 5913
180: ok 5914
180: ok 5915
180: ok 5916
180: ok 5917
180: ok 5918
180: ok 5919
180: ok 5920
180: ok 5921
180: ok 5922
180: ok 5923
180: ok 5924
180: ok 5925
180: ok 5926
180: ok 5927
180: ok 5928
180: ok 5929
180: ok 5930
180: ok 5931
180: ok 5932
180: ok 5933
180: ok 5934
180: ok 5935
180: ok 5936
180: ok 5937
180: ok 5938
180: ok 5939
180: ok 5940
180: ok 5941
180: ok 5942
180: ok 5943
180: ok 5944
180: ok 5945
180: ok 5946
180: ok 5947
180: ok 5948
180: ok 5949
180: ok 5950
180: ok 5951
180: ok 5952
180: ok 5953
180: ok 5954
180: ok 5955
180: ok 5956
180: ok 5957
180: ok 5958
180: ok 5959
180: ok 5960
180: ok 5961
180: ok 5962
180: ok 5963
180: ok 5964
180: ok 5965
180: ok 5966
180: ok 5967
180: ok 5968
180: ok 5969
180: ok 5970
180: ok 5971
180: ok 5972
180: ok 5973
180: ok 5974
180: ok 5975
180: ok 5976
180: ok 5977
180: ok 5978
180: ok 5979
180: ok 5980
180: ok 5981
180: ok 5982
180: ok 5983
180: ok 5984
180: ok 5985
180: ok 5986
180: ok 5987
180: ok 5988
180: ok 5989
180: ok 5990
180: ok 5991
180: ok 5992
180: ok 5993
180: ok 5994
180: ok 5995
180: ok 5996
180: ok 5997
180: ok 5998
180: ok 5999
180: ok 6000
180: ok 6001
180: ok 6002
180: ok 6003
180: ok 6004
180: ok 6005
180: ok 6006
180: ok 6007
180: ok 6008
180: ok 6009
180: ok 6010
180: ok 6011
180: ok 6012
180: ok 6013
180: ok 6014
180: ok 6015
180: ok 6016
180: ok 6017
180: ok 6018
180: ok 6019
180: ok 6020
180: ok 6021
180: ok 6022
180: ok 6023
180: ok 6024
180: ok 6025
180: ok 6026
180: ok 6027
180: ok 6028
180: ok 6029
180: ok 6030
180: ok 6031
180: ok 6032
180: ok 6033
180: ok 6034
180: ok 6035
180: ok 6036
180: ok 6037
180: ok 6038
180: ok 6039
180: ok 6040
180: ok 6041
180: ok 6042
180: ok 6043
180: ok 6044
180: ok 6045
180: ok 6046
180: ok 6047
180: ok 6048
180: ok 6049
180: ok 6050
180: ok 6051
180: ok 6052
180: ok 6053
180: ok 6054
180: ok 6055
180: ok 6056
180: ok 6057
180: ok 6058
180: ok 6059
180: ok 6060
180: ok 6061
180: ok 6062
180: ok 6063
180: ok 6064
180: ok 6065
180: ok 6066
180: ok 6067
180: ok 6068
180: ok 6069
180: ok 6070
180: ok 6071
180: ok 6072
180: ok 6073
180: ok 6074
180: ok 6075
180: ok 6076
180: ok 6077
180: ok 6078
180: ok 6079
180: ok 6080
180: ok 6081
180: ok 6082
180: ok 6083
180: ok 6084
180: ok 6085
180: ok 6086
180: ok 6087
180: ok 6088
180: ok 6089
180: ok 6090
180: ok 6091
180: ok 6092
180: ok 6093
180: ok 6094
180: ok 6095
180: ok 6096
180: ok 6097
180: ok 6098
180: ok 6099
180: ok 6100
180: ok 6101
180: ok 6102
180: ok 6103
180: ok 6104
180: ok 6105
180: ok 6106
180: ok 6107
180: ok 6108
180: ok 6109
180: ok 6110
180: ok 6111
180: ok 6112
180: ok 6113
180: ok 6114
180: ok 6115
180: ok 6116
180: ok 6117
180: ok 6118
180: ok 6119
180: ok 6120
180: ok 6121
180: ok 6122
180: ok 6123
180: ok 6124
180: ok 6125
180: ok 6126
180: ok 6127
180: ok 6128
180: ok 6129
180: ok 6130
180: ok 6131
180: ok 6132
180: ok 6133
180: ok 6134
180: ok 6135
180: ok 6136
180: ok 6137
180: ok 6138
180: ok 6139
180: ok 6140
180: ok 6141
180: ok 6142
180: ok 6143
180: ok 6144
180: ok 6145
180: ok 6146
180: ok 6147
180: ok 6148
180: ok 6149
180: ok 6150
180: ok 6151
180: ok 6152
180: ok 6153
180: ok 6154
180: ok 6155
180: ok 6156
180: ok 6157
180: ok 6158
180: ok 6159
180: ok 6160
180: ok 6161
180: ok 6162
180: ok 6163
180: ok 6164
180: ok 6165
180: ok 6166
180: ok 6167
180: ok 6168
180: ok 6169
180: ok 6170
180: ok 6171
180: ok 6172
180: ok 6173
180: ok 6174
180: ok 6175
180: ok 6176
180: ok 6177
180: ok 6178
180: ok 6179
180: ok 6180
180: ok 6181
180: ok 6182
180: ok 6183
180: ok 6184
180: ok 6185
180: ok 6186
180: ok 6187
180: ok 6188
180: ok 6189
180: ok 6190
180: ok 6191
180: ok 6192
180: ok 6193
180: ok 6194
180: ok 6195
180: ok 6196
180: ok 6197
180: ok 6198
180: ok 6199
180: ok 6200
180: ok 6201
180: ok 6202
180: ok 6203
180: ok 6204
180: ok 6205
180: ok 6206
180: ok 6207
180: ok 6208
180: ok 6209
180: ok 6210
180: ok 6211
180: ok 6212
180: ok 6213
180: ok 6214
180: ok 6215
180: ok 6216
180: ok 6217
180: ok 6218
180: ok 6219
180: ok 6220
180: ok 6221
180: ok 6222
180: ok 6223
180: ok 6224
180: ok 6225
180: ok 6226
180: ok 6227
180: ok 6228
180: ok 6229
180: ok 6230
180: ok 6231
180: ok 6232
180: ok 6233
180: ok 6234
180: ok 6235
180: ok 6236
180: ok 6237
180: ok 6238
180: ok 6239
180: ok 6240
180: ok 6241
180: ok 6242
180: ok 6243
180: ok 6244
180: ok 6245
180: ok 6246
180: ok 6247
180: ok 6248
180: ok 6249
180: ok 6250
180: ok 6251
180: ok 6252
180: ok 6253
180: ok 6254
180: ok 6255
180: ok 6256
180: ok 6257
180: ok 6258
180: ok 6259
180: ok 6260
180: ok 6261
180: ok 6262
180: ok 6263
180: ok 6264
180: ok 6265
180: ok 6266
180: ok 6267
180: ok 6268
180: ok 6269
180: ok 6270
180: ok 6271
180: ok 6272
180: ok 6273
180: ok 6274
180: ok 6275
180: ok 6276
180: ok 6277
180: ok 6278
180: ok 6279
180: ok 6280
180: ok 6281
180: ok 6282
180: ok 6283
180: ok 6284
180: ok 6285
180: ok 6286
180: ok 6287
180: ok 6288
180: ok 6289
180: ok 6290
180: ok 6291
180: ok 6292
180: ok 6293
180: ok 6294
180: ok 6295
180: ok 6296
180: ok 6297
180: ok 6298
180: ok 6299
180: ok 6300
180: ok 6301
180: ok 6302
180: ok 6303
180: ok 6304
180: ok 6305
180: ok 6306
180: ok 6307
180: ok 6308
180: ok 6309
180: ok 6310
180: ok 6311
180: ok 6312
180: ok 6313
180: ok 6314
180: ok 6315
180: ok 6316
180: ok 6317
180: ok 6318
180: ok 6319
180: ok 6320
180: ok 6321
180: ok 6322
180: ok 6323
180: ok 6324
180: ok 6325
180: ok 6326
180: ok 6327
180: ok 6328
180: ok 6329
180: ok 6330
180: ok 6331
180: ok 6332
180: ok 6333
180: ok 6334
180: ok 6335
180: ok 6336
180: ok 6337
180: ok 6338
180: ok 6339
180: ok 6340
180: ok 6341
180: ok 6342
180: ok 6343
180: ok 6344
180: ok 6345
180: ok 6346
180: ok 6347
180: ok 6348
180: ok 6349
180: ok 6350
180: ok 6351
180: ok 6352
180: ok 6353
180: ok 6354
180: ok 6355
180: ok 6356
180: ok 6357
180: ok 6358
180: ok 6359
180: ok 6360
180: ok 6361
180: ok 6362
180: ok 6363
180: ok 6364
180: ok 6365
180: ok 6366
180: ok 6367
180: ok 6368
180: ok 6369
180: ok 6370
180: ok 6371
180: ok 6372
180: ok 6373
180: ok 6374
180: ok 6375
180: ok 6376
180: ok 6377
180: ok 6378
180: ok 6379
180: ok 6380
180: ok 6381
180: ok 6382
180: ok 6383
180: ok 6384
180: ok 6385
180: ok 6386
180: ok 6387
180: ok 6388
180: ok 6389
180: ok 6390
180: ok 6391
180: ok 6392
180: ok 6393
180: ok 6394
180: ok 6395
180: ok 6396
180: ok 6397
180: ok 6398
180: ok 6399
180: ok 6400
180: ok 6401
180: ok 6402
180: ok 6403
180: ok 6404
180: ok 6405
180: ok 6406
180: ok 6407
180: ok 6408
180: ok 6409
180: ok 6410
180: ok 6411
180: ok 6412
180: ok 6413
180: ok 6414
180: ok 6415
180: ok 6416
180: ok 6417
180: ok 6418
180: ok 6419
180: ok 6420
180: ok 6421
180: ok 6422
180: ok 6423
180: ok 6424
180: ok 6425
180: ok 6426
180: ok 6427
180: ok 6428
180: ok 6429
180: ok 6430
180: ok 6431
180: ok 6432
180: ok 6433
180: ok 6434
180: ok 6435
180: ok 6436
180: ok 6437
180: ok 6438
180: ok 6439
180: ok 6440
180: ok 6441
180: ok 6442
180: ok 6443
180: ok 6444
180: ok 6445
180: ok 6446
180: ok 6447
180: ok 6448
180: ok 6449
180: ok 6450
180: ok 6451
180: ok 6452
180: ok 6453
180: ok 6454
180: ok 6455
180: ok 6456
180: ok 6457
180: ok 6458
180: ok 6459
180: ok 6460
180: ok 6461
180: ok 6462
180: ok 6463
180: ok 6464
180: ok 6465
180: ok 6466
180: ok 6467
180: ok 6468
180: ok 6469
180: ok 6470
180: ok 6471
180: ok 6472
180: ok 6473
180: ok 6474
180: ok 6475
180: ok 6476
180: ok 6477
180: ok 6478
180: ok 6479
180: ok 6480
180: ok 6481
180: ok 6482
180: ok 6483
180: ok 6484
180: ok 6485
180: ok 6486
180: ok 6487
180: ok 6488
180: ok 6489
180: ok 6490
180: ok 6491
180: ok 6492
180: ok 6493
180: ok 6494
180: ok 6495
180: ok 6496
180: ok 6497
180: ok 6498
180: ok 6499
180: ok 6500
180: ok 6501
180: ok 6502
180: ok 6503
180: ok 6504
180: ok 6505
180: ok 6506
180: ok 6507
180: ok 6508
180: ok 6509
180: ok 6510
180: ok 6511
180: ok 6512
180: ok 6513
180: ok 6514
180: ok 6515
180: ok 6516
180: ok 6517
180: ok 6518
180: ok 6519
180: ok 6520
180: ok 6521
180: ok 6522
180: ok 6523
180: ok 6524
180: ok 6525
180: ok 6526
180: ok 6527
180: ok 6528
180: ok 6529
180: ok 6530
180: ok 6531
180: ok 6532
180: ok 6533
180: ok 6534
180: ok 6535
180: ok 6536
180: ok 6537
180: ok 6538
180: ok 6539
180: ok 6540
180: ok 6541
180: ok 6542
180: ok 6543
180: ok 6544
180: ok 6545
180: ok 6546
180: ok 6547
180: ok 6548
180: ok 6549
180: ok 6550
180: ok 6551
180: ok 6552
180: ok 6553
180: ok 6554
180: ok 6555
180: ok 6556
180: ok 6557
180: ok 6558
180: ok 6559
180: ok 6560
180: ok 6561
180: ok 6562
180: ok 6563
180: ok 6564
180: ok 6565
180: ok 6566
180: ok 6567
180: ok 6568
180: ok 6569
180: ok 6570
180: ok 6571
180: ok 6572
180: ok 6573
180: ok 6574
180: ok 6575
180: ok 6576
180: ok 6577
180: ok 6578
180: ok 6579
180: ok 6580
180: ok 6581
180: ok 6582
180: ok 6583
180: ok 6584
180: ok 6585
180: ok 6586
180: ok 6587
180: ok 6588
180: ok 6589
180: ok 6590
180: ok 6591
180: ok 6592
180: ok 6593
180: ok 6594
180: ok 6595
180: ok 6596
180: ok 6597
180: ok 6598
180: ok 6599
180: ok 6600
180: ok 6601
180: ok 6602
180: ok 6603
180: ok 6604
180: ok 6605
180: ok 6606
180: ok 6607
180: ok 6608
180: ok 6609
180: ok 6610
180: ok 6611
180: ok 6612
180: ok 6613
180: ok 6614
180: ok 6615
180: ok 6616
180: ok 6617
180: ok 6618
180: ok 6619
180: ok 6620
180: ok 6621
180: ok 6622
180: ok 6623
180: ok 6624
180: ok 6625
180: ok 6626
180: ok 6627
180: ok 6628
180: ok 6629
180: ok 6630
180: ok 6631
180: ok 6632
180: ok 6633
180: ok 6634
180: ok 6635
180: ok 6636
180: ok 6637
180: ok 6638
180: ok 6639
180: ok 6640
180: ok 6641
180: ok 6642
180: ok 6643
180: ok 6644
180: ok 6645
180: ok 6646
180: ok 6647
180: ok 6648
180: ok 6649
180: ok 6650
180: ok 6651
180: ok 6652
180: ok 6653
180: ok 6654
180: ok 6655
180: ok 6656
180: ok 6657
180: ok 6658
180: ok 6659
180: ok 6660
180: ok 6661
180: ok 6662
180: ok 6663
180: ok 6664
180: ok 6665
180: ok 6666
180: ok 6667
180: ok 6668
180: ok 6669
180: ok 6670
180: ok 6671
180: ok 6672
180: ok 6673
180: ok 6674
180: ok 6675
180: ok 6676
180: ok 6677
180: ok 6678
180: ok 6679
180: ok 6680
180: ok 6681
180: ok 6682
180: ok 6683
180: ok 6684
180: ok 6685
180: ok 6686
180: ok 6687
180: ok 6688
180: ok 6689
180: ok 6690
180: ok 6691
180: ok 6692
180: ok 6693
180: ok 6694
180: ok 6695
180: ok 6696
180: ok 6697
180: ok 6698
180: ok 6699
180: ok 6700
180: ok 6701
180: ok 6702
180: ok 6703
180: ok 6704
180: ok 6705
180: ok 6706
180: ok 6707
180: ok 6708
180: ok 6709
180: ok 6710
180: ok 6711
180: ok 6712
180: ok 6713
180: ok 6714
180: ok 6715
180: ok 6716
180: ok 6717
180: ok 6718
180: ok 6719
180: ok 6720
180: ok 6721
180: ok 6722
180: ok 6723
180: ok 6724
180: ok 6725
180: ok 6726
180: ok 6727
180: ok 6728
180: ok 6729
180: ok 6730
180: ok 6731
180: ok 6732
180: ok 6733
180: ok 6734
180: ok 6735
180: ok 6736
180: ok 6737
180: ok 6738
180: ok 6739
180: ok 6740
180: ok 6741
180: ok 6742
180: ok 6743
180: ok 6744
180: ok 6745
180: ok 6746
180: ok 6747
180: ok 6748
180: ok 6749
180: ok 6750
180: ok 6751
180: ok 6752
180: ok 6753
180: ok 6754
180: ok 6755
180: ok 6756
180: ok 6757
180: ok 6758
180: ok 6759
180: ok 6760
180: ok 6761
180: ok 6762
180: ok 6763
180: ok 6764
180: ok 6765
180: ok 6766
180: ok 6767
180: ok 6768
180: ok 6769
180: ok 6770
180: ok 6771
180: ok 6772
180: ok 6773
180: ok 6774
180: ok 6775
180: ok 6776
180: ok 6777
180: ok 6778
180: ok 6779
180: ok 6780
180: ok 6781
180: ok 6782
180: ok 6783
180: ok 6784
180: ok 6785
180: ok 6786
180: ok 6787
180: ok 6788
180: ok 6789
180: ok 6790
180: ok 6791
180: ok 6792
180: ok 6793
180: ok 6794
180: ok 6795
180: ok 6796
180: ok 6797
180: ok 6798
180: ok 6799
180: ok 6800
180: ok 6801
180: ok 6802
180: ok 6803
180: ok 6804
180: ok 6805
180: ok 6806
180: ok 6807
180: ok 6808
180: ok 6809
180: ok 6810
180: ok 6811
180: ok 6812
180: ok 6813
180: ok 6814
180: ok 6815
180: ok 6816
180: ok 6817
180: ok 6818
180: ok 6819
180: ok 6820
180: ok 6821
180: ok 6822
180: ok 6823
180: ok 6824
180: ok 6825
180: ok 6826
180: ok 6827
180: ok 6828
180: ok 6829
180: ok 6830
180: ok 6831
180: ok 6832
180: ok 6833
180: ok 6834
180: ok 6835
180: ok 6836
180: ok 6837
180: ok 6838
180: ok 6839
180: ok 6840
180: ok 6841
180: ok 6842
180: ok 6843
180: ok 6844
180: ok 6845
180: ok 6846
180: ok 6847
180: ok 6848
180: ok 6849
180: ok 6850
180: ok 6851
180: ok 6852
180: ok 6853
180: ok 6854
180: ok 6855
180: ok 6856
180: ok 6857
180: ok 6858
180: ok 6859
180: ok 6860
180: ok 6861
180: ok 6862
180: ok 6863
180: ok 6864
180: ok 6865
180: ok 6866
180: ok 6867
180: ok 6868
180: ok 6869
180: ok 6870
180: ok 6871
180: ok 6872
180: ok 6873
180: ok 6874
180: ok 6875
180: ok 6876
180: ok 6877
180: ok 6878
180: ok 6879
180: ok 6880
180: ok 6881
180: ok 6882
180: ok 6883
180: ok 6884
180: ok 6885
180: ok 6886
180: ok 6887
180: ok 6888
180: ok 6889
180: ok 6890
180: ok 6891
180: ok 6892
180: ok 6893
180: ok 6894
180: ok 6895
180: ok 6896
180: ok 6897
180: ok 6898
180: ok 6899
180: ok 6900
180: ok 6901
180: ok 6902
180: ok 6903
180: ok 6904
180: ok 6905
180: ok 6906
180: ok 6907
180: ok 6908
180: ok 6909
180: ok 6910
180: ok 6911
180: ok 6912
180: ok 6913
180: ok 6914
180: ok 6915
180: ok 6916
180: ok 6917
180: ok 6918
180: ok 6919
180: ok 6920
180: ok 6921
180: ok 6922
180: ok 6923
180: ok 6924
180: ok 6925
180: ok 6926
180: ok 6927
180: ok 6928
180: ok 6929
180: ok 6930
180: ok 6931
180: ok 6932
180: ok 6933
180: ok 6934
180: ok 6935
180: ok 6936
180: ok 6937
180: ok 6938
180: ok 6939
180: ok 6940
180: ok 6941
180: ok 6942
180: ok 6943
180: ok 6944
180: ok 6945
180: ok 6946
180: ok 6947
180: ok 6948
180: ok 6949
180: ok 6950
180: ok 6951
180: ok 6952
180: ok 6953
180: ok 6954
180: ok 6955
180: ok 6956
180: ok 6957
180: ok 6958
180: ok 6959
180: ok 6960
180: ok 6961
180: ok 6962
180: ok 6963
180: ok 6964
180: ok 6965
180: ok 6966
180: ok 6967
180: ok 6968
180: ok 6969
180: ok 6970
180: ok 6971
180: ok 6972
180: ok 6973
180: ok 6974
180: ok 6975
180: ok 6976
180: ok 6977
180: ok 6978
180: ok 6979
180: ok 6980
180: ok 6981
180: ok 6982
180: ok 6983
180: ok 6984
180: ok 6985
180: ok 6986
180: ok 6987
180: ok 6988
180: ok 6989
180: ok 6990
180: ok 6991
180: ok 6992
180: ok 6993
180: ok 6994
180: ok 6995
180: ok 6996
180: ok 6997
180: ok 6998
180: ok 6999
180: ok 7000
180: ok 7001
180: ok 7002
180: ok 7003
180: ok 7004
180: ok 7005
180: ok 7006
180: ok 7007
180: ok 7008
180: ok 7009
180: ok 7010
180: ok 7011
180: ok 7012
180: ok 7013
180: ok 7014
180: ok 7015
180: ok 7016
180: ok 7017
180: ok 7018
180: ok 7019
180: ok 7020
180: ok 7021
180: ok 7022
180: ok 7023
180: ok 7024
180: ok 7025
180: ok 7026
180: ok 7027
180: ok 7028
180: ok 7029
180: ok 7030
180: ok 7031
180: ok 7032
180: ok 7033
180: ok 7034
180: ok 7035
180: ok 7036
180: ok 7037
180: ok 7038
180: ok 7039
180: ok 7040
180: ok 7041
180: ok 7042
180: ok 7043
180: ok 7044
180: ok 7045
180: ok 7046
180: ok 7047
180: ok 7048
180: ok 7049
180: ok 7050
180: ok 7051
180: ok 7052
180: ok 7053
180: ok 7054
180: ok 7055
180: ok 7056
180: ok 7057
180: ok 7058
180: ok 7059
180: ok 7060
180: ok 7061
180: ok 7062
180: ok 7063
180: ok 7064
180: ok 7065
180: ok 7066
180: ok 7067
180: ok 7068
180: ok 7069
180: ok 7070
180: ok 7071
180: ok 7072
180: ok 7073
180: ok 7074
180: ok 7075
180: ok 7076
180: ok 7077
180: ok 7078
180: ok 7079
180: ok 7080
180: ok 7081
180: ok 7082
180: ok 7083
180: ok 7084
180: ok 7085
180: ok 7086
180: ok 7087
180: ok 7088
180: ok 7089
180: ok 7090
180: ok 7091
180: ok 7092
180: ok 7093
180: ok 7094
180: ok 7095
180: ok 7096
180: ok 7097
180: ok 7098
180: ok 7099
180: ok 7100
180: ok 7101
180: ok 7102
180: ok 7103
180: ok 7104
180: ok 7105
180: ok 7106
180: ok 7107
180: ok 7108
180: ok 7109
180: ok 7110
180: ok 7111
180: ok 7112
180: ok 7113
180: ok 7114
180: ok 7115
180: ok 7116
180: ok 7117
180: ok 7118
180: ok 7119
180: ok 7120
180: ok 7121
180: ok 7122
180: ok 7123
180: ok 7124
180: ok 7125
180: ok 7126
180: ok 7127
180: ok 7128
180: ok 7129
180: ok 7130
180: ok 7131
180: ok 7132
180: ok 7133
180: ok 7134
180: ok 7135
180: ok 7136
180: ok 7137
180: ok 7138
180: ok 7139
180: ok 7140
180: ok 7141
180: ok 7142
180: ok 7143
180: ok 7144
180: ok 7145
180: ok 7146
180: ok 7147
180: ok 7148
180: ok 7149
180: ok 7150
180: ok 7151
180: ok 7152
180: ok 7153
180: ok 7154
180: ok 7155
180: ok 7156
180: ok 7157
180: ok 7158
180: ok 7159
180: ok 7160
180: ok 7161
180: ok 7162
180: ok 7163
180: ok 7164
180: ok 7165
180: ok 7166
180: ok 7167
180: ok 7168
180: ok 7169
180: ok 7170
180: ok 7171
180: ok 7172
180: ok 7173
180: ok 7174
180: ok 7175
180: ok 7176
180: ok 7177
180: ok 7178
180: ok 7179
180: ok 7180
180: ok 7181
180: ok 7182
180: ok 7183
180: ok 7184
180: ok 7185
180: ok 7186
180: ok 7187
180: ok 7188
180: ok 7189
180: ok 7190
180: ok 7191
180: ok 7192
180: ok 7193
180: ok 7194
180: ok 7195
180: ok 7196
180: ok 7197
180: ok 7198
180: ok 7199
180: ok 7200
180: ok 7201
180: ok 7202
180: ok 7203
180: ok 7204
180: ok 7205
180: ok 7206
180: ok 7207
180: ok 7208
180: ok 7209
180: ok 7210
180: ok 7211
180: ok 7212
180: ok 7213
180: ok 7214
180: ok 7215
180: ok 7216
180: ok 7217
180: ok 7218
180: ok 7219
180: ok 7220
180: ok 7221
180: ok 7222
180: ok 7223
180: ok 7224
180: ok 7225
180: ok 7226
180: ok 7227
180: ok 7228
180: ok 7229
180: ok 7230
180: ok 7231
180: ok 7232
180: ok 7233
180: ok 7234
180: ok 7235
180: ok 7236
180: ok 7237
180: ok 7238
180: ok 7239
180: ok 7240
180: ok 7241
180: ok 7242
180: ok 7243
180: ok 7244
180: ok 7245
180: ok 7246
180: ok 7247
180: ok 7248
180: ok 7249
180: ok 7250
180: ok 7251
180: ok 7252
180: ok 7253
180: ok 7254
180: ok 7255
180: ok 7256
180: ok 7257
180: ok 7258
180: ok 7259
180: ok 7260
180: ok 7261
180: ok 7262
180: ok 7263
180: ok 7264
180: ok 7265
180: ok 7266
180: ok 7267
180: ok 7268
180: ok 7269
180: ok 7270
180: ok 7271
180: ok 7272
180: ok 7273
180: ok 7274
180: ok 7275
180: ok 7276
180: ok 7277
180: ok 7278
180: ok 7279
180: ok 7280
180: ok 7281
180: ok 7282
180: ok 7283
180: ok 7284
180: ok 7285
180: ok 7286
180: ok 7287
180: ok 7288
180: ok 7289
180: ok 7290
180: ok 7291
180: ok 7292
180: ok 7293
180: ok 7294
180: ok 7295
180: ok 7296
180: ok 7297
180: ok 7298
180: ok 7299
180: ok 7300
180: ok 7301
180: ok 7302
180: ok 7303
180: ok 7304
180: ok 7305
180: ok 7306
180: ok 7307
180: ok 7308
180: ok 7309
180: ok 7310
180: ok 7311
180: ok 7312
180: ok 7313
180: ok 7314
180: ok 7315
180: ok 7316
180: ok 7317
180: ok 7318
180: ok 7319
180: ok 7320
180: ok 7321
180: ok 7322
180: ok 7323
180: ok 7324
180: ok 7325
180: ok 7326
180: ok 7327
180: ok 7328
180: ok 7329
180: ok 7330
180: ok 7331
180: ok 7332
180: ok 7333
180: ok 7334
180: ok 7335
180: ok 7336
180: ok 7337
180: ok 7338
180: ok 7339
180: ok 7340
180: ok 7341
180: ok 7342
180: ok 7343
180: ok 7344
180: ok 7345
180: ok 7346
180: ok 7347
180: ok 7348
180: ok 7349
180: ok 7350
180: ok 7351
180: ok 7352
180: ok 7353
180: ok 7354
180: ok 7355
180: ok 7356
180: ok 7357
180: ok 7358
180: ok 7359
180: ok 7360
180: ok 7361
180: ok 7362
180: ok 7363
180: ok 7364
180: ok 7365
180: ok 7366
180: ok 7367
180: ok 7368
180: ok 7369
180: ok 7370
180: ok 7371
180: ok 7372
180: ok 7373
180: ok 7374
180: ok 7375
180: ok 7376
180: ok 7377
180: ok 7378
180: ok 7379
180: ok 7380
180: ok 7381
180: ok 7382
180: ok 7383
180: ok 7384
180: ok 7385
180: ok 7386
180: ok 7387
180: ok 7388
180: ok 7389
180: ok 7390
180: ok 7391
180: ok 7392
180: ok 7393
180: ok 7394
180: ok 7395
180: ok 7396
180: ok 7397
180: ok 7398
180: ok 7399
180: ok 7400
180: ok 7401
180: ok 7402
180: ok 7403
180: ok 7404
180: ok 7405
180: ok 7406
180: ok 7407
180: ok 7408
180: ok 7409
180: ok 7410
180: ok 7411
180: ok 7412
180: ok 7413
180: ok 7414
180: ok 7415
180: ok 7416
180: ok 7417
180: ok 7418
180: ok 7419
180: ok 7420
180: ok 7421
180: ok 7422
180: ok 7423
180: ok 7424
180: ok 7425
180: ok 7426
180: ok 7427
180: ok 7428
180: ok 7429
180: ok 7430
180: ok 7431
180: ok 7432
180: ok 7433
180: ok 7434
180: ok 7435
180: ok 7436
180: ok 7437
180: ok 7438
180: ok 7439
180: ok 7440
180: ok 7441
180: ok 7442
180: ok 7443
180: ok 7444
180: ok 7445
180: ok 7446
180: ok 7447
180: ok 7448
180: ok 7449
180: ok 7450
180: ok 7451
180: ok 7452
180: ok 7453
180: ok 7454
180: ok 7455
180: ok 7456
180: ok 7457
180: ok 7458
180: ok 7459
180: ok 7460
180: ok 7461
180: ok 7462
180: ok 7463
180: ok 7464
180: ok 7465
180: ok 7466
180: ok 7467
180: ok 7468
180: ok 7469
180: ok 7470
180: ok 7471
180: ok 7472
180: ok 7473
180: ok 7474
180: ok 7475
180: ok 7476
180: ok 7477
180: ok 7478
180: ok 7479
180: ok 7480
180: ok 7481
180: ok 7482
180: ok 7483
180: ok 7484
180: ok 7485
180: ok 7486
180: ok 7487
180: ok 7488
180: ok 7489
180: ok 7490
180: ok 7491
180: ok 7492
180: ok 7493
180: ok 7494
180: ok 7495
180: ok 7496
180: ok 7497
180: ok 7498
180: ok 7499
180: ok 7500
180: ok 7501
180: ok 7502
180: ok 7503
180: ok 7504
180: ok 7505
180: ok 7506
180: ok 7507
180: ok 7508
180: ok 7509
180: ok 7510
180: ok 7511
180: ok 7512
180: ok 7513
180: ok 7514
180: ok 7515
180: ok 7516
180: ok 7517
180: ok 7518
180: ok 7519
180: ok 7520
180: ok 7521
180: ok 7522
180: ok 7523
180: ok 7524
180: ok 7525
180: ok 7526
180: ok 7527
180: ok 7528
180: ok 7529
180: ok 7530
180: ok 7531
180: ok 7532
180: ok 7533
180: ok 7534
180: ok 7535
180: ok 7536
180: ok 7537
180: ok 7538
180: ok 7539
180: ok 7540
180: ok 7541
180: ok 7542
180: ok 7543
180: ok 7544
180: ok 7545
180: ok 7546
180: ok 7547
180: ok 7548
180: ok 7549
180: ok 7550
180: ok 7551
180: ok 7552
180: ok 7553
180: ok 7554
180: ok 7555
180: ok 7556
180: ok 7557
180: ok 7558
180: ok 7559
180: ok 7560
180: ok 7561
180: ok 7562
180: ok 7563
180: ok 7564
180: ok 7565
180: ok 7566
180: ok 7567
180: ok 7568
180: ok 7569
180: ok 7570
180: ok 7571
180: ok 7572
180: ok 7573
180: ok 7574
180: ok 7575
180: ok 7576
180: ok 7577
180: ok 7578
180: ok 7579
180: ok 7580
180: ok 7581
180: ok 7582
180: ok 7583
180: ok 7584
180: ok 7585
180: ok 7586
180: ok 7587
180: ok 7588
180: ok 7589
180: ok 7590
180: ok 7591
180: ok 7592
180: ok 7593
180: ok 7594
180: ok 7595
180: ok 7596
180: ok 7597
180: ok 7598
180: ok 7599
180: ok 7600
180: ok 7601
180: ok 7602
180: ok 7603
180: ok 7604
180: ok 7605
180: ok 7606
180: ok 7607
180: ok 7608
180: ok 7609
180: ok 7610
180: ok 7611
180: ok 7612
180: ok 7613
180: ok 7614
180: ok 7615
180: ok 7616
180: ok 7617
180: ok 7618
180: ok 7619
180: ok 7620
180: ok 7621
180: ok 7622
180: ok 7623
180: ok 7624
180: ok 7625
180: ok 7626
180: ok 7627
180: ok 7628
180: ok 7629
180: ok 7630
180: ok 7631
180: ok 7632
180: ok 7633
180: ok 7634
180: ok 7635
180: ok 7636
180: ok 7637
180: ok 7638
180: ok 7639
180: ok 7640
180: ok 7641
180: ok 7642
180: ok 7643
180: ok 7644
180: ok 7645
180: ok 7646
180: ok 7647
180: ok 7648
180: ok 7649
180: ok 7650
180: ok 7651
180: ok 7652
180: ok 7653
180: ok 7654
180: ok 7655
180: ok 7656
180: ok 7657
180: ok 7658
180: ok 7659
180: ok 7660
180: ok 7661
180: ok 7662
180: ok 7663
180: ok 7664
180: ok 7665
180: ok 7666
180: ok 7667
180: ok 7668
180: ok 7669
180: ok 7670
180: ok 7671
180: ok 7672
180: ok 7673
180: ok 7674
180: ok 7675
180: ok 7676
180: ok 7677
180: ok 7678
180: ok 7679
180: ok 7680
180: ok 7681
180: ok 7682
180: ok 7683
180: ok 7684
180: ok 7685
180: ok 7686
180: ok 7687
180: ok 7688
180: ok 7689
180: ok 7690
180: ok 7691
180: ok 7692
180: ok 7693
180: ok 7694
180: ok 7695
180: ok 7696
180: ok 7697
180: ok 7698
180: ok 7699
180: ok 7700
180: ok 7701
180: ok 7702
180: ok 7703
180: ok 7704
180: ok 7705
180: ok 7706
180: ok 7707
180: ok 7708
180: ok 7709
180: ok 7710
180: ok 7711
180: ok 7712
180: ok 7713
180: ok 7714
180: ok 7715
180: ok 7716
180: ok 7717
180: ok 7718
180: ok 7719
180: ok 7720
180: ok 7721
180: ok 7722
180: ok 7723
180: ok 7724
180: ok 7725
180: ok 7726
180: ok 7727
180: ok 7728
180: ok 7729
180: ok 7730
180: ok 7731
180: ok 7732
180: ok 7733
180: ok 7734
180: ok 7735
180: ok 7736
180: ok 7737
180: ok 7738
180: ok 7739
180: ok 7740
180: ok 7741
180: ok 7742
180: ok 7743
180: ok 7744
180: ok 7745
180: ok 7746
180: ok 7747
180: ok 7748
180: ok 7749
180: ok 7750
180: ok 7751
180: ok 7752
180: ok 7753
180: ok 7754
180: ok 7755
180: ok 7756
180: ok 7757
180: ok 7758
180: ok 7759
180: ok 7760
180: ok 7761
180: ok 7762
180: ok 7763
180: ok 7764
180: ok 7765
180: ok 7766
180: ok 7767
180: ok 7768
180: ok 7769
180: ok 7770
180: ok 7771
180: ok 7772
180: ok 7773
180: ok 7774
180: ok 7775
180: ok 7776
180: ok 7777
180: ok 7778
180: ok 7779
180: ok 7780
180: ok 7781
180: ok 7782
180: ok 7783
180: ok 7784
180: ok 7785
180: ok 7786
180: ok 7787
180: ok 7788
180: ok 7789
180: ok 7790
180: ok 7791
180: ok 7792
180: ok 7793
180: ok 7794
180: ok 7795
180: ok 7796
180: ok 7797
180: ok 7798
180: ok 7799
180: ok 7800
180: ok 7801
180: ok 7802
180: ok 7803
180: ok 7804
180: ok 7805
180: ok 7806
180: ok 7807
180: ok 7808
180: ok 7809
180: ok 7810
180: ok 7811
180: ok 7812
180: ok 7813
180: ok 7814
180: ok 7815
180: ok 7816
180: ok 7817
180: ok 7818
181: # math: repeating each test 1000 times
181: # Testing MMFF94 Force Field...
181: # math: entering testInversion
181: ok 1
181: ok 2
181: ok 3
181: ok 4
181: ok 5
181: ok 6
181: ok 7
181: ok 8
181: ok 9
181: ok 10
181: ok 11
181: ok 12
181: ok 13
181: ok 14
181: ok 15
181: ok 16
181: ok 17
181: ok 18
181: ok 19
181: ok 20
181: ok 21
181: ok 22
181: ok 23
181: ok 24
181: ok 25
181: ok 26
181: ok 27
181: ok 28
181: ok 29
181: ok 30
181: ok 31
181: ok 32
181: ok 33
181: ok 34
181: ok 35
181: ok 36
181: ok 37
181: ok 38
181: ok 39
181: ok 40
181: ok 41
181: ok 42
181: ok 43
181: ok 44
181: ok 45
181: ok 46
181: ok 47
181: ok 48
181: ok 49
181: ok 50
181: ok 51
181: ok 52
181: ok 53
181: ok 54
181: ok 55
181: ok 56
181: ok 57
181: ok 58
181: ok 59
181: ok 60
181: ok 61
181: ok 62
181: ok 63
181: ok 64
181: ok 65
181: ok 66
181: ok 67
181: ok 68
181: ok 69
181: ok 70
181: ok 71
181: ok 72
181: ok 73
181: ok 74
181: ok 75
181: ok 76
181: ok 77
181: ok 78
181: ok 79
181: ok 80
181: ok 81
181: ok 82
181: ok 83
181: ok 84
181: ok 85
181: ok 86
181: ok 87
181: ok 88
181: ok 89
181: ok 90
181: ok 91
181: ok 92
181: ok 93
181: ok 94
181: ok 95
181: ok 96
181: ok 97
181: ok 98
181: ok 99
181: ok 100
181: ok 101
181: ok 102
181: ok 103
181: ok 104
181: ok 105
181: ok 106
181: ok 107
181: ok 108
181: ok 109
181: ok 110
181: ok 111
181: ok 112
181: ok 113
181: ok 114
181: ok 115
181: ok 116
181: ok 117
181: ok 118
181: ok 119
181: ok 120
181: ok 121
181: ok 122
181: ok 123
181: ok 124
181: ok 125
181: ok 126
181: ok 127
181: ok 128
181: ok 129
181: ok 130
181: ok 131
181: ok 132
181: ok 133
181: ok 134
181: ok 135
181: ok 136
181: ok 137
181: ok 138
181: ok 139
181: ok 140
181: ok 141
181: ok 142
181: ok 143
181: ok 144
181: ok 145
181: ok 146
181: ok 147
181: ok 148
181: ok 149
181: ok 150
181: ok 151
181: ok 152
181: ok 153
181: ok 154
181: ok 155
181: ok 156
181: ok 157
181: ok 158
181: ok 159
181: ok 160
181: ok 161
181: ok 162
181: ok 163
181: ok 164
181: ok 165
181: ok 166
181: ok 167
181: ok 168
181: ok 169
181: ok 170
181: ok 171
181: ok 172
181: ok 173
181: ok 174
181: ok 175
181: ok 176
181: ok 177
181: ok 178
181: ok 179
181: ok 180
181: ok 181
181: ok 182
181: ok 183
181: ok 184
181: ok 185
181: ok 186
181: ok 187
181: ok 188
181: ok 189
181: ok 190
181: ok 191
181: ok 192
181: ok 193
181: ok 194
181: ok 195
181: ok 196
181: ok 197
181: ok 198
181: ok 199
181: ok 200
181: ok 201
181: ok 202
181: ok 203
181: ok 204
181: ok 205
181: ok 206
181: ok 207
181: ok 208
181: ok 209
181: ok 210
181: ok 211
181: ok 212
181: ok 213
181: ok 214
181: ok 215
181: ok 216
181: ok 217
181: ok 218
181: ok 219
181: ok 220
181: ok 221
181: ok 222
181: ok 223
181: ok 224
181: ok 225
181: ok 226
181: ok 227
181: ok 228
181: ok 229
181: ok 230
181: ok 231
181: ok 232
181: ok 233
181: ok 234
181: ok 235
181: ok 236
181: ok 237
181: ok 238
181: ok 239
181: ok 240
181: ok 241
181: ok 242
181: ok 243
181: ok 244
181: ok 245
181: ok 246
181: ok 247
181: ok 248
181: ok 249
181: ok 250
181: ok 251
181: ok 252
181: ok 253
181: ok 254
181: ok 255
181: ok 256
181: ok 257
181: ok 258
181: ok 259
181: ok 260
181: ok 261
181: ok 262
181: ok 263
181: ok 264
181: ok 265
181: ok 266
181: ok 267
181: ok 268
181: ok 269
181: ok 270
181: ok 271
181: ok 272
181: ok 273
181: ok 274
181: ok 275
181: ok 276
181: ok 277
181: ok 278
181: ok 279
181: ok 280
181: ok 281
181: ok 282
181: ok 283
181: ok 284
181: ok 285
181: ok 286
181: ok 287
181: ok 288
181: ok 289
181: ok 290
181: ok 291
181: ok 292
181: ok 293
181: ok 294
181: ok 295
181: ok 296
181: ok 297
181: ok 298
181: ok 299
181: ok 300
181: ok 301
181: ok 302
181: ok 303
181: ok 304
181: ok 305
181: ok 306
181: ok 307
181: ok 308
181: ok 309
181: ok 310
181: ok 311
181: ok 312
181: ok 313
181: ok 314
181: ok 315
181: ok 316
181: ok 317
181: ok 318
181: ok 319
181: ok 320
181: ok 321
181: ok 322
181: ok 323
181: ok 324
181: ok 325
181: ok 326
181: ok 327
181: ok 328
181: ok 329
181: ok 330
181: ok 331
181: ok 332
181: ok 333
181: ok 334
181: ok 335
181: ok 336
181: ok 337
181: ok 338
181: ok 339
181: ok 340
181: ok 341
181: ok 342
181: ok 343
181: ok 344
181: ok 345
181: ok 346
181: ok 347
181: ok 348
181: ok 349
181: ok 350
181: ok 351
181: ok 352
181: ok 353
181: ok 354
181: ok 355
181: ok 356
181: ok 357
181: ok 358
181: ok 359
181: ok 360
181: ok 361
181: ok 362
181: ok 363
181: ok 364
181: ok 365
181: ok 366
181: ok 367
181: ok 368
181: ok 369
181: ok 370
181: ok 371
181: ok 372
181: ok 373
181: ok 374
181: ok 375
181: ok 376
181: ok 377
181: ok 378
181: ok 379
181: ok 380
181: ok 381
181: ok 382
181: ok 383
181: ok 384
181: ok 385
181: ok 386
181: ok 387
181: ok 388
181: ok 389
181: ok 390
181: ok 391
181: ok 392
181: ok 393
181: ok 394
181: ok 395
181: ok 396
181: ok 397
181: ok 398
181: ok 399
181: ok 400
181: ok 401
181: ok 402
181: ok 403
181: ok 404
181: ok 405
181: ok 406
181: ok 407
181: ok 408
181: ok 409
181: ok 410
181: ok 411
181: ok 412
181: ok 413
181: ok 414
181: ok 415
181: ok 416
181: ok 417
181: ok 418
181: ok 419
181: ok 420
181: ok 421
181: ok 422
181: ok 423
181: ok 424
181: ok 425
181: ok 426
181: ok 427
181: ok 428
181: ok 429
181: ok 430
181: ok 431
181: ok 432
181: ok 433
181: ok 434
181: ok 435
181: ok 436
181: ok 437
181: ok 438
181: ok 439
181: ok 440
181: ok 441
181: ok 442
181: ok 443
181: ok 444
181: ok 445
181: ok 446
181: ok 447
181: ok 448
181: ok 449
181: ok 450
181: ok 451
181: ok 452
181: ok 453
181: ok 454
181: ok 455
181: ok 456
181: ok 457
181: ok 458
181: ok 459
181: ok 460
181: ok 461
181: ok 462
181: ok 463
181: ok 464
181: ok 465
181: ok 466
181: ok 467
181: ok 468
181: ok 469
181: ok 470
181: ok 471
181: ok 472
181: ok 473
181: ok 474
181: ok 475
181: ok 476
181: ok 477
181: ok 478
181: ok 479
181: ok 480
181: ok 481
181: ok 482
181: ok 483
181: ok 484
181: ok 485
181: ok 486
181: ok 487
181: ok 488
181: ok 489
181: ok 490
181: ok 491
181: ok 492
181: ok 493
181: ok 494
181: ok 495
181: ok 496
181: ok 497
181: ok 498
181: ok 499
181: ok 500
181: ok 501
181: ok 502
181: ok 503
181: ok 504
181: ok 505
181: ok 506
181: ok 507
181: ok 508
181: ok 509
181: ok 510
181: ok 511
181: ok 512
181: ok 513
181: ok 514
181: ok 515
181: ok 516
181: ok 517
181: ok 518
181: ok 519
181: ok 520
181: ok 521
181: ok 522
181: ok 523
181: ok 524
181: ok 525
181: ok 526
181: ok 527
181: ok 528
181: ok 529
181: ok 530
181: ok 531
181: ok 532
181: ok 533
181: ok 534
181: ok 535
181: ok 536
181: ok 537
181: ok 538
181: ok 539
181: ok 540
181: ok 541
181: ok 542
181: ok 543
181: ok 544
181: ok 545
181: ok 546
181: ok 547
181: ok 548
181: ok 549
181: ok 550
181: ok 551
181: ok 552
181: ok 553
181: ok 554
181: ok 555
181: ok 556
181: ok 557
181: ok 558
181: ok 559
181: ok 560
181: ok 561
181: ok 562
181: ok 563
181: ok 564
181: ok 565
181: ok 566
181: ok 567
181: ok 568
181: ok 569
181: ok 570
181: ok 571
181: ok 572
181: ok 573
181: ok 574
181: ok 575
181: ok 576
181: ok 577
181: ok 578
181: ok 579
181: ok 580
181: ok 581
181: ok 582
181: ok 583
181: ok 584
181: ok 585
181: ok 586
181: ok 587
181: ok 588
181: ok 589
181: ok 590
181: ok 591
181: ok 592
181: ok 593
181: ok 594
181: ok 595
181: ok 596
181: ok 597
181: ok 598
181: ok 599
181: ok 600
181: ok 601
181: ok 602
181: ok 603
181: ok 604
181: ok 605
181: ok 606
181: ok 607
181: ok 608
181: ok 609
181: ok 610
181: ok 611
181: ok 612
181: ok 613
181: ok 614
181: ok 615
181: ok 616
181: ok 617
181: ok 618
181: ok 619
181: ok 620
181: ok 621
181: ok 622
181: ok 623
181: ok 624
181: ok 625
181: ok 626
181: ok 627
181: ok 628
181: ok 629
181: ok 630
181: ok 631
181: ok 632
181: ok 633
181: ok 634
181: ok 635
181: ok 636
181: ok 637
181: ok 638
181: ok 639
181: ok 640
181: ok 641
181: ok 642
181: ok 643
181: ok 644
181: ok 645
181: ok 646
181: ok 647
181: ok 648
181: ok 649
181: ok 650
181: ok 651
181: ok 652
181: ok 653
181: ok 654
181: ok 655
181: ok 656
181: ok 657
181: ok 658
181: ok 659
181: ok 660
181: ok 661
181: ok 662
181: ok 663
181: ok 664
181: ok 665
181: ok 666
181: ok 667
181: ok 668
181: ok 669
181: ok 670
181: ok 671
181: ok 672
181: ok 673
181: ok 674
181: ok 675
181: ok 676
181: ok 677
181: ok 678
181: ok 679
181: ok 680
181: ok 681
181: ok 682
181: ok 683
181: ok 684
181: ok 685
181: ok 686
181: ok 687
181: ok 688
181: ok 689
181: ok 690
181: ok 691
181: ok 692
181: ok 693
181: ok 694
181: ok 695
181: ok 696
181: ok 697
181: ok 698
181: ok 699
181: ok 700
181: ok 701
181: ok 702
181: ok 703
181: ok 704
181: ok 705
181: ok 706
181: ok 707
181: ok 708
181: ok 709
181: ok 710
181: ok 711
181: ok 712
181: ok 713
181: ok 714
181: ok 715
181: ok 716
181: ok 717
181: ok 718
181: ok 719
181: ok 720
181: ok 721
181: ok 722
181: ok 723
181: ok 724
181: ok 725
181: ok 726
181: ok 727
181: ok 728
181: ok 729
181: ok 730
181: ok 731
181: ok 732
181: ok 733
181: ok 734
181: ok 735
181: ok 736
181: ok 737
181: ok 738
181: ok 739
181: ok 740
181: ok 741
181: ok 742
181: ok 743
181: ok 744
181: ok 745
181: ok 746
181: ok 747
181: ok 748
181: ok 749
181: ok 750
181: ok 751
181: ok 752
181: ok 753
181: ok 754
181: ok 755
181: ok 756
181: ok 757
181: ok 758
181: ok 759
181: ok 760
181: ok 761
181: ok 762
181: ok 763
181: ok 764
181: ok 765
181: ok 766
181: ok 767
181: ok 768
181: ok 769
181: ok 770
181: ok 771
181: ok 772
181: ok 773
181: ok 774
181: ok 775
181: ok 776
181: ok 777
181: ok 778
181: ok 779
181: ok 780
181: ok 781
181: ok 782
181: ok 783
181: ok 784
181: ok 785
181: ok 786
181: ok 787
181: ok 788
181: ok 789
181: ok 790
181: ok 791
181: ok 792
181: ok 793
181: ok 794
181: ok 795
181: ok 796
181: ok 797
181: ok 798
181: ok 799
181: ok 800
181: ok 801
181: ok 802
181: ok 803
181: ok 804
181: ok 805
181: ok 806
181: ok 807
181: ok 808
181: ok 809
181: ok 810
181: ok 811
181: ok 812
181: ok 813
181: ok 814
181: ok 815
181: ok 816
181: ok 817
181: ok 818
181: ok 819
181: ok 820
181: ok 821
181: ok 822
181: ok 823
181: ok 824
181: ok 825
181: ok 826
181: ok 827
181: ok 828
181: ok 829
181: ok 830
181: ok 831
181: ok 832
181: ok 833
181: ok 834
181: ok 835
181: ok 836
181: ok 837
181: ok 838
181: ok 839
181: ok 840
181: ok 841
181: ok 842
181: ok 843
181: ok 844
181: ok 845
181: ok 846
181: ok 847
181: ok 848
181: ok 849
181: ok 850
181: ok 851
181: ok 852
181: ok 853
181: ok 854
181: ok 855
181: ok 856
181: ok 857
181: ok 858
181: ok 859
181: ok 860
181: ok 861
181: ok 862
181: ok 863
181: ok 864
181: ok 865
181: ok 866
181: ok 867
181: ok 868
181: ok 869
181: ok 870
181: ok 871
181: ok 872
181: ok 873
181: ok 874
181: ok 875
181: ok 876
181: ok 877
181: ok 878
181: ok 879
181: ok 880
181: ok 881
181: ok 882
181: ok 883
181: ok 884
181: ok 885
181: ok 886
181: ok 887
181: ok 888
181: ok 889
181: ok 890
181: ok 891
181: ok 892
181: ok 893
181: ok 894
181: ok 895
181: ok 896
181: ok 897
181: ok 898
181: ok 899
181: ok 900
181: ok 901
181: ok 902
181: ok 903
181: ok 904
181: ok 905
181: ok 906
181: ok 907
181: ok 908
181: ok 909
181: ok 910
181: ok 911
181: ok 912
181: ok 913
181: ok 914
181: ok 915
181: ok 916
181: ok 917
181: ok 918
181: ok 919
181: ok 920
181: ok 921
181: ok 922
181: ok 923
181: ok 924
181: ok 925
181: ok 926
181: ok 927
181: ok 928
181: ok 929
181: ok 930
181: ok 931
181: ok 932
181: ok 933
181: ok 934
181: ok 935
181: ok 936
181: ok 937
181: ok 938
181: ok 939
181: ok 940
181: ok 941
181: ok 942
181: ok 943
181: ok 944
181: ok 945
181: ok 946
181: ok 947
181: ok 948
181: ok 949
181: ok 950
181: ok 951
181: ok 952
181: ok 953
181: ok 954
181: ok 955
181: ok 956
181: ok 957
181: ok 958
181: ok 959
181: ok 960
181: ok 961
181: ok 962
181: ok 963
181: ok 964
181: ok 965
181: ok 966
181: ok 967
181: ok 968
181: ok 969
181: ok 970
181: ok 971
181: ok 972
181: ok 973
181: ok 974
181: ok 975
181: ok 976
181: ok 977
181: ok 978
181: ok 979
181: ok 980
181: ok 981
181: ok 982
181: ok 983
181: ok 984
181: ok 985
181: ok 986
181: ok 987
181: ok 988
181: ok 989
181: ok 990
181: ok 991
181: ok 992
181: ok 993
181: ok 994
181: ok 995
181: ok 996
181: ok 997
181: ok 998
181: ok 999
181: ok 1000
181: # math: passed testInversion
181: 1..1000
181: # math: all tests are successful
182: # math: repeating each test 1000 times
182: # Testing MMFF94 Force Field...
182: # math: entering testEigenvalues
182: ok 1
182: ok 2
182: ok 3
182: ok 4
182: ok 5
182: ok 6
182: ok 7
182: ok 8
182: ok 9
182: ok 10
182: ok 11
182: ok 12
182: ok 13
182: ok 14
182: ok 15
182: ok 16
182: ok 17
182: ok 18
182: ok 19
182: ok 20
182: ok 21
182: ok 22
182: ok 23
182: ok 24
182: ok 25
182: ok 26
182: ok 27
182: ok 28
182: ok 29
182: ok 30
182: ok 31
182: ok 32
182: ok 33
182: ok 34
182: ok 35
182: ok 36
182: ok 37
182: ok 38
182: ok 39
182: ok 40
182: ok 41
182: ok 42
182: ok 43
182: ok 44
182: ok 45
182: ok 46
182: ok 47
182: ok 48
182: ok 49
182: ok 50
182: ok 51
182: ok 52
182: ok 53
182: ok 54
182: ok 55
182: ok 56
182: ok 57
182: ok 58
182: ok 59
182: ok 60
182: ok 61
182: ok 62
182: ok 63
182: ok 64
182: ok 65
182: ok 66
182: ok 67
182: ok 68
182: ok 69
182: ok 70
182: ok 71
182: ok 72
182: ok 73
182: ok 74
182: ok 75
182: ok 76
182: ok 77
182: ok 78
182: ok 79
182: ok 80
182: ok 81
182: ok 82
182: ok 83
182: ok 84
182: ok 85
182: ok 86
182: ok 87
182: ok 88
182: ok 89
182: ok 90
182: ok 91
182: ok 92
182: ok 93
182: ok 94
182: ok 95
182: ok 96
182: ok 97
182: ok 98
182: ok 99
182: ok 100
182: ok 101
182: ok 102
182: ok 103
182: ok 104
182: ok 105
182: ok 106
182: ok 107
182: ok 108
182: ok 109
182: ok 110
182: ok 111
182: ok 112
182: ok 113
182: ok 114
182: ok 115
182: ok 116
182: ok 117
182: ok 118
182: ok 119
182: ok 120
182: ok 121
182: ok 122
182: ok 123
182: ok 124
182: ok 125
182: ok 126
182: ok 127
182: ok 128
182: ok 129
182: ok 130
182: ok 131
182: ok 132
182: ok 133
182: ok 134
182: ok 135
182: ok 136
182: ok 137
182: ok 138
182: ok 139
182: ok 140
182: ok 141
182: ok 142
182: ok 143
182: ok 144
182: ok 145
182: ok 146
182: ok 147
182: ok 148
182: ok 149
182: ok 150
182: ok 151
182: ok 152
182: ok 153
182: ok 154
182: ok 155
182: ok 156
182: ok 157
182: ok 158
182: ok 159
182: ok 160
182: ok 161
182: ok 162
182: ok 163
182: ok 164
182: ok 165
182: ok 166
182: ok 167
182: ok 168
182: ok 169
182: ok 170
182: ok 171
182: ok 172
182: ok 173
182: ok 174
182: ok 175
182: ok 176
182: ok 177
182: ok 178
182: ok 179
182: ok 180
182: ok 181
182: ok 182
182: ok 183
182: ok 184
182: ok 185
182: ok 186
182: ok 187
182: ok 188
182: ok 189
182: ok 190
182: ok 191
182: ok 192
182: ok 193
182: ok 194
182: ok 195
182: ok 196
182: ok 197
182: ok 198
182: ok 199
182: ok 200
182: ok 201
182: ok 202
182: ok 203
182: ok 204
182: ok 205
182: ok 206
182: ok 207
182: ok 208
182: ok 209
182: ok 210
182: ok 211
182: ok 212
182: ok 213
182: ok 214
182: ok 215
182: ok 216
182: ok 217
182: ok 218
182: ok 219
182: ok 220
182: ok 221
182: ok 222
182: ok 223
182: ok 224
182: ok 225
182: ok 226
182: ok 227
182: ok 228
182: ok 229
182: ok 230
182: ok 231
182: ok 232
182: ok 233
182: ok 234
182: ok 235
182: ok 236
182: ok 237
182: ok 238
182: ok 239
182: ok 240
182: ok 241
182: ok 242
182: ok 243
182: ok 244
182: ok 245
182: ok 246
182: ok 247
182: ok 248
182: ok 249
182: ok 250
182: ok 251
182: ok 252
182: ok 253
182: ok 254
182: ok 255
182: ok 256
182: ok 257
182: ok 258
182: ok 259
182: ok 260
182: ok 261
182: ok 262
182: ok 263
182: ok 264
182: ok 265
182: ok 266
182: ok 267
182: ok 268
182: ok 269
182: ok 270
182: ok 271
182: ok 272
182: ok 273
182: ok 274
182: ok 275
182: ok 276
182: ok 277
182: ok 278
182: ok 279
182: ok 280
182: ok 281
182: ok 282
182: ok 283
182: ok 284
182: ok 285
182: ok 286
182: ok 287
182: ok 288
182: ok 289
182: ok 290
182: ok 291
182: ok 292
182: ok 293
182: ok 294
182: ok 295
182: ok 296
182: ok 297
182: ok 298
182: ok 299
182: ok 300
182: ok 301
182: ok 302
182: ok 303
182: ok 304
182: ok 305
182: ok 306
182: ok 307
182: ok 308
182: ok 309
182: ok 310
182: ok 311
182: ok 312
182: ok 313
182: ok 314
182: ok 315
182: ok 316
182: ok 317
182: ok 318
182: ok 319
182: ok 320
182: ok 321
182: ok 322
182: ok 323
182: ok 324
182: ok 325
182: ok 326
182: ok 327
182: ok 328
182: ok 329
182: ok 330
182: ok 331
182: ok 332
182: ok 333
182: ok 334
182: ok 335
182: ok 336
182: ok 337
182: ok 338
182: ok 339
182: ok 340
182: ok 341
182: ok 342
182: ok 343
182: ok 344
182: ok 345
182: ok 346
182: ok 347
182: ok 348
182: ok 349
182: ok 350
182: ok 351
182: ok 352
182: ok 353
182: ok 354
182: ok 355
182: ok 356
182: ok 357
182: ok 358
182: ok 359
182: ok 360
182: ok 361
182: ok 362
182: ok 363
182: ok 364
182: ok 365
182: ok 366
182: ok 367
182: ok 368
182: ok 369
182: ok 370
182: ok 371
182: ok 372
182: ok 373
182: ok 374
182: ok 375
182: ok 376
182: ok 377
182: ok 378
182: ok 379
182: ok 380
182: ok 381
182: ok 382
182: ok 383
182: ok 384
182: ok 385
182: ok 386
182: ok 387
182: ok 388
182: ok 389
182: ok 390
182: ok 391
182: ok 392
182: ok 393
182: ok 394
182: ok 395
182: ok 396
182: ok 397
182: ok 398
182: ok 399
182: ok 400
182: ok 401
182: ok 402
182: ok 403
182: ok 404
182: ok 405
182: ok 406
182: ok 407
182: ok 408
182: ok 409
182: ok 410
182: ok 411
182: ok 412
182: ok 413
182: ok 414
182: ok 415
182: ok 416
182: ok 417
182: ok 418
182: ok 419
182: ok 420
182: ok 421
182: ok 422
182: ok 423
182: ok 424
182: ok 425
182: ok 426
182: ok 427
182: ok 428
182: ok 429
182: ok 430
182: ok 431
182: ok 432
182: ok 433
182: ok 434
182: ok 435
182: ok 436
182: ok 437
182: ok 438
182: ok 439
182: ok 440
182: ok 441
182: ok 442
182: ok 443
182: ok 444
182: ok 445
182: ok 446
182: ok 447
182: ok 448
182: ok 449
182: ok 450
182: ok 451
182: ok 452
182: ok 453
182: ok 454
182: ok 455
182: ok 456
182: ok 457
182: ok 458
182: ok 459
182: ok 460
182: ok 461
182: ok 462
182: ok 463
182: ok 464
182: ok 465
182: ok 466
182: ok 467
182: ok 468
182: ok 469
182: ok 470
182: ok 471
182: ok 472
182: ok 473
182: ok 474
182: ok 475
182: ok 476
182: ok 477
182: ok 478
182: ok 479
182: ok 480
182: ok 481
182: ok 482
182: ok 483
182: ok 484
182: ok 485
182: ok 486
182: ok 487
182: ok 488
182: ok 489
182: ok 490
182: ok 491
182: ok 492
182: ok 493
182: ok 494
182: ok 495
182: ok 496
182: ok 497
182: ok 498
182: ok 499
182: ok 500
182: ok 501
182: ok 502
182: ok 503
182: ok 504
182: ok 505
182: ok 506
182: ok 507
182: ok 508
182: ok 509
182: ok 510
182: ok 511
182: ok 512
182: ok 513
182: ok 514
182: ok 515
182: ok 516
182: ok 517
182: ok 518
182: ok 519
182: ok 520
182: ok 521
182: ok 522
182: ok 523
182: ok 524
182: ok 525
182: ok 526
182: ok 527
182: ok 528
182: ok 529
182: ok 530
182: ok 531
182: ok 532
182: ok 533
182: ok 534
182: ok 535
182: ok 536
182: ok 537
182: ok 538
182: ok 539
182: ok 540
182: ok 541
182: ok 542
182: ok 543
182: ok 544
182: ok 545
182: ok 546
182: ok 547
182: ok 548
182: ok 549
182: ok 550
182: ok 551
182: ok 552
182: ok 553
182: ok 554
182: ok 555
182: ok 556
182: ok 557
182: ok 558
182: ok 559
182: ok 560
182: ok 561
182: ok 562
182: ok 563
182: ok 564
182: ok 565
182: ok 566
182: ok 567
182: ok 568
182: ok 569
182: ok 570
182: ok 571
182: ok 572
182: ok 573
182: ok 574
182: ok 575
182: ok 576
182: ok 577
182: ok 578
182: ok 579
182: ok 580
182: ok 581
182: ok 582
182: ok 583
182: ok 584
182: ok 585
182: ok 586
182: ok 587
182: ok 588
182: ok 589
182: ok 590
182: ok 591
182: ok 592
182: ok 593
182: ok 594
182: ok 595
182: ok 596
182: ok 597
182: ok 598
182: ok 599
182: ok 600
182: ok 601
182: ok 602
182: ok 603
182: ok 604
182: ok 605
182: ok 606
182: ok 607
182: ok 608
182: ok 609
182: ok 610
182: ok 611
182: ok 612
182: ok 613
182: ok 614
182: ok 615
182: ok 616
182: ok 617
182: ok 618
182: ok 619
182: ok 620
182: ok 621
182: ok 622
182: ok 623
182: ok 624
182: ok 625
182: ok 626
182: ok 627
182: ok 628
182: ok 629
182: ok 630
182: ok 631
182: ok 632
182: ok 633
182: ok 634
182: ok 635
182: ok 636
182: ok 637
182: ok 638
182: ok 639
182: ok 640
182: ok 641
182: ok 642
182: ok 643
182: ok 644
182: ok 645
182: ok 646
182: ok 647
182: ok 648
182: ok 649
182: ok 650
182: ok 651
182: ok 652
182: ok 653
182: ok 654
182: ok 655
182: ok 656
182: ok 657
182: ok 658
182: ok 659
182: ok 660
182: ok 661
182: ok 662
182: ok 663
182: ok 664
182: ok 665
182: ok 666
182: ok 667
182: ok 668
182: ok 669
182: ok 670
182: ok 671
182: ok 672
182: ok 673
182: ok 674
182: ok 675
182: ok 676
182: ok 677
182: ok 678
182: ok 679
182: ok 680
182: ok 681
182: ok 682
182: ok 683
182: ok 684
182: ok 685
182: ok 686
182: ok 687
182: ok 688
182: ok 689
182: ok 690
182: ok 691
182: ok 692
182: ok 693
182: ok 694
182: ok 695
182: ok 696
182: ok 697
182: ok 698
182: ok 699
182: ok 700
182: ok 701
182: ok 702
182: ok 703
182: ok 704
182: ok 705
182: ok 706
182: ok 707
182: ok 708
182: ok 709
182: ok 710
182: ok 711
182: ok 712
182: ok 713
182: ok 714
182: ok 715
182: ok 716
182: ok 717
182: ok 718
182: ok 719
182: ok 720
182: ok 721
182: ok 722
182: ok 723
182: ok 724
182: ok 725
182: ok 726
182: ok 727
182: ok 728
182: ok 729
182: ok 730
182: ok 731
182: ok 732
182: ok 733
182: ok 734
182: ok 735
182: ok 736
182: ok 737
182: ok 738
182: ok 739
182: ok 740
182: ok 741
182: ok 742
182: ok 743
182: ok 744
182: ok 745
182: ok 746
182: ok 747
182: ok 748
182: ok 749
182: ok 750
182: ok 751
182: ok 752
182: ok 753
182: ok 754
182: ok 755
182: ok 756
182: ok 757
182: ok 758
182: ok 759
182: ok 760
182: ok 761
182: ok 762
182: ok 763
182: ok 764
182: ok 765
182: ok 766
182: ok 767
182: ok 768
182: ok 769
182: ok 770
182: ok 771
182: ok 772
182: ok 773
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182: ok 776
182: ok 777
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182: ok 779
182: ok 780
182: ok 781
182: ok 782
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182: ok 784
182: ok 785
182: ok 786
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182: ok 788
182: ok 789
182: ok 790
182: ok 791
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182: ok 793
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182: ok 799
182: ok 800
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182: ok 802
182: ok 803
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182: ok 809
182: ok 810
182: ok 811
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182: ok 813
182: ok 814
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182: ok 817
182: ok 818
182: ok 819
182: ok 820
182: ok 821
182: ok 822
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182: ok 825
182: ok 826
182: ok 827
182: ok 828
182: ok 829
182: ok 830
182: ok 831
182: ok 832
182: ok 833
182: ok 834
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182: ok 840
182: ok 841
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182: ok 850
182: ok 851
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182: ok 853
182: ok 854
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182: ok 857
182: ok 858
182: ok 859
182: ok 860
182: ok 861
182: ok 862
182: ok 863
182: ok 864
182: ok 865
182: ok 866
182: ok 867
182: ok 868
182: ok 869
182: ok 870
182: ok 871
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182: ok 873
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182: ok 876
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182: ok 878
182: ok 879
182: ok 880
182: ok 881
182: ok 882
182: ok 883
182: ok 884
182: ok 885
182: ok 886
182: ok 887
182: ok 888
182: ok 889
182: ok 890
182: ok 891
182: ok 892
182: ok 893
182: ok 894
182: ok 895
182: ok 896
182: ok 897
182: ok 898
182: ok 899
182: ok 900
182: ok 901
182: ok 902
182: ok 903
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182: ok 907
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182: ok 909
182: ok 910
182: ok 911
182: ok 912
182: ok 913
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182: ok 917
182: ok 918
182: ok 919
182: ok 920
182: ok 921
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182: ok 923
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182: ok 925
182: ok 926
182: ok 927
182: ok 928
182: ok 929
182: ok 930
182: ok 931
182: ok 932
182: ok 933
182: ok 934
182: ok 935
182: ok 936
182: ok 937
182: ok 938
182: ok 939
182: ok 940
182: ok 941
182: ok 942
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182: ok 946
182: ok 947
182: ok 948
182: ok 949
182: ok 950
182: ok 951
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182: ok 953
182: ok 954
182: ok 955
182: ok 956
182: ok 957
182: ok 958
182: ok 959
182: ok 960
182: ok 961
182: ok 962
182: ok 963
182: ok 964
182: ok 965
182: ok 966
182: ok 967
182: ok 968
182: ok 969
182: ok 970
182: ok 971
182: ok 972
182: ok 973
182: ok 974
182: ok 975
182: ok 976
182: ok 977
182: ok 978
182: ok 979
182: ok 980
182: ok 981
182: ok 982
182: ok 983
182: ok 984
182: ok 985
182: ok 986
182: ok 987
182: ok 988
182: ok 989
182: ok 990
182: ok 991
182: ok 992
182: ok 993
182: ok 994
182: ok 995
182: ok 996
182: ok 997
182: ok 998
182: ok 999
182: ok 1000
182: ok 1001
182: ok 1002
182: ok 1003
182: ok 1004
182: ok 1005
182: ok 1006
182: ok 1007
182: ok 1008
182: ok 1009
182: ok 1010
182: ok 1011
182: ok 1012
182: ok 1013
182: ok 1014
182: ok 1015
182: ok 1016
182: ok 1017
182: ok 1018
182: ok 1019
182: ok 1020
182: ok 1021
182: ok 1022
182: ok 1023
182: ok 1024
182: ok 1025
182: ok 1026
182: ok 1027
182: ok 1028
182: ok 1029
182: ok 1030
182: ok 1031
182: ok 1032
182: ok 1033
182: ok 1034
182: ok 1035
182: ok 1036
182: ok 1037
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182: ok 1039
182: ok 1040
182: ok 1041
182: ok 1042
182: ok 1043
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182: ok 1045
182: ok 1046
182: ok 1047
182: ok 1048
182: ok 1049
182: ok 1050
182: ok 1051
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182: ok 1053
182: ok 1054
182: ok 1055
182: ok 1056
182: ok 1057
182: ok 1058
182: ok 1059
182: ok 1060
182: ok 1061
182: ok 1062
182: ok 1063
182: ok 1064
182: ok 1065
182: ok 1066
182: ok 1067
182: ok 1068
182: ok 1069
182: ok 1070
182: ok 1071
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182: ok 1073
182: ok 1074
182: ok 1075
182: ok 1076
182: ok 1077
182: ok 1078
182: ok 1079
182: ok 1080
182: ok 1081
182: ok 1082
182: ok 1083
182: ok 1084
182: ok 1085
182: ok 1086
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182: ok 1088
182: ok 1089
182: ok 1090
182: ok 1091
182: ok 1092
182: ok 1093
182: ok 1094
182: ok 1095
182: ok 1096
182: ok 1097
182: ok 1098
182: ok 1099
182: ok 1100
182: ok 1101
182: ok 1102
182: ok 1103
182: ok 1104
182: ok 1105
182: ok 1106
182: ok 1107
182: ok 1108
182: ok 1109
182: ok 1110
182: ok 1111
182: ok 1112
182: ok 1113
182: ok 1114
182: ok 1115
182: ok 1116
182: ok 1117
182: ok 1118
182: ok 1119
182: ok 1120
182: ok 1121
182: ok 1122
182: ok 1123
182: ok 1124
182: ok 1125
182: ok 1126
182: ok 1127
182: ok 1128
182: ok 1129
182: ok 1130
182: ok 1131
182: ok 1132
182: ok 1133
182: ok 1134
182: ok 1135
182: ok 1136
182: ok 1137
182: ok 1138
182: ok 1139
182: ok 1140
182: ok 1141
182: ok 1142
182: ok 1143
182: ok 1144
182: ok 1145
182: ok 1146
182: ok 1147
182: ok 1148
182: ok 1149
182: ok 1150
182: ok 1151
182: ok 1152
182: ok 1153
182: ok 1154
182: ok 1155
182: ok 1156
182: ok 1157
182: ok 1158
182: ok 1159
182: ok 1160
182: ok 1161
182: ok 1162
182: ok 1163
182: ok 1164
182: ok 1165
182: ok 1166
182: ok 1167
182: ok 1168
182: ok 1169
182: ok 1170
182: ok 1171
182: ok 1172
182: ok 1173
182: ok 1174
182: ok 1175
182: ok 1176
182: ok 1177
182: ok 1178
182: ok 1179
182: ok 1180
182: ok 1181
182: ok 1182
182: ok 1183
182: ok 1184
182: ok 1185
182: ok 1186
182: ok 1187
182: ok 1188
182: ok 1189
182: ok 1190
182: ok 1191
182: ok 1192
182: ok 1193
182: ok 1194
182: ok 1195
182: ok 1196
182: ok 1197
182: ok 1198
182: ok 1199
182: ok 1200
182: ok 1201
182: ok 1202
182: ok 1203
182: ok 1204
182: ok 1205
182: ok 1206
182: ok 1207
182: ok 1208
182: ok 1209
182: ok 1210
182: ok 1211
182: ok 1212
182: ok 1213
182: ok 1214
182: ok 1215
182: ok 1216
182: ok 1217
182: ok 1218
182: ok 1219
182: ok 1220
182: ok 1221
182: ok 1222
182: ok 1223
182: ok 1224
182: ok 1225
182: ok 1226
182: ok 1227
182: ok 1228
182: ok 1229
182: ok 1230
182: ok 1231
182: ok 1232
182: ok 1233
182: ok 1234
182: ok 1235
182: ok 1236
182: ok 1237
182: ok 1238
182: ok 1239
182: ok 1240
182: ok 1241
182: ok 1242
182: ok 1243
182: ok 1244
182: ok 1245
182: ok 1246
182: ok 1247
182: ok 1248
182: ok 1249
182: ok 1250
182: ok 1251
182: ok 1252
182: ok 1253
182: ok 1254
182: ok 1255
182: ok 1256
182: ok 1257
182: ok 1258
182: ok 1259
182: ok 1260
182: ok 1261
182: ok 1262
182: ok 1263
182: ok 1264
182: ok 1265
182: ok 1266
182: ok 1267
182: ok 1268
182: ok 1269
182: ok 1270
182: ok 1271
182: ok 1272
182: ok 1273
182: ok 1274
182: ok 1275
182: ok 1276
182: ok 1277
182: ok 1278
182: ok 1279
182: ok 1280
182: ok 1281
182: ok 1282
182: ok 1283
182: ok 1284
182: ok 1285
182: ok 1286
182: ok 1287
182: ok 1288
182: ok 1289
182: ok 1290
182: ok 1291
182: ok 1292
182: ok 1293
182: ok 1294
182: ok 1295
182: ok 1296
182: ok 1297
182: ok 1298
182: ok 1299
182: ok 1300
182: ok 1301
182: ok 1302
182: ok 1303
182: ok 1304
182: ok 1305
182: ok 1306
182: ok 1307
182: ok 1308
182: ok 1309
182: ok 1310
182: ok 1311
182: ok 1312
182: ok 1313
182: ok 1314
182: ok 1315
182: ok 1316
182: ok 1317
182: ok 1318
182: ok 1319
182: ok 1320
182: ok 1321
182: ok 1322
182: ok 1323
182: ok 1324
182: ok 1325
182: ok 1326
182: ok 1327
182: ok 1328
182: ok 1329
182: ok 1330
182: ok 1331
182: ok 1332
182: ok 1333
182: ok 1334
182: ok 1335
182: ok 1336
182: ok 1337
182: ok 1338
182: ok 1339
182: ok 1340
182: ok 1341
182: ok 1342
182: ok 1343
182: ok 1344
182: ok 1345
182: ok 1346
182: ok 1347
182: ok 1348
182: ok 1349
182: ok 1350
182: ok 1351
182: ok 1352
182: ok 1353
182: ok 1354
182: ok 1355
182: ok 1356
182: ok 1357
182: ok 1358
182: ok 1359
182: ok 1360
182: ok 1361
182: ok 1362
182: ok 1363
182: ok 1364
182: ok 1365
182: ok 1366
182: ok 1367
182: ok 1368
182: ok 1369
182: ok 1370
182: ok 1371
182: ok 1372
182: ok 1373
182: ok 1374
182: ok 1375
182: ok 1376
182: ok 1377
182: ok 1378
182: ok 1379
182: ok 1380
182: ok 1381
182: ok 1382
182: ok 1383
182: ok 1384
182: ok 1385
182: ok 1386
182: ok 1387
182: ok 1388
182: ok 1389
182: ok 1390
182: ok 1391
182: ok 1392
182: ok 1393
182: ok 1394
182: ok 1395
182: ok 1396
182: ok 1397
182: ok 1398
182: ok 1399
182: ok 1400
182: ok 1401
182: ok 1402
182: ok 1403
182: ok 1404
182: ok 1405
182: ok 1406
182: ok 1407
182: ok 1408
182: ok 1409
182: ok 1410
182: ok 1411
182: ok 1412
182: ok 1413
182: ok 1414
182: ok 1415
182: ok 1416
182: ok 1417
182: ok 1418
182: ok 1419
182: ok 1420
182: ok 1421
182: ok 1422
182: ok 1423
182: ok 1424
182: ok 1425
182: ok 1426
182: ok 1427
182: ok 1428
182: ok 1429
182: ok 1430
182: ok 1431
182: ok 1432
182: ok 1433
182: ok 1434
182: ok 1435
182: ok 1436
182: ok 1437
182: ok 1438
182: ok 1439
182: ok 1440
182: ok 1441
182: ok 1442
182: ok 1443
182: ok 1444
182: ok 1445
182: ok 1446
182: ok 1447
182: ok 1448
182: ok 1449
182: ok 1450
182: ok 1451
182: ok 1452
182: ok 1453
182: ok 1454
182: ok 1455
182: ok 1456
182: ok 1457
182: ok 1458
182: ok 1459
182: ok 1460
182: ok 1461
182: ok 1462
182: ok 1463
182: ok 1464
182: ok 1465
182: ok 1466
182: ok 1467
182: ok 1468
182: ok 1469
182: ok 1470
182: ok 1471
182: ok 1472
182: ok 1473
182: ok 1474
182: ok 1475
182: ok 1476
182: ok 1477
182: ok 1478
182: ok 1479
182: ok 1480
182: ok 1481
182: ok 1482
182: ok 1483
182: ok 1484
182: ok 1485
182: ok 1486
182: ok 1487
182: ok 1488
182: ok 1489
182: ok 1490
182: ok 1491
182: ok 1492
182: ok 1493
182: ok 1494
182: ok 1495
182: ok 1496
182: ok 1497
182: ok 1498
182: ok 1499
182: ok 1500
182: ok 1501
182: ok 1502
182: ok 1503
182: ok 1504
182: ok 1505
182: ok 1506
182: ok 1507
182: ok 1508
182: ok 1509
182: ok 1510
182: ok 1511
182: ok 1512
182: ok 1513
182: ok 1514
182: ok 1515
182: ok 1516
182: ok 1517
182: ok 1518
182: ok 1519
182: ok 1520
182: ok 1521
182: ok 1522
182: ok 1523
182: ok 1524
182: ok 1525
182: ok 1526
182: ok 1527
182: ok 1528
182: ok 1529
182: ok 1530
182: ok 1531
182: ok 1532
182: ok 1533
182: ok 1534
182: ok 1535
182: ok 1536
182: ok 1537
182: ok 1538
182: ok 1539
182: ok 1540
182: ok 1541
182: ok 1542
182: ok 1543
182: ok 1544
182: ok 1545
182: ok 1546
182: ok 1547
182: ok 1548
182: ok 1549
182: ok 1550
182: ok 1551
182: ok 1552
182: ok 1553
182: ok 1554
182: ok 1555
182: ok 1556
182: ok 1557
182: ok 1558
182: ok 1559
182: ok 1560
182: ok 1561
182: ok 1562
182: ok 1563
182: ok 1564
182: ok 1565
182: ok 1566
182: ok 1567
182: ok 1568
182: ok 1569
182: ok 1570
182: ok 1571
182: ok 1572
182: ok 1573
182: ok 1574
182: ok 1575
182: ok 1576
182: ok 1577
182: ok 1578
182: ok 1579
182: ok 1580
182: ok 1581
182: ok 1582
182: ok 1583
182: ok 1584
182: ok 1585
182: ok 1586
182: ok 1587
182: ok 1588
182: ok 1589
182: ok 1590
182: ok 1591
182: ok 1592
182: ok 1593
182: ok 1594
182: ok 1595
182: ok 1596
182: ok 1597
182: ok 1598
182: ok 1599
182: ok 1600
182: ok 1601
182: ok 1602
182: ok 1603
182: ok 1604
182: ok 1605
182: ok 1606
182: ok 1607
182: ok 1608
182: ok 1609
182: ok 1610
182: ok 1611
182: ok 1612
182: ok 1613
182: ok 1614
182: ok 1615
182: ok 1616
182: ok 1617
182: ok 1618
182: ok 1619
182: ok 1620
182: ok 1621
182: ok 1622
182: ok 1623
182: ok 1624
182: ok 1625
182: ok 1626
182: ok 1627
182: ok 1628
182: ok 1629
182: ok 1630
182: ok 1631
182: ok 1632
182: ok 1633
182: ok 1634
182: ok 1635
182: ok 1636
182: ok 1637
182: ok 1638
182: ok 1639
182: ok 1640
182: ok 1641
182: ok 1642
182: ok 1643
182: ok 1644
182: ok 1645
182: ok 1646
182: ok 1647
182: ok 1648
182: ok 1649
182: ok 1650
182: ok 1651
182: ok 1652
182: ok 1653
182: ok 1654
182: ok 1655
182: ok 1656
182: ok 1657
182: ok 1658
182: ok 1659
182: ok 1660
182: ok 1661
182: ok 1662
182: ok 1663
182: ok 1664
182: ok 1665
182: ok 1666
182: ok 1667
182: ok 1668
182: ok 1669
182: ok 1670
182: ok 1671
182: ok 1672
182: ok 1673
182: ok 1674
182: ok 1675
182: ok 1676
182: ok 1677
182: ok 1678
182: ok 1679
182: ok 1680
182: ok 1681
182: ok 1682
182: ok 1683
182: ok 1684
182: ok 1685
182: ok 1686
182: ok 1687
182: ok 1688
182: ok 1689
182: ok 1690
182: ok 1691
182: ok 1692
182: ok 1693
182: ok 1694
182: ok 1695
182: ok 1696
182: ok 1697
182: ok 1698
182: ok 1699
182: ok 1700
182: ok 1701
182: ok 1702
182: ok 1703
182: ok 1704
182: ok 1705
182: ok 1706
182: ok 1707
182: ok 1708
182: ok 1709
182: ok 1710
182: ok 1711
182: ok 1712
182: ok 1713
182: ok 1714
182: ok 1715
182: ok 1716
182: ok 1717
182: ok 1718
182: ok 1719
182: ok 1720
182: ok 1721
182: ok 1722
182: ok 1723
182: ok 1724
182: ok 1725
182: ok 1726
182: ok 1727
182: ok 1728
182: ok 1729
182: ok 1730
182: ok 1731
182: ok 1732
182: ok 1733
182: ok 1734
182: ok 1735
182: ok 1736
182: ok 1737
182: ok 1738
182: ok 1739
182: ok 1740
182: ok 1741
182: ok 1742
182: ok 1743
182: ok 1744
182: ok 1745
182: ok 1746
182: ok 1747
182: ok 1748
182: ok 1749
182: ok 1750
182: ok 1751
182: ok 1752
182: ok 1753
182: ok 1754
182: ok 1755
182: ok 1756
182: ok 1757
182: ok 1758
182: ok 1759
182: ok 1760
182: ok 1761
182: ok 1762
182: ok 1763
182: ok 1764
182: ok 1765
182: ok 1766
182: ok 1767
182: ok 1768
182: ok 1769
182: ok 1770
182: ok 1771
182: ok 1772
182: ok 1773
182: ok 1774
182: ok 1775
182: ok 1776
182: ok 1777
182: ok 1778
182: ok 1779
182: ok 1780
182: ok 1781
182: ok 1782
182: ok 1783
182: ok 1784
182: ok 1785
182: ok 1786
182: ok 1787
182: ok 1788
182: ok 1789
182: ok 1790
182: ok 1791
182: ok 1792
182: ok 1793
182: ok 1794
182: ok 1795
182: ok 1796
182: ok 1797
182: ok 1798
182: ok 1799
182: ok 1800
182: ok 1801
182: ok 1802
182: ok 1803
182: ok 1804
182: ok 1805
182: ok 1806
182: ok 1807
182: ok 1808
182: ok 1809
182: ok 1810
182: ok 1811
182: ok 1812
182: ok 1813
182: ok 1814
182: ok 1815
182: ok 1816
182: ok 1817
182: ok 1818
182: ok 1819
182: ok 1820
182: ok 1821
182: ok 1822
182: ok 1823
182: ok 1824
182: ok 1825
182: ok 1826
182: ok 1827
182: ok 1828
182: ok 1829
182: ok 1830
182: ok 1831
182: ok 1832
182: ok 1833
182: ok 1834
182: ok 1835
182: ok 1836
182: ok 1837
182: ok 1838
182: ok 1839
182: ok 1840
182: ok 1841
182: ok 1842
182: ok 1843
182: ok 1844
182: ok 1845
182: ok 1846
182: ok 1847
182: ok 1848
182: ok 1849
182: ok 1850
182: ok 1851
182: ok 1852
182: ok 1853
182: ok 1854
182: ok 1855
182: ok 1856
182: ok 1857
182: ok 1858
182: ok 1859
182: ok 1860
182: ok 1861
182: ok 1862
182: ok 1863
182: ok 1864
182: ok 1865
182: ok 1866
182: ok 1867
182: ok 1868
182: ok 1869
182: ok 1870
182: ok 1871
182: ok 1872
182: ok 1873
182: ok 1874
182: ok 1875
182: ok 1876
182: ok 1877
182: ok 1878
182: ok 1879
182: ok 1880
182: ok 1881
182: ok 1882
182: ok 1883
182: ok 1884
182: ok 1885
182: ok 1886
182: ok 1887
182: ok 1888
182: ok 1889
182: ok 1890
182: ok 1891
182: ok 1892
182: ok 1893
182: ok 1894
182: ok 1895
182: ok 1896
182: ok 1897
182: ok 1898
182: ok 1899
182: ok 1900
182: ok 1901
182: ok 1902
182: ok 1903
182: ok 1904
182: ok 1905
182: ok 1906
182: ok 1907
182: ok 1908
182: ok 1909
182: ok 1910
182: ok 1911
182: ok 1912
182: ok 1913
182: ok 1914
182: ok 1915
182: ok 1916
182: ok 1917
182: ok 1918
182: ok 1919
182: ok 1920
182: ok 1921
182: ok 1922
182: ok 1923
182: ok 1924
182: ok 1925
182: ok 1926
182: ok 1927
182: ok 1928
182: ok 1929
182: ok 1930
182: ok 1931
182: ok 1932
182: ok 1933
182: ok 1934
182: ok 1935
182: ok 1936
182: ok 1937
182: ok 1938
182: ok 1939
182: ok 1940
182: ok 1941
182: ok 1942
182: ok 1943
182: ok 1944
182: ok 1945
182: ok 1946
182: ok 1947
182: ok 1948
182: ok 1949
182: ok 1950
182: ok 1951
182: ok 1952
182: ok 1953
182: ok 1954
182: ok 1955
182: ok 1956
182: ok 1957
182: ok 1958
182: ok 1959
182: ok 1960
182: ok 1961
182: ok 1962
182: ok 1963
182: ok 1964
182: ok 1965
182: ok 1966
182: ok 1967
182: ok 1968
182: ok 1969
182: ok 1970
182: ok 1971
182: ok 1972
182: ok 1973
182: ok 1974
182: ok 1975
182: ok 1976
182: ok 1977
182: ok 1978
182: ok 1979
182: ok 1980
182: ok 1981
182: ok 1982
182: ok 1983
182: ok 1984
182: ok 1985
182: ok 1986
182: ok 1987
182: ok 1988
182: ok 1989
182: ok 1990
182: ok 1991
182: ok 1992
182: ok 1993
182: ok 1994
182: ok 1995
182: ok 1996
182: ok 1997
182: ok 1998
182: ok 1999
182: ok 2000
182: ok 2001
182: ok 2002
182: ok 2003
182: ok 2004
182: ok 2005
182: ok 2006
182: ok 2007
182: ok 2008
182: ok 2009
182: ok 2010
182: ok 2011
182: ok 2012
182: ok 2013
182: ok 2014
182: ok 2015
182: ok 2016
182: ok 2017
182: ok 2018
182: ok 2019
182: ok 2020
182: ok 2021
182: ok 2022
182: ok 2023
182: ok 2024
182: ok 2025
182: ok 2026
182: ok 2027
182: ok 2028
182: ok 2029
182: ok 2030
182: ok 2031
182: ok 2032
182: ok 2033
182: ok 2034
182: ok 2035
182: ok 2036
182: ok 2037
182: ok 2038
182: ok 2039
182: ok 2040
182: ok 2041
182: ok 2042
182: ok 2043
182: ok 2044
182: ok 2045
182: ok 2046
182: ok 2047
182: ok 2048
182: ok 2049
182: ok 2050
182: ok 2051
182: ok 2052
182: ok 2053
182: ok 2054
182: ok 2055
182: ok 2056
182: ok 2057
182: ok 2058
182: ok 2059
182: ok 2060
182: ok 2061
182: ok 2062
182: ok 2063
182: ok 2064
182: ok 2065
182: ok 2066
182: ok 2067
182: ok 2068
182: ok 2069
182: ok 2070
182: ok 2071
182: ok 2072
182: ok 2073
182: ok 2074
182: ok 2075
182: ok 2076
182: ok 2077
182: ok 2078
182: ok 2079
182: ok 2080
182: ok 2081
182: ok 2082
182: ok 2083
182: ok 2084
182: ok 2085
182: ok 2086
182: ok 2087
182: ok 2088
182: ok 2089
182: ok 2090
182: ok 2091
182: ok 2092
182: ok 2093
182: ok 2094
182: ok 2095
182: ok 2096
182: ok 2097
182: ok 2098
182: ok 2099
182: ok 2100
182: ok 2101
182: ok 2102
182: ok 2103
182: ok 2104
182: ok 2105
182: ok 2106
182: ok 2107
182: ok 2108
182: ok 2109
182: ok 2110
182: ok 2111
182: ok 2112
182: ok 2113
182: ok 2114
182: ok 2115
182: ok 2116
182: ok 2117
182: ok 2118
182: ok 2119
182: ok 2120
182: ok 2121
182: ok 2122
182: ok 2123
182: ok 2124
182: ok 2125
182: ok 2126
182: ok 2127
182: ok 2128
182: ok 2129
182: ok 2130
182: ok 2131
182: ok 2132
182: ok 2133
182: ok 2134
182: ok 2135
182: ok 2136
182: ok 2137
182: ok 2138
182: ok 2139
182: ok 2140
182: ok 2141
182: ok 2142
182: ok 2143
182: ok 2144
182: ok 2145
182: ok 2146
182: ok 2147
182: ok 2148
182: ok 2149
182: ok 2150
182: ok 2151
182: ok 2152
182: ok 2153
182: ok 2154
182: ok 2155
182: ok 2156
182: ok 2157
182: ok 2158
182: ok 2159
182: ok 2160
182: ok 2161
182: ok 2162
182: ok 2163
182: ok 2164
182: ok 2165
182: ok 2166
182: ok 2167
182: ok 2168
182: ok 2169
182: ok 2170
182: ok 2171
182: ok 2172
182: ok 2173
182: ok 2174
182: ok 2175
182: ok 2176
182: ok 2177
182: ok 2178
182: ok 2179
182: ok 2180
182: ok 2181
182: ok 2182
182: ok 2183
182: ok 2184
182: ok 2185
182: ok 2186
182: ok 2187
182: ok 2188
182: ok 2189
182: ok 2190
182: ok 2191
182: ok 2192
182: ok 2193
182: ok 2194
182: ok 2195
182: ok 2196
182: ok 2197
182: ok 2198
182: ok 2199
182: ok 2200
182: ok 2201
182: ok 2202
182: ok 2203
182: ok 2204
182: ok 2205
182: ok 2206
182: ok 2207
182: ok 2208
182: ok 2209
182: ok 2210
182: ok 2211
182: ok 2212
182: ok 2213
182: ok 2214
182: ok 2215
182: ok 2216
182: ok 2217
182: ok 2218
182: ok 2219
182: ok 2220
182: ok 2221
182: ok 2222
182: ok 2223
182: ok 2224
182: ok 2225
182: ok 2226
182: ok 2227
182: ok 2228
182: ok 2229
182: ok 2230
182: ok 2231
182: ok 2232
182: ok 2233
182: ok 2234
182: ok 2235
182: ok 2236
182: ok 2237
182: ok 2238
182: ok 2239
182: ok 2240
182: ok 2241
182: ok 2242
182: ok 2243
182: ok 2244
182: ok 2245
182: ok 2246
182: ok 2247
182: ok 2248
182: ok 2249
182: ok 2250
182: ok 2251
182: ok 2252
182: ok 2253
182: ok 2254
182: ok 2255
182: ok 2256
182: ok 2257
182: ok 2258
182: ok 2259
182: ok 2260
182: ok 2261
182: ok 2262
182: ok 2263
182: ok 2264
182: ok 2265
182: ok 2266
182: ok 2267
182: ok 2268
182: ok 2269
182: ok 2270
182: ok 2271
182: ok 2272
182: ok 2273
182: ok 2274
182: ok 2275
182: ok 2276
182: ok 2277
182: ok 2278
182: ok 2279
182: ok 2280
182: ok 2281
182: ok 2282
182: ok 2283
182: ok 2284
182: ok 2285
182: ok 2286
182: ok 2287
182: ok 2288
182: ok 2289
182: ok 2290
182: ok 2291
182: ok 2292
182: ok 2293
182: ok 2294
182: ok 2295
182: ok 2296
182: ok 2297
182: ok 2298
182: ok 2299
182: ok 2300
182: ok 2301
182: ok 2302
182: ok 2303
182: ok 2304
182: ok 2305
182: ok 2306
182: ok 2307
182: ok 2308
182: ok 2309
182: ok 2310
182: ok 2311
182: ok 2312
182: ok 2313
182: ok 2314
182: ok 2315
182: ok 2316
182: ok 2317
182: ok 2318
182: ok 2319
182: ok 2320
182: ok 2321
182: ok 2322
182: ok 2323
182: ok 2324
182: ok 2325
182: ok 2326
182: ok 2327
182: ok 2328
182: ok 2329
182: ok 2330
182: ok 2331
182: ok 2332
182: ok 2333
182: ok 2334
182: ok 2335
182: ok 2336
182: ok 2337
182: ok 2338
182: ok 2339
182: ok 2340
182: ok 2341
182: ok 2342
182: ok 2343
182: ok 2344
182: ok 2345
182: ok 2346
182: ok 2347
182: ok 2348
182: ok 2349
182: ok 2350
182: ok 2351
182: ok 2352
182: ok 2353
182: ok 2354
182: ok 2355
182: ok 2356
182: ok 2357
182: ok 2358
182: ok 2359
182: ok 2360
182: ok 2361
182: ok 2362
182: ok 2363
182: ok 2364
182: ok 2365
182: ok 2366
182: ok 2367
182: ok 2368
182: ok 2369
182: ok 2370
182: ok 2371
182: ok 2372
182: ok 2373
182: ok 2374
182: ok 2375
182: ok 2376
182: ok 2377
182: ok 2378
182: ok 2379
182: ok 2380
182: ok 2381
182: ok 2382
182: ok 2383
182: ok 2384
182: ok 2385
182: ok 2386
182: ok 2387
182: ok 2388
182: ok 2389
182: ok 2390
182: ok 2391
182: ok 2392
182: ok 2393
182: ok 2394
182: ok 2395
182: ok 2396
182: ok 2397
182: ok 2398
182: ok 2399
182: ok 2400
182: ok 2401
182: ok 2402
182: ok 2403
182: ok 2404
182: ok 2405
182: ok 2406
182: ok 2407
182: ok 2408
182: ok 2409
182: ok 2410
182: ok 2411
182: ok 2412
182: ok 2413
182: ok 2414
182: ok 2415
182: ok 2416
182: ok 2417
182: ok 2418
182: ok 2419
182: ok 2420
182: ok 2421
182: ok 2422
182: ok 2423
182: ok 2424
182: ok 2425
182: ok 2426
182: ok 2427
182: ok 2428
182: ok 2429
182: ok 2430
182: ok 2431
182: ok 2432
182: ok 2433
182: ok 2434
182: ok 2435
182: ok 2436
182: ok 2437
182: ok 2438
182: ok 2439
182: ok 2440
182: ok 2441
182: ok 2442
182: ok 2443
182: ok 2444
182: ok 2445
182: ok 2446
182: ok 2447
182: ok 2448
182: ok 2449
182: ok 2450
182: ok 2451
182: ok 2452
182: ok 2453
182: ok 2454
182: ok 2455
182: ok 2456
182: ok 2457
182: ok 2458
182: ok 2459
182: ok 2460
182: ok 2461
182: ok 2462
182: ok 2463
182: ok 2464
182: ok 2465
182: ok 2466
182: ok 2467
182: ok 2468
182: ok 2469
182: ok 2470
182: ok 2471
182: ok 2472
182: ok 2473
182: ok 2474
182: ok 2475
182: ok 2476
182: ok 2477
182: ok 2478
182: ok 2479
182: ok 2480
182: ok 2481
182: ok 2482
182: ok 2483
182: ok 2484
182: ok 2485
182: ok 2486
182: ok 2487
182: ok 2488
182: ok 2489
182: ok 2490
182: ok 2491
182: ok 2492
182: ok 2493
182: ok 2494
182: ok 2495
182: ok 2496
182: ok 2497
182: ok 2498
182: ok 2499
182: ok 2500
182: ok 2501
182: ok 2502
182: ok 2503
182: ok 2504
182: ok 2505
182: ok 2506
182: ok 2507
182: ok 2508
182: ok 2509
182: ok 2510
182: ok 2511
182: ok 2512
182: ok 2513
182: ok 2514
182: ok 2515
182: ok 2516
182: ok 2517
182: ok 2518
182: ok 2519
182: ok 2520
182: ok 2521
182: ok 2522
182: ok 2523
182: ok 2524
182: ok 2525
182: ok 2526
182: ok 2527
182: ok 2528
182: ok 2529
182: ok 2530
182: ok 2531
182: ok 2532
182: ok 2533
182: ok 2534
182: ok 2535
182: ok 2536
182: ok 2537
182: ok 2538
182: ok 2539
182: ok 2540
182: ok 2541
182: ok 2542
182: ok 2543
182: ok 2544
182: ok 2545
182: ok 2546
182: ok 2547
182: ok 2548
182: ok 2549
182: ok 2550
182: ok 2551
182: ok 2552
182: ok 2553
182: ok 2554
182: ok 2555
182: ok 2556
182: ok 2557
182: ok 2558
182: ok 2559
182: ok 2560
182: ok 2561
182: ok 2562
182: ok 2563
182: ok 2564
182: ok 2565
182: ok 2566
182: ok 2567
182: ok 2568
182: ok 2569
182: ok 2570
182: ok 2571
182: ok 2572
182: ok 2573
182: ok 2574
182: ok 2575
182: ok 2576
182: ok 2577
182: ok 2578
182: ok 2579
182: ok 2580
182: ok 2581
182: ok 2582
182: ok 2583
182: ok 2584
182: ok 2585
182: ok 2586
182: ok 2587
182: ok 2588
182: ok 2589
182: ok 2590
182: ok 2591
182: ok 2592
182: ok 2593
182: ok 2594
182: ok 2595
182: ok 2596
182: ok 2597
182: ok 2598
182: ok 2599
182: ok 2600
182: ok 2601
182: ok 2602
182: ok 2603
182: ok 2604
182: ok 2605
182: ok 2606
182: ok 2607
182: ok 2608
182: ok 2609
182: ok 2610
182: ok 2611
182: ok 2612
182: ok 2613
182: ok 2614
182: ok 2615
182: ok 2616
182: ok 2617
182: ok 2618
182: ok 2619
182: ok 2620
182: ok 2621
182: ok 2622
182: ok 2623
182: ok 2624
182: ok 2625
182: ok 2626
182: ok 2627
182: ok 2628
182: ok 2629
182: ok 2630
182: ok 2631
182: ok 2632
182: ok 2633
182: ok 2634
182: ok 2635
182: ok 2636
182: ok 2637
182: ok 2638
182: ok 2639
182: ok 2640
182: ok 2641
182: ok 2642
182: ok 2643
182: ok 2644
182: ok 2645
182: ok 2646
182: ok 2647
182: ok 2648
182: ok 2649
182: ok 2650
182: ok 2651
182: ok 2652
182: ok 2653
182: ok 2654
182: ok 2655
182: ok 2656
182: ok 2657
182: ok 2658
182: ok 2659
182: ok 2660
182: ok 2661
182: ok 2662
182: ok 2663
182: ok 2664
182: ok 2665
182: ok 2666
182: ok 2667
182: ok 2668
182: ok 2669
182: ok 2670
182: ok 2671
182: ok 2672
182: ok 2673
182: ok 2674
182: ok 2675
182: ok 2676
182: ok 2677
182: ok 2678
182: ok 2679
182: ok 2680
182: ok 2681
182: ok 2682
182: ok 2683
182: ok 2684
182: ok 2685
182: ok 2686
182: ok 2687
182: ok 2688
182: ok 2689
182: ok 2690
182: ok 2691
182: ok 2692
182: ok 2693
182: ok 2694
182: ok 2695
182: ok 2696
182: ok 2697
182: ok 2698
182: ok 2699
182: ok 2700
182: ok 2701
182: ok 2702
182: ok 2703
182: ok 2704
182: ok 2705
182: ok 2706
182: ok 2707
182: ok 2708
182: ok 2709
182: ok 2710
182: ok 2711
182: ok 2712
182: ok 2713
182: ok 2714
182: ok 2715
182: ok 2716
182: ok 2717
182: ok 2718
182: ok 2719
182: ok 2720
182: ok 2721
182: ok 2722
182: ok 2723
182: ok 2724
182: ok 2725
182: ok 2726
182: ok 2727
182: ok 2728
182: ok 2729
182: ok 2730
182: ok 2731
182: ok 2732
182: ok 2733
182: ok 2734
182: ok 2735
182: ok 2736
182: ok 2737
182: ok 2738
182: ok 2739
182: ok 2740
182: ok 2741
182: ok 2742
182: ok 2743
182: ok 2744
182: ok 2745
182: ok 2746
182: ok 2747
182: ok 2748
182: ok 2749
182: ok 2750
182: ok 2751
182: ok 2752
182: ok 2753
182: ok 2754
182: ok 2755
182: ok 2756
182: ok 2757
182: ok 2758
182: ok 2759
182: ok 2760
182: ok 2761
182: ok 2762
182: ok 2763
182: ok 2764
182: ok 2765
182: ok 2766
182: ok 2767
182: ok 2768
182: ok 2769
182: ok 2770
182: ok 2771
182: ok 2772
182: ok 2773
182: ok 2774
182: ok 2775
182: ok 2776
182: ok 2777
182: ok 2778
182: ok 2779
182: ok 2780
182: ok 2781
182: ok 2782
182: ok 2783
182: ok 2784
182: ok 2785
182: ok 2786
182: ok 2787
182: ok 2788
182: ok 2789
182: ok 2790
182: ok 2791
182: ok 2792
182: ok 2793
182: ok 2794
182: ok 2795
182: ok 2796
182: ok 2797
182: ok 2798
182: ok 2799
182: ok 2800
182: ok 2801
182: ok 2802
182: ok 2803
182: ok 2804
182: ok 2805
182: ok 2806
182: ok 2807
182: ok 2808
182: ok 2809
182: ok 2810
182: ok 2811
182: ok 2812
182: ok 2813
182: ok 2814
182: ok 2815
182: ok 2816
182: ok 2817
182: ok 2818
182: ok 2819
182: ok 2820
182: ok 2821
182: ok 2822
182: ok 2823
182: ok 2824
182: ok 2825
182: ok 2826
182: ok 2827
182: ok 2828
182: ok 2829
182: ok 2830
182: ok 2831
182: ok 2832
182: ok 2833
182: ok 2834
182: ok 2835
182: ok 2836
182: ok 2837
182: ok 2838
182: ok 2839
182: ok 2840
182: ok 2841
182: ok 2842
182: ok 2843
182: ok 2844
182: ok 2845
182: ok 2846
182: ok 2847
182: ok 2848
182: ok 2849
182: ok 2850
182: ok 2851
182: ok 2852
182: ok 2853
182: ok 2854
182: ok 2855
182: ok 2856
182: ok 2857
182: ok 2858
182: ok 2859
182: ok 2860
182: ok 2861
182: ok 2862
182: ok 2863
182: ok 2864
182: ok 2865
182: ok 2866
182: ok 2867
182: ok 2868
182: ok 2869
182: ok 2870
182: ok 2871
182: ok 2872
182: ok 2873
182: ok 2874
182: ok 2875
182: ok 2876
182: ok 2877
182: ok 2878
182: ok 2879
182: ok 2880
182: ok 2881
182: ok 2882
182: ok 2883
182: ok 2884
182: ok 2885
182: ok 2886
182: ok 2887
182: ok 2888
182: ok 2889
182: ok 2890
182: ok 2891
182: ok 2892
182: ok 2893
182: ok 2894
182: ok 2895
182: ok 2896
182: ok 2897
182: ok 2898
182: ok 2899
182: ok 2900
182: ok 2901
182: ok 2902
182: ok 2903
182: ok 2904
182: ok 2905
182: ok 2906
182: ok 2907
182: ok 2908
182: ok 2909
182: ok 2910
182: ok 2911
182: ok 2912
182: ok 2913
182: ok 2914
182: ok 2915
182: ok 2916
182: ok 2917
182: ok 2918
182: ok 2919
182: ok 2920
182: ok 2921
182: ok 2922
182: ok 2923
182: ok 2924
182: ok 2925
182: ok 2926
182: ok 2927
182: ok 2928
182: ok 2929
182: ok 2930
182: ok 2931
182: ok 2932
182: ok 2933
182: ok 2934
182: ok 2935
182: ok 2936
182: ok 2937
182: ok 2938
182: ok 2939
182: ok 2940
182: ok 2941
182: ok 2942
182: ok 2943
182: ok 2944
182: ok 2945
182: ok 2946
182: ok 2947
182: ok 2948
182: ok 2949
182: ok 2950
182: ok 2951
182: ok 2952
182: ok 2953
182: ok 2954
182: ok 2955
182: ok 2956
182: ok 2957
182: ok 2958
182: ok 2959
182: ok 2960
182: ok 2961
182: ok 2962
182: ok 2963
182: ok 2964
182: ok 2965
182: ok 2966
182: ok 2967
182: ok 2968
182: ok 2969
182: ok 2970
182: ok 2971
182: ok 2972
182: ok 2973
182: ok 2974
182: ok 2975
182: ok 2976
182: ok 2977
182: ok 2978
182: ok 2979
182: ok 2980
182: ok 2981
182: ok 2982
182: ok 2983
182: ok 2984
182: ok 2985
182: ok 2986
182: ok 2987
182: ok 2988
182: ok 2989
182: ok 2990
182: ok 2991
182: ok 2992
182: ok 2993
182: ok 2994
182: ok 2995
182: ok 2996
182: ok 2997
182: ok 2998
182: ok 2999
182: ok 3000
182: ok 3001
182: ok 3002
182: ok 3003
182: ok 3004
182: ok 3005
182: ok 3006
182: ok 3007
182: ok 3008
182: ok 3009
182: ok 3010
182: ok 3011
182: ok 3012
182: ok 3013
182: ok 3014
182: ok 3015
182: ok 3016
182: ok 3017
182: ok 3018
182: ok 3019
182: ok 3020
182: ok 3021
182: ok 3022
182: ok 3023
182: ok 3024
182: ok 3025
182: ok 3026
182: ok 3027
182: ok 3028
182: ok 3029
182: ok 3030
182: ok 3031
182: ok 3032
182: ok 3033
182: ok 3034
182: ok 3035
182: ok 3036
182: ok 3037
182: ok 3038
182: ok 3039
182: ok 3040
182: ok 3041
182: ok 3042
182: ok 3043
182: ok 3044
182: ok 3045
182: ok 3046
182: ok 3047
182: ok 3048
182: ok 3049
182: ok 3050
182: ok 3051
182: ok 3052
182: ok 3053
182: ok 3054
182: ok 3055
182: ok 3056
182: ok 3057
182: ok 3058
182: ok 3059
182: ok 3060
182: ok 3061
182: ok 3062
182: ok 3063
182: ok 3064
182: ok 3065
182: ok 3066
182: ok 3067
182: ok 3068
182: ok 3069
182: ok 3070
182: ok 3071
182: ok 3072
182: ok 3073
182: ok 3074
182: ok 3075
182: ok 3076
182: ok 3077
182: ok 3078
182: ok 3079
182: ok 3080
182: ok 3081
182: ok 3082
182: ok 3083
182: ok 3084
182: ok 3085
182: ok 3086
182: ok 3087
182: ok 3088
182: ok 3089
182: ok 3090
182: ok 3091
182: ok 3092
182: ok 3093
182: ok 3094
182: ok 3095
182: ok 3096
182: ok 3097
182: ok 3098
182: ok 3099
182: ok 3100
182: ok 3101
182: ok 3102
182: ok 3103
182: ok 3104
182: ok 3105
182: ok 3106
182: ok 3107
182: ok 3108
182: ok 3109
182: ok 3110
182: ok 3111
182: ok 3112
182: ok 3113
182: ok 3114
182: ok 3115
182: ok 3116
182: ok 3117
182: ok 3118
182: ok 3119
182: ok 3120
182: ok 3121
182: ok 3122
182: ok 3123
182: ok 3124
182: ok 3125
182: ok 3126
182: ok 3127
182: ok 3128
182: ok 3129
182: ok 3130
182: ok 3131
182: ok 3132
182: ok 3133
182: ok 3134
182: ok 3135
182: ok 3136
182: ok 3137
182: ok 3138
182: ok 3139
182: ok 3140
182: ok 3141
182: ok 3142
182: ok 3143
182: ok 3144
182: ok 3145
182: ok 3146
182: ok 3147
182: ok 3148
182: ok 3149
182: ok 3150
182: ok 3151
182: ok 3152
182: ok 3153
182: ok 3154
182: ok 3155
182: ok 3156
182: ok 3157
182: ok 3158
182: ok 3159
182: ok 3160
182: ok 3161
182: ok 3162
182: ok 3163
182: ok 3164
182: ok 3165
182: ok 3166
182: ok 3167
182: ok 3168
182: ok 3169
182: ok 3170
182: ok 3171
182: ok 3172
182: ok 3173
182: ok 3174
182: ok 3175
182: ok 3176
182: ok 3177
182: ok 3178
182: ok 3179
182: ok 3180
182: ok 3181
182: ok 3182
182: ok 3183
182: ok 3184
182: ok 3185
182: ok 3186
182: ok 3187
182: ok 3188
182: ok 3189
182: ok 3190
182: ok 3191
182: ok 3192
182: ok 3193
182: ok 3194
182: ok 3195
182: ok 3196
182: ok 3197
182: ok 3198
182: ok 3199
182: ok 3200
182: ok 3201
182: ok 3202
182: ok 3203
182: ok 3204
182: ok 3205
182: ok 3206
182: ok 3207
182: ok 3208
182: ok 3209
182: ok 3210
182: ok 3211
182: ok 3212
182: ok 3213
182: ok 3214
182: ok 3215
182: ok 3216
182: ok 3217
182: ok 3218
182: ok 3219
182: ok 3220
182: ok 3221
182: ok 3222
182: ok 3223
182: ok 3224
182: ok 3225
182: ok 3226
182: ok 3227
182: ok 3228
182: ok 3229
182: ok 3230
182: ok 3231
182: ok 3232
182: ok 3233
182: ok 3234
182: ok 3235
182: ok 3236
182: ok 3237
182: ok 3238
182: ok 3239
182: ok 3240
182: ok 3241
182: ok 3242
182: ok 3243
182: ok 3244
182: ok 3245
182: ok 3246
182: ok 3247
182: ok 3248
182: ok 3249
182: ok 3250
182: ok 3251
182: ok 3252
182: ok 3253
182: ok 3254
182: ok 3255
182: ok 3256
182: ok 3257
182: ok 3258
182: ok 3259
182: ok 3260
182: ok 3261
182: ok 3262
182: ok 3263
182: ok 3264
182: ok 3265
182: ok 3266
182: ok 3267
182: ok 3268
182: ok 3269
182: ok 3270
182: ok 3271
182: ok 3272
182: ok 3273
182: ok 3274
182: ok 3275
182: ok 3276
182: ok 3277
182: ok 3278
182: ok 3279
182: ok 3280
182: ok 3281
182: ok 3282
182: ok 3283
182: ok 3284
182: ok 3285
182: ok 3286
182: ok 3287
182: ok 3288
182: ok 3289
182: ok 3290
182: ok 3291
182: ok 3292
182: ok 3293
182: ok 3294
182: ok 3295
182: ok 3296
182: ok 3297
182: ok 3298
182: ok 3299
182: ok 3300
182: ok 3301
182: ok 3302
182: ok 3303
182: ok 3304
182: ok 3305
182: ok 3306
182: ok 3307
182: ok 3308
182: ok 3309
182: ok 3310
182: ok 3311
182: ok 3312
182: ok 3313
182: ok 3314
182: ok 3315
182: ok 3316
182: ok 3317
182: ok 3318
182: ok 3319
182: ok 3320
182: ok 3321
182: ok 3322
182: ok 3323
182: ok 3324
182: ok 3325
182: ok 3326
182: ok 3327
182: ok 3328
182: ok 3329
182: ok 3330
182: ok 3331
182: ok 3332
182: ok 3333
182: ok 3334
182: ok 3335
182: ok 3336
182: ok 3337
182: ok 3338
182: ok 3339
182: ok 3340
182: ok 3341
182: ok 3342
182: ok 3343
182: ok 3344
182: ok 3345
182: ok 3346
182: ok 3347
182: ok 3348
182: ok 3349
182: ok 3350
182: ok 3351
182: ok 3352
182: ok 3353
182: ok 3354
182: ok 3355
182: ok 3356
182: ok 3357
182: ok 3358
182: ok 3359
182: ok 3360
182: ok 3361
182: ok 3362
182: ok 3363
182: ok 3364
182: ok 3365
182: ok 3366
182: ok 3367
182: ok 3368
182: ok 3369
182: ok 3370
182: ok 3371
182: ok 3372
182: ok 3373
182: ok 3374
182: ok 3375
182: ok 3376
182: ok 3377
182: ok 3378
182: ok 3379
182: ok 3380
182: ok 3381
182: ok 3382
182: ok 3383
182: ok 3384
182: ok 3385
182: ok 3386
182: ok 3387
182: ok 3388
182: ok 3389
182: ok 3390
182: ok 3391
182: ok 3392
182: ok 3393
182: ok 3394
182: ok 3395
182: ok 3396
182: ok 3397
182: ok 3398
182: ok 3399
182: ok 3400
182: ok 3401
182: ok 3402
182: ok 3403
182: ok 3404
182: ok 3405
182: ok 3406
182: ok 3407
182: ok 3408
182: ok 3409
182: ok 3410
182: ok 3411
182: ok 3412
182: ok 3413
182: ok 3414
182: ok 3415
182: ok 3416
182: ok 3417
182: ok 3418
182: ok 3419
182: ok 3420
182: ok 3421
182: ok 3422
182: ok 3423
182: ok 3424
182: ok 3425
182: ok 3426
182: ok 3427
182: ok 3428
182: ok 3429
182: ok 3430
182: ok 3431
182: ok 3432
182: ok 3433
182: ok 3434
182: ok 3435
182: ok 3436
182: ok 3437
182: ok 3438
182: ok 3439
182: ok 3440
182: ok 3441
182: ok 3442
182: ok 3443
182: ok 3444
182: ok 3445
182: ok 3446
182: ok 3447
182: ok 3448
182: ok 3449
182: ok 3450
182: ok 3451
182: ok 3452
182: ok 3453
182: ok 3454
182: ok 3455
182: ok 3456
182: ok 3457
182: ok 3458
182: ok 3459
182: ok 3460
182: ok 3461
182: ok 3462
182: ok 3463
182: ok 3464
182: ok 3465
182: ok 3466
182: ok 3467
182: ok 3468
182: ok 3469
182: ok 3470
182: ok 3471
182: ok 3472
182: ok 3473
182: ok 3474
182: ok 3475
182: ok 3476
182: ok 3477
182: ok 3478
182: ok 3479
182: ok 3480
182: ok 3481
182: ok 3482
182: ok 3483
182: ok 3484
182: ok 3485
182: ok 3486
182: ok 3487
182: ok 3488
182: ok 3489
182: ok 3490
182: ok 3491
182: ok 3492
182: ok 3493
182: ok 3494
182: ok 3495
182: ok 3496
182: ok 3497
182: ok 3498
182: ok 3499
182: ok 3500
182: ok 3501
182: ok 3502
182: ok 3503
182: ok 3504
182: ok 3505
182: ok 3506
182: ok 3507
182: ok 3508
182: ok 3509
182: ok 3510
182: ok 3511
182: ok 3512
182: ok 3513
182: ok 3514
182: ok 3515
182: ok 3516
182: ok 3517
182: ok 3518
182: ok 3519
182: ok 3520
182: ok 3521
182: ok 3522
182: ok 3523
182: ok 3524
182: ok 3525
182: ok 3526
182: ok 3527
182: ok 3528
182: ok 3529
182: ok 3530
182: ok 3531
182: ok 3532
182: ok 3533
182: ok 3534
182: ok 3535
182: ok 3536
182: ok 3537
182: ok 3538
182: ok 3539
182: ok 3540
182: ok 3541
182: ok 3542
182: ok 3543
182: ok 3544
182: ok 3545
182: ok 3546
182: ok 3547
182: ok 3548
182: ok 3549
182: ok 3550
182: ok 3551
182: ok 3552
182: ok 3553
182: ok 3554
182: ok 3555
182: ok 3556
182: ok 3557
182: ok 3558
182: ok 3559
182: ok 3560
182: ok 3561
182: ok 3562
182: ok 3563
182: ok 3564
182: ok 3565
182: ok 3566
182: ok 3567
182: ok 3568
182: ok 3569
182: ok 3570
182: ok 3571
182: ok 3572
182: ok 3573
182: ok 3574
182: ok 3575
182: ok 3576
182: ok 3577
182: ok 3578
182: ok 3579
182: ok 3580
182: ok 3581
182: ok 3582
182: ok 3583
182: ok 3584
182: ok 3585
182: ok 3586
182: ok 3587
182: ok 3588
182: ok 3589
182: ok 3590
182: ok 3591
182: ok 3592
182: ok 3593
182: ok 3594
182: ok 3595
182: ok 3596
182: ok 3597
182: ok 3598
182: ok 3599
182: ok 3600
182: ok 3601
182: ok 3602
182: ok 3603
182: ok 3604
182: ok 3605
182: ok 3606
182: ok 3607
182: ok 3608
182: ok 3609
182: ok 3610
182: ok 3611
182: ok 3612
182: ok 3613
182: ok 3614
182: ok 3615
182: ok 3616
182: ok 3617
182: ok 3618
182: ok 3619
182: ok 3620
182: ok 3621
182: ok 3622
182: ok 3623
182: ok 3624
182: ok 3625
182: ok 3626
182: ok 3627
182: ok 3628
182: ok 3629
182: ok 3630
182: ok 3631
182: ok 3632
182: ok 3633
182: ok 3634
182: ok 3635
182: ok 3636
182: ok 3637
182: ok 3638
182: ok 3639
182: ok 3640
182: ok 3641
182: ok 3642
182: ok 3643
182: ok 3644
182: ok 3645
182: ok 3646
182: ok 3647
182: ok 3648
182: ok 3649
182: ok 3650
182: ok 3651
182: ok 3652
182: ok 3653
182: ok 3654
182: ok 3655
182: ok 3656
182: ok 3657
182: ok 3658
182: ok 3659
182: ok 3660
182: ok 3661
182: ok 3662
182: ok 3663
182: ok 3664
182: ok 3665
182: ok 3666
182: ok 3667
182: ok 3668
182: ok 3669
182: ok 3670
182: ok 3671
182: ok 3672
182: ok 3673
182: ok 3674
182: ok 3675
182: ok 3676
182: ok 3677
182: ok 3678
182: ok 3679
182: ok 3680
182: ok 3681
182: ok 3682
182: ok 3683
182: ok 3684
182: ok 3685
182: ok 3686
182: ok 3687
182: ok 3688
182: ok 3689
182: ok 3690
182: ok 3691
182: ok 3692
182: ok 3693
182: ok 3694
182: ok 3695
182: ok 3696
182: ok 3697
182: ok 3698
182: ok 3699
182: ok 3700
182: ok 3701
182: ok 3702
182: ok 3703
182: ok 3704
182: ok 3705
182: ok 3706
182: ok 3707
182: ok 3708
182: ok 3709
182: ok 3710
182: ok 3711
182: ok 3712
182: ok 3713
182: ok 3714
182: ok 3715
182: ok 3716
182: ok 3717
182: ok 3718
182: ok 3719
182: ok 3720
182: ok 3721
182: ok 3722
182: ok 3723
182: ok 3724
182: ok 3725
182: ok 3726
182: ok 3727
182: ok 3728
182: ok 3729
182: ok 3730
182: ok 3731
182: ok 3732
182: ok 3733
182: ok 3734
182: ok 3735
182: ok 3736
182: ok 3737
182: ok 3738
182: ok 3739
182: ok 3740
182: ok 3741
182: ok 3742
182: ok 3743
182: ok 3744
182: ok 3745
182: ok 3746
182: ok 3747
182: ok 3748
182: ok 3749
182: ok 3750
182: ok 3751
182: ok 3752
182: ok 3753
182: ok 3754
182: ok 3755
182: ok 3756
182: ok 3757
182: ok 3758
182: ok 3759
182: ok 3760
182: ok 3761
182: ok 3762
182: ok 3763
182: ok 3764
182: ok 3765
182: ok 3766
182: ok 3767
182: ok 3768
182: ok 3769
182: ok 3770
182: ok 3771
182: ok 3772
182: ok 3773
182: ok 3774
182: ok 3775
182: ok 3776
182: ok 3777
182: ok 3778
182: ok 3779
182: ok 3780
182: ok 3781
182: ok 3782
182: ok 3783
182: ok 3784
182: ok 3785
182: ok 3786
182: ok 3787
182: ok 3788
182: ok 3789
182: ok 3790
182: ok 3791
182: ok 3792
182: ok 3793
182: ok 3794
182: ok 3795
182: ok 3796
182: ok 3797
182: ok 3798
182: ok 3799
182: ok 3800
182: ok 3801
182: ok 3802
182: ok 3803
182: ok 3804
182: ok 3805
182: ok 3806
182: ok 3807
182: ok 3808
182: ok 3809
182: ok 3810
182: ok 3811
182: ok 3812
182: ok 3813
182: ok 3814
182: ok 3815
182: ok 3816
182: ok 3817
182: ok 3818
182: ok 3819
182: ok 3820
182: ok 3821
182: ok 3822
182: ok 3823
182: ok 3824
182: ok 3825
182: ok 3826
182: ok 3827
182: ok 3828
182: ok 3829
182: ok 3830
182: ok 3831
182: ok 3832
182: ok 3833
182: ok 3834
182: ok 3835
182: ok 3836
182: ok 3837
182: ok 3838
182: ok 3839
182: ok 3840
182: ok 3841
182: ok 3842
182: ok 3843
182: ok 3844
182: ok 3845
182: ok 3846
182: ok 3847
182: ok 3848
182: ok 3849
182: ok 3850
182: ok 3851
182: ok 3852
182: ok 3853
182: ok 3854
182: ok 3855
182: ok 3856
182: ok 3857
182: ok 3858
182: ok 3859
182: ok 3860
182: ok 3861
182: ok 3862
182: ok 3863
182: ok 3864
182: ok 3865
182: ok 3866
182: ok 3867
182: ok 3868
182: ok 3869
182: ok 3870
182: ok 3871
182: ok 3872
182: ok 3873
182: ok 3874
182: ok 3875
182: ok 3876
182: ok 3877
182: ok 3878
182: ok 3879
182: ok 3880
182: ok 3881
182: ok 3882
182: ok 3883
182: ok 3884
182: ok 3885
182: ok 3886
182: ok 3887
182: ok 3888
182: ok 3889
182: ok 3890
182: ok 3891
182: ok 3892
182: ok 3893
182: ok 3894
182: ok 3895
182: ok 3896
182: ok 3897
182: ok 3898
182: ok 3899
182: ok 3900
182: ok 3901
182: ok 3902
182: ok 3903
182: ok 3904
182: ok 3905
182: ok 3906
182: ok 3907
182: ok 3908
182: ok 3909
182: ok 3910
182: ok 3911
182: ok 3912
182: ok 3913
182: ok 3914
182: ok 3915
182: ok 3916
182: ok 3917
182: ok 3918
182: ok 3919
182: ok 3920
182: ok 3921
182: ok 3922
182: ok 3923
182: ok 3924
182: ok 3925
182: ok 3926
182: ok 3927
182: ok 3928
182: ok 3929
182: ok 3930
182: ok 3931
182: ok 3932
182: ok 3933
182: ok 3934
182: ok 3935
182: ok 3936
182: ok 3937
182: ok 3938
182: ok 3939
182: ok 3940
182: ok 3941
182: ok 3942
182: ok 3943
182: ok 3944
182: ok 3945
182: ok 3946
182: ok 3947
182: ok 3948
182: ok 3949
182: ok 3950
182: ok 3951
182: ok 3952
182: ok 3953
182: ok 3954
182: ok 3955
182: ok 3956
182: ok 3957
182: ok 3958
182: ok 3959
182: ok 3960
182: ok 3961
182: ok 3962
182: ok 3963
182: ok 3964
182: ok 3965
182: ok 3966
182: ok 3967
182: ok 3968
182: ok 3969
182: ok 3970
182: ok 3971
182: ok 3972
182: ok 3973
182: ok 3974
182: ok 3975
182: ok 3976
182: ok 3977
182: ok 3978
182: ok 3979
182: ok 3980
182: ok 3981
182: ok 3982
182: ok 3983
182: ok 3984
182: ok 3985
182: ok 3986
182: ok 3987
182: ok 3988
182: ok 3989
182: ok 3990
182: ok 3991
182: ok 3992
182: ok 3993
182: ok 3994
182: ok 3995
182: ok 3996
182: ok 3997
182: ok 3998
182: ok 3999
182: ok 4000
182: ok 4001
182: ok 4002
182: ok 4003
182: ok 4004
182: ok 4005
182: ok 4006
182: ok 4007
182: ok 4008
182: ok 4009
182: ok 4010
182: ok 4011
182: ok 4012
182: ok 4013
182: ok 4014
182: ok 4015
182: ok 4016
182: ok 4017
182: ok 4018
182: ok 4019
182: ok 4020
182: ok 4021
182: ok 4022
182: ok 4023
182: ok 4024
182: ok 4025
182: ok 4026
182: ok 4027
182: ok 4028
182: ok 4029
182: ok 4030
182: ok 4031
182: ok 4032
182: ok 4033
182: ok 4034
182: ok 4035
182: ok 4036
182: ok 4037
182: ok 4038
182: ok 4039
182: ok 4040
182: ok 4041
182: ok 4042
182: ok 4043
182: ok 4044
182: ok 4045
182: ok 4046
182: ok 4047
182: ok 4048
182: ok 4049
182: ok 4050
182: ok 4051
182: ok 4052
182: ok 4053
182: ok 4054
182: ok 4055
182: ok 4056
182: ok 4057
182: ok 4058
182: ok 4059
182: ok 4060
182: ok 4061
182: ok 4062
182: ok 4063
182: ok 4064
182: ok 4065
182: ok 4066
182: ok 4067
182: ok 4068
182: ok 4069
182: ok 4070
182: ok 4071
182: ok 4072
182: ok 4073
182: ok 4074
182: ok 4075
182: ok 4076
182: ok 4077
182: ok 4078
182: ok 4079
182: ok 4080
182: ok 4081
182: ok 4082
182: ok 4083
182: ok 4084
182: ok 4085
182: ok 4086
182: ok 4087
182: ok 4088
182: ok 4089
182: ok 4090
182: ok 4091
182: ok 4092
182: ok 4093
182: ok 4094
182: ok 4095
182: ok 4096
182: ok 4097
182: ok 4098
182: ok 4099
182: ok 4100
182: ok 4101
182: ok 4102
182: ok 4103
182: ok 4104
182: ok 4105
182: ok 4106
182: ok 4107
182: ok 4108
182: ok 4109
182: ok 4110
182: ok 4111
182: ok 4112
182: ok 4113
182: ok 4114
182: ok 4115
182: ok 4116
182: ok 4117
182: ok 4118
182: ok 4119
182: ok 4120
182: ok 4121
182: ok 4122
182: ok 4123
182: ok 4124
182: ok 4125
182: ok 4126
182: ok 4127
182: ok 4128
182: ok 4129
182: ok 4130
182: ok 4131
182: ok 4132
182: ok 4133
182: ok 4134
182: ok 4135
182: ok 4136
182: ok 4137
182: ok 4138
182: ok 4139
182: ok 4140
182: ok 4141
182: ok 4142
182: ok 4143
182: ok 4144
182: ok 4145
182: ok 4146
182: ok 4147
182: ok 4148
182: ok 4149
182: ok 4150
182: ok 4151
182: ok 4152
182: ok 4153
182: ok 4154
182: ok 4155
182: ok 4156
182: ok 4157
182: ok 4158
182: ok 4159
182: ok 4160
182: ok 4161
182: ok 4162
182: ok 4163
182: ok 4164
182: ok 4165
182: ok 4166
182: ok 4167
182: ok 4168
182: ok 4169
182: ok 4170
182: ok 4171
182: ok 4172
182: ok 4173
182: ok 4174
182: ok 4175
182: ok 4176
182: ok 4177
182: ok 4178
182: ok 4179
182: ok 4180
182: ok 4181
182: ok 4182
182: ok 4183
182: ok 4184
182: ok 4185
182: ok 4186
182: ok 4187
182: ok 4188
182: ok 4189
182: ok 4190
182: ok 4191
182: ok 4192
182: ok 4193
182: ok 4194
182: ok 4195
182: ok 4196
182: ok 4197
182: ok 4198
182: ok 4199
182: ok 4200
182: ok 4201
182: ok 4202
182: ok 4203
182: ok 4204
182: ok 4205
182: ok 4206
182: ok 4207
182: ok 4208
182: ok 4209
182: ok 4210
182: ok 4211
182: ok 4212
182: ok 4213
182: ok 4214
182: ok 4215
182: ok 4216
182: ok 4217
182: ok 4218
182: ok 4219
182: ok 4220
182: ok 4221
182: ok 4222
182: ok 4223
182: ok 4224
182: ok 4225
182: ok 4226
182: ok 4227
182: ok 4228
182: ok 4229
182: ok 4230
182: ok 4231
182: ok 4232
182: ok 4233
182: ok 4234
182: ok 4235
182: ok 4236
182: ok 4237
182: ok 4238
182: ok 4239
182: ok 4240
182: ok 4241
182: ok 4242
182: ok 4243
182: ok 4244
182: ok 4245
182: ok 4246
182: ok 4247
182: ok 4248
182: ok 4249
182: ok 4250
182: ok 4251
182: ok 4252
182: ok 4253
182: ok 4254
182: ok 4255
182: ok 4256
182: ok 4257
182: ok 4258
182: ok 4259
182: ok 4260
182: ok 4261
182: ok 4262
182: ok 4263
182: ok 4264
182: ok 4265
182: ok 4266
182: ok 4267
182: ok 4268
182: ok 4269
182: ok 4270
182: ok 4271
182: ok 4272
182: ok 4273
182: ok 4274
182: ok 4275
182: ok 4276
182: ok 4277
182: ok 4278
182: ok 4279
182: ok 4280
182: ok 4281
182: ok 4282
182: ok 4283
182: ok 4284
182: ok 4285
182: ok 4286
182: ok 4287
182: ok 4288
182: ok 4289
182: ok 4290
182: ok 4291
182: ok 4292
182: ok 4293
182: ok 4294
182: ok 4295
182: ok 4296
182: ok 4297
182: ok 4298
182: ok 4299
182: ok 4300
182: ok 4301
182: ok 4302
182: ok 4303
182: ok 4304
182: ok 4305
182: ok 4306
182: ok 4307
182: ok 4308
182: ok 4309
182: ok 4310
182: ok 4311
182: ok 4312
182: ok 4313
182: ok 4314
182: ok 4315
182: ok 4316
182: ok 4317
182: ok 4318
182: ok 4319
182: ok 4320
182: ok 4321
182: ok 4322
182: ok 4323
182: ok 4324
182: ok 4325
182: ok 4326
182: ok 4327
182: ok 4328
182: ok 4329
182: ok 4330
182: ok 4331
182: ok 4332
182: ok 4333
182: ok 4334
182: ok 4335
182: ok 4336
182: ok 4337
182: ok 4338
182: ok 4339
182: ok 4340
182: ok 4341
182: ok 4342
182: ok 4343
182: ok 4344
182: ok 4345
182: ok 4346
182: ok 4347
182: ok 4348
182: ok 4349
182: ok 4350
182: ok 4351
182: ok 4352
182: ok 4353
182: ok 4354
182: ok 4355
182: ok 4356
182: ok 4357
182: ok 4358
182: ok 4359
182: ok 4360
182: ok 4361
182: ok 4362
182: ok 4363
182: ok 4364
182: ok 4365
182: ok 4366
182: ok 4367
182: ok 4368
182: ok 4369
182: ok 4370
182: ok 4371
182: ok 4372
182: ok 4373
182: ok 4374
182: ok 4375
182: ok 4376
182: ok 4377
182: ok 4378
182: ok 4379
182: ok 4380
182: ok 4381
182: ok 4382
182: ok 4383
182: ok 4384
182: ok 4385
182: ok 4386
182: ok 4387
182: ok 4388
182: ok 4389
182: ok 4390
182: ok 4391
182: ok 4392
182: ok 4393
182: ok 4394
182: ok 4395
182: ok 4396
182: ok 4397
182: ok 4398
182: ok 4399
182: ok 4400
182: ok 4401
182: ok 4402
182: ok 4403
182: ok 4404
182: ok 4405
182: ok 4406
182: ok 4407
182: ok 4408
182: ok 4409
182: ok 4410
182: ok 4411
182: ok 4412
182: ok 4413
182: ok 4414
182: ok 4415
182: ok 4416
182: ok 4417
182: ok 4418
182: ok 4419
182: ok 4420
182: ok 4421
182: ok 4422
182: ok 4423
182: ok 4424
182: ok 4425
182: ok 4426
182: ok 4427
182: ok 4428
182: ok 4429
182: ok 4430
182: ok 4431
182: ok 4432
182: ok 4433
182: ok 4434
182: ok 4435
182: ok 4436
182: ok 4437
182: ok 4438
182: ok 4439
182: ok 4440
182: ok 4441
182: ok 4442
182: ok 4443
182: ok 4444
182: ok 4445
182: ok 4446
182: ok 4447
182: ok 4448
182: ok 4449
182: ok 4450
182: ok 4451
182: ok 4452
182: ok 4453
182: ok 4454
182: ok 4455
182: ok 4456
182: ok 4457
182: ok 4458
182: ok 4459
182: ok 4460
182: ok 4461
182: ok 4462
182: ok 4463
182: ok 4464
182: ok 4465
182: ok 4466
182: ok 4467
182: ok 4468
182: ok 4469
182: ok 4470
182: ok 4471
182: ok 4472
182: ok 4473
182: ok 4474
182: ok 4475
182: ok 4476
182: ok 4477
182: ok 4478
182: ok 4479
182: ok 4480
182: ok 4481
182: ok 4482
182: ok 4483
182: ok 4484
182: ok 4485
182: ok 4486
182: ok 4487
182: ok 4488
182: ok 4489
182: ok 4490
182: ok 4491
182: ok 4492
182: ok 4493
182: ok 4494
182: ok 4495
182: ok 4496
182: ok 4497
182: ok 4498
182: ok 4499
182: ok 4500
182: ok 4501
182: ok 4502
182: ok 4503
182: ok 4504
182: ok 4505
182: ok 4506
182: ok 4507
182: ok 4508
182: ok 4509
182: ok 4510
182: ok 4511
182: ok 4512
182: ok 4513
182: ok 4514
182: ok 4515
182: ok 4516
182: ok 4517
182: ok 4518
182: ok 4519
182: ok 4520
182: ok 4521
182: ok 4522
182: ok 4523
182: ok 4524
182: ok 4525
182: ok 4526
182: ok 4527
182: ok 4528
182: ok 4529
182: ok 4530
182: ok 4531
182: ok 4532
182: ok 4533
182: ok 4534
182: ok 4535
182: ok 4536
182: ok 4537
182: ok 4538
182: ok 4539
182: ok 4540
182: ok 4541
182: ok 4542
182: ok 4543
182: ok 4544
182: ok 4545
182: ok 4546
182: ok 4547
182: ok 4548
182: ok 4549
182: ok 4550
182: ok 4551
182: ok 4552
182: ok 4553
182: ok 4554
182: ok 4555
182: ok 4556
182: ok 4557
182: ok 4558
182: ok 4559
182: ok 4560
182: ok 4561
182: ok 4562
182: ok 4563
182: ok 4564
182: ok 4565
182: ok 4566
182: ok 4567
182: ok 4568
182: ok 4569
182: ok 4570
182: ok 4571
182: ok 4572
182: ok 4573
182: ok 4574
182: ok 4575
182: ok 4576
182: ok 4577
182: ok 4578
182: ok 4579
182: ok 4580
182: ok 4581
182: ok 4582
182: ok 4583
182: ok 4584
182: ok 4585
182: ok 4586
182: ok 4587
182: ok 4588
182: ok 4589
182: ok 4590
182: ok 4591
182: ok 4592
182: ok 4593
182: ok 4594
182: ok 4595
182: ok 4596
182: ok 4597
182: ok 4598
182: ok 4599
182: ok 4600
182: ok 4601
182: ok 4602
182: ok 4603
182: ok 4604
182: ok 4605
182: ok 4606
182: ok 4607
182: ok 4608
182: ok 4609
182: ok 4610
182: ok 4611
182: ok 4612
182: ok 4613
182: ok 4614
182: ok 4615
182: ok 4616
182: ok 4617
182: ok 4618
182: ok 4619
182: ok 4620
182: ok 4621
182: ok 4622
182: ok 4623
182: ok 4624
182: ok 4625
182: ok 4626
182: ok 4627
182: ok 4628
182: ok 4629
182: ok 4630
182: ok 4631
182: ok 4632
182: ok 4633
182: ok 4634
182: ok 4635
182: ok 4636
182: ok 4637
182: ok 4638
182: ok 4639
182: ok 4640
182: ok 4641
182: ok 4642
182: ok 4643
182: ok 4644
182: ok 4645
182: ok 4646
182: ok 4647
182: ok 4648
182: ok 4649
182: ok 4650
182: ok 4651
182: ok 4652
182: ok 4653
182: ok 4654
182: ok 4655
182: ok 4656
182: ok 4657
182: ok 4658
182: ok 4659
182: ok 4660
182: ok 4661
182: ok 4662
182: ok 4663
182: ok 4664
182: ok 4665
182: ok 4666
182: ok 4667
182: ok 4668
182: ok 4669
182: ok 4670
182: ok 4671
182: ok 4672
182: ok 4673
182: ok 4674
182: ok 4675
182: ok 4676
182: ok 4677
182: ok 4678
182: ok 4679
182: ok 4680
182: ok 4681
182: ok 4682
182: ok 4683
182: ok 4684
182: ok 4685
182: ok 4686
182: ok 4687
182: ok 4688
182: ok 4689
182: ok 4690
182: ok 4691
182: ok 4692
182: ok 4693
182: ok 4694
182: ok 4695
182: ok 4696
182: ok 4697
182: ok 4698
182: ok 4699
182: ok 4700
182: ok 4701
182: ok 4702
182: ok 4703
182: ok 4704
182: ok 4705
182: ok 4706
182: ok 4707
182: ok 4708
182: ok 4709
182: ok 4710
182: ok 4711
182: ok 4712
182: ok 4713
182: ok 4714
182: ok 4715
182: ok 4716
182: ok 4717
182: ok 4718
182: ok 4719
182: ok 4720
182: ok 4721
182: ok 4722
182: ok 4723
182: ok 4724
182: ok 4725
182: ok 4726
182: ok 4727
182: ok 4728
182: ok 4729
182: ok 4730
182: ok 4731
182: ok 4732
182: ok 4733
182: ok 4734
182: ok 4735
182: ok 4736
182: ok 4737
182: ok 4738
182: ok 4739
182: ok 4740
182: ok 4741
182: ok 4742
182: ok 4743
182: ok 4744
182: ok 4745
182: ok 4746
182: ok 4747
182: ok 4748
182: ok 4749
182: ok 4750
182: ok 4751
182: ok 4752
182: ok 4753
182: ok 4754
182: ok 4755
182: ok 4756
182: ok 4757
182: ok 4758
182: ok 4759
182: ok 4760
182: ok 4761
182: ok 4762
182: ok 4763
182: ok 4764
182: ok 4765
182: ok 4766
182: ok 4767
182: ok 4768
182: ok 4769
182: ok 4770
182: ok 4771
182: ok 4772
182: ok 4773
182: ok 4774
182: ok 4775
182: ok 4776
182: ok 4777
182: ok 4778
182: ok 4779
182: ok 4780
182: ok 4781
182: ok 4782
182: ok 4783
182: ok 4784
182: ok 4785
182: ok 4786
182: ok 4787
182: ok 4788
182: ok 4789
182: ok 4790
182: ok 4791
182: ok 4792
182: ok 4793
182: ok 4794
182: ok 4795
182: ok 4796
182: ok 4797
182: ok 4798
182: ok 4799
182: ok 4800
182: ok 4801
182: ok 4802
182: ok 4803
182: ok 4804
182: ok 4805
182: ok 4806
182: ok 4807
182: ok 4808
182: ok 4809
182: ok 4810
182: ok 4811
182: ok 4812
182: ok 4813
182: ok 4814
182: ok 4815
182: ok 4816
182: ok 4817
182: ok 4818
182: ok 4819
182: ok 4820
182: ok 4821
182: ok 4822
182: ok 4823
182: ok 4824
182: ok 4825
182: ok 4826
182: ok 4827
182: ok 4828
182: ok 4829
182: ok 4830
182: ok 4831
182: ok 4832
182: ok 4833
182: ok 4834
182: ok 4835
182: ok 4836
182: ok 4837
182: ok 4838
182: ok 4839
182: ok 4840
182: ok 4841
182: ok 4842
182: ok 4843
182: ok 4844
182: ok 4845
182: ok 4846
182: ok 4847
182: ok 4848
182: ok 4849
182: ok 4850
182: ok 4851
182: ok 4852
182: ok 4853
182: ok 4854
182: ok 4855
182: ok 4856
182: ok 4857
182: ok 4858
182: ok 4859
182: ok 4860
182: ok 4861
182: ok 4862
182: ok 4863
182: ok 4864
182: ok 4865
182: ok 4866
182: ok 4867
182: ok 4868
182: ok 4869
182: ok 4870
182: ok 4871
182: ok 4872
182: ok 4873
182: ok 4874
182: ok 4875
182: ok 4876
182: ok 4877
182: ok 4878
182: ok 4879
182: ok 4880
182: ok 4881
182: ok 4882
182: ok 4883
182: ok 4884
182: ok 4885
182: ok 4886
182: ok 4887
182: ok 4888
182: ok 4889
182: ok 4890
182: ok 4891
182: ok 4892
182: ok 4893
182: ok 4894
182: ok 4895
182: ok 4896
182: ok 4897
182: ok 4898
182: ok 4899
182: ok 4900
182: ok 4901
182: ok 4902
182: ok 4903
182: ok 4904
182: ok 4905
182: ok 4906
182: ok 4907
182: ok 4908
182: ok 4909
182: ok 4910
182: ok 4911
182: ok 4912
182: ok 4913
182: ok 4914
182: ok 4915
182: ok 4916
182: ok 4917
182: ok 4918
182: ok 4919
182: ok 4920
182: ok 4921
182: ok 4922
182: ok 4923
182: ok 4924
182: ok 4925
182: ok 4926
182: ok 4927
182: ok 4928
182: ok 4929
182: ok 4930
182: ok 4931
182: ok 4932
182: ok 4933
182: ok 4934
182: ok 4935
182: ok 4936
182: ok 4937
182: ok 4938
182: ok 4939
182: ok 4940
182: ok 4941
182: ok 4942
182: ok 4943
182: ok 4944
182: ok 4945
182: ok 4946
182: ok 4947
182: ok 4948
182: ok 4949
182: ok 4950
182: ok 4951
182: ok 4952
182: ok 4953
182: ok 4954
182: ok 4955
182: ok 4956
182: ok 4957
182: ok 4958
182: ok 4959
182: ok 4960
182: ok 4961
182: ok 4962
182: ok 4963
182: ok 4964
182: ok 4965
182: ok 4966
182: ok 4967
182: ok 4968
182: ok 4969
182: ok 4970
182: ok 4971
182: ok 4972
182: ok 4973
182: ok 4974
182: ok 4975
182: ok 4976
182: ok 4977
182: ok 4978
182: ok 4979
182: ok 4980
182: ok 4981
182: ok 4982
182: ok 4983
182: ok 4984
182: ok 4985
182: ok 4986
182: ok 4987
182: ok 4988
182: ok 4989
182: ok 4990
182: ok 4991
182: ok 4992
182: ok 4993
182: ok 4994
182: ok 4995
182: ok 4996
182: ok 4997
182: ok 4998
182: ok 4999
182: ok 5000
182: ok 5001
182: ok 5002
182: ok 5003
182: ok 5004
182: ok 5005
182: ok 5006
182: ok 5007
182: ok 5008
182: ok 5009
182: ok 5010
182: ok 5011
182: ok 5012
182: ok 5013
182: ok 5014
182: ok 5015
182: ok 5016
182: ok 5017
182: ok 5018
182: ok 5019
182: ok 5020
182: ok 5021
182: ok 5022
182: ok 5023
182: ok 5024
182: ok 5025
182: ok 5026
182: ok 5027
182: ok 5028
182: ok 5029
182: ok 5030
182: ok 5031
182: ok 5032
182: ok 5033
182: ok 5034
182: ok 5035
182: ok 5036
182: ok 5037
182: ok 5038
182: ok 5039
182: ok 5040
182: ok 5041
182: ok 5042
182: ok 5043
182: ok 5044
182: ok 5045
182: ok 5046
182: ok 5047
182: ok 5048
182: ok 5049
182: ok 5050
182: ok 5051
182: ok 5052
182: ok 5053
182: ok 5054
182: ok 5055
182: ok 5056
182: ok 5057
182: ok 5058
182: ok 5059
182: ok 5060
182: ok 5061
182: ok 5062
182: ok 5063
182: ok 5064
182: ok 5065
182: ok 5066
182: ok 5067
182: ok 5068
182: ok 5069
182: ok 5070
182: ok 5071
182: ok 5072
182: ok 5073
182: ok 5074
182: ok 5075
182: ok 5076
182: ok 5077
182: ok 5078
182: ok 5079
182: ok 5080
182: ok 5081
182: ok 5082
182: ok 5083
182: ok 5084
182: ok 5085
182: ok 5086
182: ok 5087
182: ok 5088
182: ok 5089
182: ok 5090
182: ok 5091
182: ok 5092
182: ok 5093
182: ok 5094
182: ok 5095
182: ok 5096
182: ok 5097
182: ok 5098
182: ok 5099
182: ok 5100
182: ok 5101
182: ok 5102
182: ok 5103
182: ok 5104
182: ok 5105
182: ok 5106
182: ok 5107
182: ok 5108
182: ok 5109
182: ok 5110
182: ok 5111
182: ok 5112
182: ok 5113
182: ok 5114
182: ok 5115
182: ok 5116
182: ok 5117
182: ok 5118
182: ok 5119
182: ok 5120
182: ok 5121
182: ok 5122
182: ok 5123
182: ok 5124
182: ok 5125
182: ok 5126
182: ok 5127
182: ok 5128
182: ok 5129
182: ok 5130
182: ok 5131
182: ok 5132
182: ok 5133
182: ok 5134
182: ok 5135
182: ok 5136
182: ok 5137
182: ok 5138
182: ok 5139
182: ok 5140
182: ok 5141
182: ok 5142
182: ok 5143
182: ok 5144
182: ok 5145
182: ok 5146
182: ok 5147
182: ok 5148
182: ok 5149
182: ok 5150
182: ok 5151
182: ok 5152
182: ok 5153
182: ok 5154
182: ok 5155
182: ok 5156
182: ok 5157
182: ok 5158
182: ok 5159
182: ok 5160
182: ok 5161
182: ok 5162
182: ok 5163
182: ok 5164
182: ok 5165
182: ok 5166
182: ok 5167
182: ok 5168
182: ok 5169
182: ok 5170
182: ok 5171
182: ok 5172
182: ok 5173
182: ok 5174
182: ok 5175
182: ok 5176
182: ok 5177
182: ok 5178
182: ok 5179
182: ok 5180
182: ok 5181
182: ok 5182
182: ok 5183
182: ok 5184
182: ok 5185
182: ok 5186
182: ok 5187
182: ok 5188
182: ok 5189
182: ok 5190
182: ok 5191
182: ok 5192
182: ok 5193
182: ok 5194
182: ok 5195
182: ok 5196
182: ok 5197
182: ok 5198
182: ok 5199
182: ok 5200
182: ok 5201
182: ok 5202
182: ok 5203
182: ok 5204
182: ok 5205
182: ok 5206
182: ok 5207
182: ok 5208
182: ok 5209
182: ok 5210
182: ok 5211
182: ok 5212
182: ok 5213
182: ok 5214
182: ok 5215
182: ok 5216
182: ok 5217
182: ok 5218
182: ok 5219
182: ok 5220
182: ok 5221
182: ok 5222
182: ok 5223
182: ok 5224
182: ok 5225
182: ok 5226
182: ok 5227
182: ok 5228
182: ok 5229
182: ok 5230
182: ok 5231
182: ok 5232
182: ok 5233
182: ok 5234
182: ok 5235
182: ok 5236
182: ok 5237
182: ok 5238
182: ok 5239
182: ok 5240
182: ok 5241
182: ok 5242
182: ok 5243
182: ok 5244
182: ok 5245
182: ok 5246
182: ok 5247
182: ok 5248
182: ok 5249
182: ok 5250
182: ok 5251
182: ok 5252
182: ok 5253
182: ok 5254
182: ok 5255
182: ok 5256
182: ok 5257
182: ok 5258
182: ok 5259
182: ok 5260
182: ok 5261
182: ok 5262
182: ok 5263
182: ok 5264
182: ok 5265
182: ok 5266
182: ok 5267
182: ok 5268
182: ok 5269
182: ok 5270
182: ok 5271
182: ok 5272
182: ok 5273
182: ok 5274
182: ok 5275
182: ok 5276
182: ok 5277
182: ok 5278
182: ok 5279
182: ok 5280
182: ok 5281
182: ok 5282
182: ok 5283
182: ok 5284
182: ok 5285
182: ok 5286
182: ok 5287
182: ok 5288
182: ok 5289
182: ok 5290
182: ok 5291
182: ok 5292
182: ok 5293
182: ok 5294
182: ok 5295
182: ok 5296
182: ok 5297
182: ok 5298
182: ok 5299
182: ok 5300
182: ok 5301
182: ok 5302
182: ok 5303
182: ok 5304
182: ok 5305
182: ok 5306
182: ok 5307
182: ok 5308
182: ok 5309
182: ok 5310
182: ok 5311
182: ok 5312
182: ok 5313
182: ok 5314
182: ok 5315
182: ok 5316
182: ok 5317
182: ok 5318
182: ok 5319
182: ok 5320
182: ok 5321
182: ok 5322
182: ok 5323
182: ok 5324
182: ok 5325
182: ok 5326
182: ok 5327
182: ok 5328
182: ok 5329
182: ok 5330
182: ok 5331
182: ok 5332
182: ok 5333
182: ok 5334
182: ok 5335
182: ok 5336
182: ok 5337
182: ok 5338
182: ok 5339
182: ok 5340
182: ok 5341
182: ok 5342
182: ok 5343
182: ok 5344
182: ok 5345
182: ok 5346
182: ok 5347
182: ok 5348
182: ok 5349
182: ok 5350
182: ok 5351
182: ok 5352
182: ok 5353
182: ok 5354
182: ok 5355
182: ok 5356
182: ok 5357
182: ok 5358
182: ok 5359
182: ok 5360
182: ok 5361
182: ok 5362
182: ok 5363
182: ok 5364
182: ok 5365
182: ok 5366
182: ok 5367
182: ok 5368
182: ok 5369
182: ok 5370
182: ok 5371
182: ok 5372
182: ok 5373
182: ok 5374
182: ok 5375
182: ok 5376
182: ok 5377
182: ok 5378
182: ok 5379
182: ok 5380
182: ok 5381
182: ok 5382
182: ok 5383
182: ok 5384
182: ok 5385
182: ok 5386
182: ok 5387
182: ok 5388
182: ok 5389
182: ok 5390
182: ok 5391
182: ok 5392
182: ok 5393
182: ok 5394
182: ok 5395
182: ok 5396
182: ok 5397
182: ok 5398
182: ok 5399
182: ok 5400
182: ok 5401
182: ok 5402
182: ok 5403
182: ok 5404
182: ok 5405
182: ok 5406
182: ok 5407
182: ok 5408
182: ok 5409
182: ok 5410
182: ok 5411
182: ok 5412
182: ok 5413
182: ok 5414
182: ok 5415
182: ok 5416
182: ok 5417
182: ok 5418
182: ok 5419
182: ok 5420
182: ok 5421
182: ok 5422
182: ok 5423
182: ok 5424
182: ok 5425
182: ok 5426
182: ok 5427
182: ok 5428
182: ok 5429
182: ok 5430
182: ok 5431
182: ok 5432
182: ok 5433
182: ok 5434
182: ok 5435
182: ok 5436
182: ok 5437
182: ok 5438
182: ok 5439
182: ok 5440
182: ok 5441
182: ok 5442
182: ok 5443
182: ok 5444
182: ok 5445
182: ok 5446
182: ok 5447
182: ok 5448
182: ok 5449
182: ok 5450
182: ok 5451
182: ok 5452
182: ok 5453
182: ok 5454
182: ok 5455
182: ok 5456
182: ok 5457
182: ok 5458
182: ok 5459
182: ok 5460
182: ok 5461
182: ok 5462
182: ok 5463
182: ok 5464
182: ok 5465
182: ok 5466
182: ok 5467
182: ok 5468
182: ok 5469
182: ok 5470
182: ok 5471
182: ok 5472
182: ok 5473
182: ok 5474
182: ok 5475
182: ok 5476
182: ok 5477
182: ok 5478
182: ok 5479
182: ok 5480
182: ok 5481
182: ok 5482
182: ok 5483
182: ok 5484
182: ok 5485
182: ok 5486
182: ok 5487
182: ok 5488
182: ok 5489
182: ok 5490
182: ok 5491
182: ok 5492
182: ok 5493
182: ok 5494
182: ok 5495
182: ok 5496
182: ok 5497
182: ok 5498
182: ok 5499
182: ok 5500
182: ok 5501
182: ok 5502
182: ok 5503
182: ok 5504
182: ok 5505
182: ok 5506
182: ok 5507
182: ok 5508
182: ok 5509
182: ok 5510
182: ok 5511
182: ok 5512
182: ok 5513
182: ok 5514
182: ok 5515
182: ok 5516
182: ok 5517
182: ok 5518
182: ok 5519
182: ok 5520
182: ok 5521
182: ok 5522
182: ok 5523
182: ok 5524
182: ok 5525
182: ok 5526
182: ok 5527
182: ok 5528
182: ok 5529
182: ok 5530
182: ok 5531
182: ok 5532
182: ok 5533
182: ok 5534
182: ok 5535
182: ok 5536
182: ok 5537
182: ok 5538
182: ok 5539
182: ok 5540
182: ok 5541
182: ok 5542
182: ok 5543
182: ok 5544
182: ok 5545
182: ok 5546
182: ok 5547
182: ok 5548
182: ok 5549
182: ok 5550
182: ok 5551
182: ok 5552
182: ok 5553
182: ok 5554
182: ok 5555
182: ok 5556
182: ok 5557
182: ok 5558
182: ok 5559
182: ok 5560
182: ok 5561
182: ok 5562
182: ok 5563
182: ok 5564
182: ok 5565
182: ok 5566
182: ok 5567
182: ok 5568
182: ok 5569
182: ok 5570
182: ok 5571
182: ok 5572
182: ok 5573
182: ok 5574
182: ok 5575
182: ok 5576
182: ok 5577
182: ok 5578
182: ok 5579
182: ok 5580
182: ok 5581
182: ok 5582
182: ok 5583
182: ok 5584
182: ok 5585
182: ok 5586
182: ok 5587
182: ok 5588
182: ok 5589
182: ok 5590
182: ok 5591
182: ok 5592
182: ok 5593
182: ok 5594
182: ok 5595
182: ok 5596
182: ok 5597
182: ok 5598
182: ok 5599
182: ok 5600
182: ok 5601
182: ok 5602
182: ok 5603
182: ok 5604
182: ok 5605
182: ok 5606
182: ok 5607
182: ok 5608
182: ok 5609
182: ok 5610
182: ok 5611
182: ok 5612
182: ok 5613
182: ok 5614
182: ok 5615
182: ok 5616
182: ok 5617
182: ok 5618
182: ok 5619
182: ok 5620
182: ok 5621
182: ok 5622
182: ok 5623
182: ok 5624
182: ok 5625
182: ok 5626
182: ok 5627
182: ok 5628
182: ok 5629
182: ok 5630
182: ok 5631
182: ok 5632
182: ok 5633
182: ok 5634
182: ok 5635
182: ok 5636
182: ok 5637
182: ok 5638
182: ok 5639
182: ok 5640
182: ok 5641
182: ok 5642
182: ok 5643
182: ok 5644
182: ok 5645
182: ok 5646
182: ok 5647
182: ok 5648
182: ok 5649
182: ok 5650
182: ok 5651
182: ok 5652
182: ok 5653
182: ok 5654
182: ok 5655
182: ok 5656
182: ok 5657
182: ok 5658
182: ok 5659
182: ok 5660
182: ok 5661
182: ok 5662
182: ok 5663
182: ok 5664
182: ok 5665
182: ok 5666
182: ok 5667
182: ok 5668
182: ok 5669
182: ok 5670
182: ok 5671
182: ok 5672
182: ok 5673
182: ok 5674
182: ok 5675
182: ok 5676
182: ok 5677
182: ok 5678
182: ok 5679
182: ok 5680
182: ok 5681
182: ok 5682
182: ok 5683
182: ok 5684
182: ok 5685
182: ok 5686
182: ok 5687
182: ok 5688
182: ok 5689
182: ok 5690
182: ok 5691
182: ok 5692
182: ok 5693
182: ok 5694
182: ok 5695
182: ok 5696
182: ok 5697
182: ok 5698
182: ok 5699
182: ok 5700
182: ok 5701
182: ok 5702
182: ok 5703
182: ok 5704
182: ok 5705
182: ok 5706
182: ok 5707
182: ok 5708
182: ok 5709
182: ok 5710
182: ok 5711
182: ok 5712
182: ok 5713
182: ok 5714
182: ok 5715
182: ok 5716
182: ok 5717
182: ok 5718
182: ok 5719
182: ok 5720
182: ok 5721
182: ok 5722
182: ok 5723
182: ok 5724
182: ok 5725
182: ok 5726
182: ok 5727
182: ok 5728
182: ok 5729
182: ok 5730
182: ok 5731
182: ok 5732
182: ok 5733
182: ok 5734
182: ok 5735
182: ok 5736
182: ok 5737
182: ok 5738
182: ok 5739
182: ok 5740
182: ok 5741
182: ok 5742
182: ok 5743
182: ok 5744
182: ok 5745
182: ok 5746
182: ok 5747
182: ok 5748
182: ok 5749
182: ok 5750
182: ok 5751
182: ok 5752
182: ok 5753
182: ok 5754
182: ok 5755
182: ok 5756
182: ok 5757
182: ok 5758
182: ok 5759
182: ok 5760
182: ok 5761
182: ok 5762
182: ok 5763
182: ok 5764
182: ok 5765
182: ok 5766
182: ok 5767
182: ok 5768
182: ok 5769
182: ok 5770
182: ok 5771
182: ok 5772
182: ok 5773
182: ok 5774
182: ok 5775
182: ok 5776
182: ok 5777
182: ok 5778
182: ok 5779
182: ok 5780
182: ok 5781
182: ok 5782
182: ok 5783
182: ok 5784
182: ok 5785
182: ok 5786
182: ok 5787
182: ok 5788
182: ok 5789
182: ok 5790
182: ok 5791
182: ok 5792
182: ok 5793
182: ok 5794
182: ok 5795
182: ok 5796
182: ok 5797
182: ok 5798
182: ok 5799
182: ok 5800
182: ok 5801
182: ok 5802
182: ok 5803
182: ok 5804
182: ok 5805
182: ok 5806
182: ok 5807
182: ok 5808
182: ok 5809
182: ok 5810
182: ok 5811
182: ok 5812
182: ok 5813
182: ok 5814
182: ok 5815
182: ok 5816
182: ok 5817
182: ok 5818
182: ok 5819
182: ok 5820
182: ok 5821
182: ok 5822
182: ok 5823
182: ok 5824
182: ok 5825
182: ok 5826
182: ok 5827
182: ok 5828
182: ok 5829
182: ok 5830
182: ok 5831
182: ok 5832
182: ok 5833
182: ok 5834
182: ok 5835
182: ok 5836
182: ok 5837
182: ok 5838
182: ok 5839
182: ok 5840
182: ok 5841
182: ok 5842
182: ok 5843
182: ok 5844
182: ok 5845
182: ok 5846
182: ok 5847
182: ok 5848
182: ok 5849
182: ok 5850
182: ok 5851
182: ok 5852
182: ok 5853
182: ok 5854
182: ok 5855
182: ok 5856
182: ok 5857
182: ok 5858
182: ok 5859
182: ok 5860
182: ok 5861
182: ok 5862
182: ok 5863
182: ok 5864
182: ok 5865
182: ok 5866
182: ok 5867
182: ok 5868
182: ok 5869
182: ok 5870
182: ok 5871
182: ok 5872
182: ok 5873
182: ok 5874
182: ok 5875
182: ok 5876
182: ok 5877
182: ok 5878
182: ok 5879
182: ok 5880
182: ok 5881
182: ok 5882
182: ok 5883
182: ok 5884
182: ok 5885
182: ok 5886
182: ok 5887
182: ok 5888
182: ok 5889
182: ok 5890
182: ok 5891
182: ok 5892
182: ok 5893
182: ok 5894
182: ok 5895
182: ok 5896
182: ok 5897
182: ok 5898
182: ok 5899
182: ok 5900
182: ok 5901
182: ok 5902
182: ok 5903
182: ok 5904
182: ok 5905
182: ok 5906
182: ok 5907
182: ok 5908
182: ok 5909
182: ok 5910
182: ok 5911
182: ok 5912
182: ok 5913
182: ok 5914
182: ok 5915
182: ok 5916
182: ok 5917
182: ok 5918
182: ok 5919
182: ok 5920
182: ok 5921
182: ok 5922
182: ok 5923
182: ok 5924
182: ok 5925
182: ok 5926
182: ok 5927
182: ok 5928
182: ok 5929
182: ok 5930
182: ok 5931
182: ok 5932
182: ok 5933
182: ok 5934
182: ok 5935
182: ok 5936
182: ok 5937
182: ok 5938
182: ok 5939
182: ok 5940
182: ok 5941
182: ok 5942
182: ok 5943
182: ok 5944
182: ok 5945
182: ok 5946
182: ok 5947
182: ok 5948
182: ok 5949
182: ok 5950
182: ok 5951
182: ok 5952
182: ok 5953
182: ok 5954
182: ok 5955
182: ok 5956
182: ok 5957
182: ok 5958
182: ok 5959
182: ok 5960
182: ok 5961
182: ok 5962
182: ok 5963
182: ok 5964
182: ok 5965
182: ok 5966
182: ok 5967
182: ok 5968
182: ok 5969
182: ok 5970
182: ok 5971
182: ok 5972
182: ok 5973
182: ok 5974
182: ok 5975
182: ok 5976
182: ok 5977
182: ok 5978
182: ok 5979
182: ok 5980
182: ok 5981
182: ok 5982
182: ok 5983
182: ok 5984
182: ok 5985
182: ok 5986
182: ok 5987
182: ok 5988
182: ok 5989
182: ok 5990
182: ok 5991
182: ok 5992
182: ok 5993
182: ok 5994
182: ok 5995
182: ok 5996
182: ok 5997
182: ok 5998
182: ok 5999
182: ok 6000
182: ok 6001
182: ok 6002
182: ok 6003
182: ok 6004
182: ok 6005
182: ok 6006
182: ok 6007
182: ok 6008
182: ok 6009
182: ok 6010
182: ok 6011
182: ok 6012
182: ok 6013
182: ok 6014
182: ok 6015
182: ok 6016
182: ok 6017
182: ok 6018
182: ok 6019
182: ok 6020
182: ok 6021
182: ok 6022
182: ok 6023
182: ok 6024
182: ok 6025
182: ok 6026
182: ok 6027
182: ok 6028
182: ok 6029
182: ok 6030
182: ok 6031
182: ok 6032
182: ok 6033
182: ok 6034
182: ok 6035
182: ok 6036
182: ok 6037
182: ok 6038
182: ok 6039
182: ok 6040
182: ok 6041
182: ok 6042
182: ok 6043
182: ok 6044
182: ok 6045
182: ok 6046
182: ok 6047
182: ok 6048
182: ok 6049
182: ok 6050
182: ok 6051
182: ok 6052
182: ok 6053
182: ok 6054
182: ok 6055
182: ok 6056
182: ok 6057
182: ok 6058
182: ok 6059
182: ok 6060
182: ok 6061
182: ok 6062
182: ok 6063
182: ok 6064
182: ok 6065
182: ok 6066
182: ok 6067
182: ok 6068
182: ok 6069
182: ok 6070
182: ok 6071
182: ok 6072
182: ok 6073
182: ok 6074
182: ok 6075
182: ok 6076
182: ok 6077
182: ok 6078
182: ok 6079
182: ok 6080
182: ok 6081
182: ok 6082
182: ok 6083
182: ok 6084
182: ok 6085
182: ok 6086
182: ok 6087
182: ok 6088
182: ok 6089
182: ok 6090
182: ok 6091
182: ok 6092
182: ok 6093
182: ok 6094
182: ok 6095
182: ok 6096
182: ok 6097
182: ok 6098
182: ok 6099
182: ok 6100
182: ok 6101
182: ok 6102
182: ok 6103
182: ok 6104
182: ok 6105
182: ok 6106
182: ok 6107
182: ok 6108
182: ok 6109
182: ok 6110
182: ok 6111
182: ok 6112
182: ok 6113
182: ok 6114
182: ok 6115
182: ok 6116
182: ok 6117
182: ok 6118
182: ok 6119
182: ok 6120
182: ok 6121
182: ok 6122
182: ok 6123
182: ok 6124
182: ok 6125
182: ok 6126
182: ok 6127
182: ok 6128
182: ok 6129
182: ok 6130
182: ok 6131
182: ok 6132
182: ok 6133
182: ok 6134
182: ok 6135
182: ok 6136
182: ok 6137
182: ok 6138
182: ok 6139
182: ok 6140
182: ok 6141
182: ok 6142
182: ok 6143
182: ok 6144
182: ok 6145
182: ok 6146
182: ok 6147
182: ok 6148
182: ok 6149
182: ok 6150
182: ok 6151
182: ok 6152
182: ok 6153
182: ok 6154
182: ok 6155
182: ok 6156
182: ok 6157
182: ok 6158
182: ok 6159
182: ok 6160
182: ok 6161
182: ok 6162
182: ok 6163
182: ok 6164
182: ok 6165
182: ok 6166
182: ok 6167
182: ok 6168
182: ok 6169
182: ok 6170
182: ok 6171
182: ok 6172
182: ok 6173
182: ok 6174
182: ok 6175
182: ok 6176
182: ok 6177
182: ok 6178
182: ok 6179
182: ok 6180
182: ok 6181
182: ok 6182
182: ok 6183
182: ok 6184
182: ok 6185
182: ok 6186
182: ok 6187
182: ok 6188
182: ok 6189
182: ok 6190
182: ok 6191
182: ok 6192
182: ok 6193
182: ok 6194
182: ok 6195
182: ok 6196
182: ok 6197
182: ok 6198
182: ok 6199
182: ok 6200
182: ok 6201
182: ok 6202
182: ok 6203
182: ok 6204
182: ok 6205
182: ok 6206
182: ok 6207
182: ok 6208
182: ok 6209
182: ok 6210
182: ok 6211
182: ok 6212
182: ok 6213
182: ok 6214
182: ok 6215
182: ok 6216
182: ok 6217
182: ok 6218
182: ok 6219
182: ok 6220
182: ok 6221
182: ok 6222
182: ok 6223
182: ok 6224
182: ok 6225
182: ok 6226
182: ok 6227
182: ok 6228
182: ok 6229
182: ok 6230
182: ok 6231
182: ok 6232
182: ok 6233
182: ok 6234
182: ok 6235
182: ok 6236
182: ok 6237
182: ok 6238
182: ok 6239
182: ok 6240
182: ok 6241
182: ok 6242
182: ok 6243
182: ok 6244
182: ok 6245
182: ok 6246
182: ok 6247
182: ok 6248
182: ok 6249
182: ok 6250
182: ok 6251
182: ok 6252
182: ok 6253
182: ok 6254
182: ok 6255
182: ok 6256
182: ok 6257
182: ok 6258
182: ok 6259
182: ok 6260
182: ok 6261
182: ok 6262
182: ok 6263
182: ok 6264
182: ok 6265
182: ok 6266
182: ok 6267
182: ok 6268
182: ok 6269
182: ok 6270
182: ok 6271
182: ok 6272
182: ok 6273
182: ok 6274
182: ok 6275
182: ok 6276
182: ok 6277
182: ok 6278
182: ok 6279
182: ok 6280
182: ok 6281
182: ok 6282
182: ok 6283
182: ok 6284
182: ok 6285
182: ok 6286
182: ok 6287
182: ok 6288
182: ok 6289
182: ok 6290
182: ok 6291
182: ok 6292
182: ok 6293
182: ok 6294
182: ok 6295
182: ok 6296
182: ok 6297
182: ok 6298
182: ok 6299
182: ok 6300
182: ok 6301
182: ok 6302
182: ok 6303
182: ok 6304
182: ok 6305
182: ok 6306
182: ok 6307
182: ok 6308
182: ok 6309
182: ok 6310
182: ok 6311
182: ok 6312
182: ok 6313
182: ok 6314
182: ok 6315
182: ok 6316
182: ok 6317
182: ok 6318
182: ok 6319
182: ok 6320
182: ok 6321
182: ok 6322
182: ok 6323
182: ok 6324
182: ok 6325
182: ok 6326
182: ok 6327
182: ok 6328
182: ok 6329
182: ok 6330
182: ok 6331
182: ok 6332
182: ok 6333
182: ok 6334
182: ok 6335
182: ok 6336
182: ok 6337
182: ok 6338
182: ok 6339
182: ok 6340
182: ok 6341
182: ok 6342
182: ok 6343
182: ok 6344
182: ok 6345
182: ok 6346
182: ok 6347
182: ok 6348
182: ok 6349
182: ok 6350
182: ok 6351
182: ok 6352
182: ok 6353
182: ok 6354
182: ok 6355
182: ok 6356
182: ok 6357
182: ok 6358
182: ok 6359
182: ok 6360
182: ok 6361
182: ok 6362
182: ok 6363
182: ok 6364
182: ok 6365
182: ok 6366
182: ok 6367
182: ok 6368
182: ok 6369
182: ok 6370
182: ok 6371
182: ok 6372
182: ok 6373
182: ok 6374
182: ok 6375
182: ok 6376
182: ok 6377
182: ok 6378
182: ok 6379
182: ok 6380
182: ok 6381
182: ok 6382
182: ok 6383
182: ok 6384
182: ok 6385
182: ok 6386
182: ok 6387
182: ok 6388
182: ok 6389
182: ok 6390
182: ok 6391
182: ok 6392
182: ok 6393
182: ok 6394
182: ok 6395
182: ok 6396
182: ok 6397
182: ok 6398
182: ok 6399
182: ok 6400
182: ok 6401
182: ok 6402
182: ok 6403
182: ok 6404
182: ok 6405
182: ok 6406
182: ok 6407
182: ok 6408
182: ok 6409
182: ok 6410
182: ok 6411
182: ok 6412
182: ok 6413
182: ok 6414
182: ok 6415
182: ok 6416
182: ok 6417
182: ok 6418
182: ok 6419
182: ok 6420
182: ok 6421
182: ok 6422
182: ok 6423
182: ok 6424
182: ok 6425
182: ok 6426
182: ok 6427
182: ok 6428
182: ok 6429
182: ok 6430
182: ok 6431
182: ok 6432
182: ok 6433
182: ok 6434
182: ok 6435
182: ok 6436
182: ok 6437
182: ok 6438
182: ok 6439
182: ok 6440
182: ok 6441
182: ok 6442
182: ok 6443
182: ok 6444
182: ok 6445
182: ok 6446
182: ok 6447
182: ok 6448
182: ok 6449
182: ok 6450
182: ok 6451
182: ok 6452
182: ok 6453
182: ok 6454
182: ok 6455
182: ok 6456
182: ok 6457
182: ok 6458
182: ok 6459
182: ok 6460
182: ok 6461
182: ok 6462
182: ok 6463
182: ok 6464
182: ok 6465
182: ok 6466
182: ok 6467
182: ok 6468
182: ok 6469
182: ok 6470
182: ok 6471
182: ok 6472
182: ok 6473
182: ok 6474
182: ok 6475
182: ok 6476
182: ok 6477
182: ok 6478
182: ok 6479
182: ok 6480
182: ok 6481
182: ok 6482
182: ok 6483
182: ok 6484
182: ok 6485
182: ok 6486
182: ok 6487
182: ok 6488
182: ok 6489
182: ok 6490
182: ok 6491
182: ok 6492
182: ok 6493
182: ok 6494
182: ok 6495
182: ok 6496
182: ok 6497
182: ok 6498
182: ok 6499
182: ok 6500
182: ok 6501
182: ok 6502
182: ok 6503
182: ok 6504
182: ok 6505
182: ok 6506
182: ok 6507
182: ok 6508
182: ok 6509
182: ok 6510
182: ok 6511
182: ok 6512
182: ok 6513
182: ok 6514
182: ok 6515
182: ok 6516
182: ok 6517
182: ok 6518
182: ok 6519
182: ok 6520
182: ok 6521
182: ok 6522
182: ok 6523
182: ok 6524
182: ok 6525
182: ok 6526
182: ok 6527
182: ok 6528
182: ok 6529
182: ok 6530
182: ok 6531
182: ok 6532
182: ok 6533
182: ok 6534
182: ok 6535
182: ok 6536
182: ok 6537
182: ok 6538
182: ok 6539
182: ok 6540
182: ok 6541
182: ok 6542
182: ok 6543
182: ok 6544
182: ok 6545
182: ok 6546
182: ok 6547
182: ok 6548
182: ok 6549
182: ok 6550
182: ok 6551
182: ok 6552
182: ok 6553
182: ok 6554
182: ok 6555
182: ok 6556
182: ok 6557
182: ok 6558
182: ok 6559
182: ok 6560
182: ok 6561
182: ok 6562
182: ok 6563
182: ok 6564
182: ok 6565
182: ok 6566
182: ok 6567
182: ok 6568
182: ok 6569
182: ok 6570
182: ok 6571
182: ok 6572
182: ok 6573
182: ok 6574
182: ok 6575
182: ok 6576
182: ok 6577
182: ok 6578
182: ok 6579
182: ok 6580
182: ok 6581
182: ok 6582
182: ok 6583
182: ok 6584
182: ok 6585
182: ok 6586
182: ok 6587
182: ok 6588
182: ok 6589
182: ok 6590
182: ok 6591
182: ok 6592
182: ok 6593
182: ok 6594
182: ok 6595
182: ok 6596
182: ok 6597
182: ok 6598
182: ok 6599
182: ok 6600
182: ok 6601
182: ok 6602
182: ok 6603
182: ok 6604
182: ok 6605
182: ok 6606
182: ok 6607
182: ok 6608
182: ok 6609
182: ok 6610
182: ok 6611
182: ok 6612
182: ok 6613
182: ok 6614
182: ok 6615
182: ok 6616
182: ok 6617
182: ok 6618
182: ok 6619
182: ok 6620
182: ok 6621
182: ok 6622
182: ok 6623
182: ok 6624
182: ok 6625
182: ok 6626
182: ok 6627
182: ok 6628
182: ok 6629
182: ok 6630
182: ok 6631
182: ok 6632
182: ok 6633
182: ok 6634
182: ok 6635
182: ok 6636
182: ok 6637
182: ok 6638
182: ok 6639
182: ok 6640
182: ok 6641
182: ok 6642
182: ok 6643
182: ok 6644
182: ok 6645
182: ok 6646
182: ok 6647
182: ok 6648
182: ok 6649
182: ok 6650
182: ok 6651
182: ok 6652
182: ok 6653
182: ok 6654
182: ok 6655
182: ok 6656
182: ok 6657
182: ok 6658
182: ok 6659
182: ok 6660
182: ok 6661
182: ok 6662
182: ok 6663
182: ok 6664
182: ok 6665
182: ok 6666
182: ok 6667
182: ok 6668
182: ok 6669
182: ok 6670
182: ok 6671
182: ok 6672
182: ok 6673
182: ok 6674
182: ok 6675
182: ok 6676
182: ok 6677
182: ok 6678
182: ok 6679
182: ok 6680
182: ok 6681
182: ok 6682
182: ok 6683
182: ok 6684
182: ok 6685
182: ok 6686
182: ok 6687
182: ok 6688
182: ok 6689
182: ok 6690
182: ok 6691
182: ok 6692
182: ok 6693
182: ok 6694
182: ok 6695
182: ok 6696
182: ok 6697
182: ok 6698
182: ok 6699
182: ok 6700
182: ok 6701
182: ok 6702
182: ok 6703
182: ok 6704
182: ok 6705
182: ok 6706
182: ok 6707
182: ok 6708
182: ok 6709
182: ok 6710
182: ok 6711
182: ok 6712
182: ok 6713
182: ok 6714
182: ok 6715
182: ok 6716
182: ok 6717
182: ok 6718
182: ok 6719
182: ok 6720
182: ok 6721
182: ok 6722
182: ok 6723
182: ok 6724
182: ok 6725
182: ok 6726
182: ok 6727
182: ok 6728
182: ok 6729
182: ok 6730
182: ok 6731
182: ok 6732
182: ok 6733
182: ok 6734
182: ok 6735
182: ok 6736
182: ok 6737
182: ok 6738
182: ok 6739
182: ok 6740
182: ok 6741
182: ok 6742
182: ok 6743
182: ok 6744
182: ok 6745
182: ok 6746
182: ok 6747
182: ok 6748
182: ok 6749
182: ok 6750
182: ok 6751
182: ok 6752
182: ok 6753
182: ok 6754
182: ok 6755
182: ok 6756
182: ok 6757
182: ok 6758
182: ok 6759
182: ok 6760
182: ok 6761
182: ok 6762
182: ok 6763
182: ok 6764
182: ok 6765
182: ok 6766
182: ok 6767
182: ok 6768
182: ok 6769
182: ok 6770
182: ok 6771
182: ok 6772
182: ok 6773
182: ok 6774
182: ok 6775
182: ok 6776
182: ok 6777
182: ok 6778
182: ok 6779
182: ok 6780
182: ok 6781
182: ok 6782
182: ok 6783
182: ok 6784
182: ok 6785
182: ok 6786
182: ok 6787
182: ok 6788
182: ok 6789
182: ok 6790
182: ok 6791
182: ok 6792
182: ok 6793
182: ok 6794
182: ok 6795
182: ok 6796
182: ok 6797
182: ok 6798
182: ok 6799
182: ok 6800
182: ok 6801
182: ok 6802
182: ok 6803
182: ok 6804
182: ok 6805
182: ok 6806
182: ok 6807
182: ok 6808
182: ok 6809
182: ok 6810
182: ok 6811
182: ok 6812
182: ok 6813
182: ok 6814
182: ok 6815
182: ok 6816
182: ok 6817
182: ok 6818
182: ok 6819
182: ok 6820
182: ok 6821
182: ok 6822
182: ok 6823
182: ok 6824
182: ok 6825
182: ok 6826
182: ok 6827
182: ok 6828
182: ok 6829
182: ok 6830
182: ok 6831
182: ok 6832
182: ok 6833
182: ok 6834
182: ok 6835
182: ok 6836
182: ok 6837
182: ok 6838
182: ok 6839
182: ok 6840
182: ok 6841
182: ok 6842
182: ok 6843
182: ok 6844
182: ok 6845
182: ok 6846
182: ok 6847
182: ok 6848
182: ok 6849
182: ok 6850
182: ok 6851
182: ok 6852
182: ok 6853
182: ok 6854
182: ok 6855
182: ok 6856
182: ok 6857
182: ok 6858
182: ok 6859
182: ok 6860
182: ok 6861
182: ok 6862
182: ok 6863
182: ok 6864
182: ok 6865
182: ok 6866
182: ok 6867
182: ok 6868
182: ok 6869
182: ok 6870
182: ok 6871
182: ok 6872
182: ok 6873
182: ok 6874
182: ok 6875
182: ok 6876
182: ok 6877
182: ok 6878
182: ok 6879
182: ok 6880
182: ok 6881
182: ok 6882
182: ok 6883
182: ok 6884
182: ok 6885
182: ok 6886
182: ok 6887
182: ok 6888
182: ok 6889
182: ok 6890
182: ok 6891
182: ok 6892
182: ok 6893
182: ok 6894
182: ok 6895
182: ok 6896
182: ok 6897
182: ok 6898
182: ok 6899
182: ok 6900
182: ok 6901
182: ok 6902
182: ok 6903
182: ok 6904
182: ok 6905
182: ok 6906
182: ok 6907
182: ok 6908
182: ok 6909
182: ok 6910
182: ok 6911
182: ok 6912
182: ok 6913
182: ok 6914
182: ok 6915
182: ok 6916
182: ok 6917
182: ok 6918
182: ok 6919
182: ok 6920
182: ok 6921
182: ok 6922
182: ok 6923
182: ok 6924
182: ok 6925
182: ok 6926
182: ok 6927
182: ok 6928
182: ok 6929
182: ok 6930
182: ok 6931
182: ok 6932
182: ok 6933
182: ok 6934
182: ok 6935
182: ok 6936
182: ok 6937
182: ok 6938
182: ok 6939
182: ok 6940
182: ok 6941
182: ok 6942
182: ok 6943
182: ok 6944
182: ok 6945
182: ok 6946
182: ok 6947
182: ok 6948
182: ok 6949
182: ok 6950
182: ok 6951
182: ok 6952
182: ok 6953
182: ok 6954
182: ok 6955
182: ok 6956
182: ok 6957
182: ok 6958
182: ok 6959
182: ok 6960
182: ok 6961
182: ok 6962
182: ok 6963
182: ok 6964
182: ok 6965
182: ok 6966
182: ok 6967
182: ok 6968
182: ok 6969
182: ok 6970
182: ok 6971
182: ok 6972
182: ok 6973
182: ok 6974
182: ok 6975
182: ok 6976
182: ok 6977
182: ok 6978
182: ok 6979
182: ok 6980
182: ok 6981
182: ok 6982
182: ok 6983
182: ok 6984
182: ok 6985
182: ok 6986
182: ok 6987
182: ok 6988
182: ok 6989
182: ok 6990
182: ok 6991
182: ok 6992
182: ok 6993
182: ok 6994
182: ok 6995
182: ok 6996
182: ok 6997
182: ok 6998
182: ok 6999
182: ok 7000
182: # math: passed testEigenvalues
182: # math: entering testEigenvectors
182: ok 7001
182: ok 7002
182: ok 7003
182: ok 7004
182: ok 7005
182: ok 7006
182: ok 7007
182: ok 7008
182: ok 7009
182: ok 7010
182: ok 7011
182: ok 7012
182: ok 7013
182: ok 7014
182: ok 7015
182: ok 7016
182: ok 7017
182: ok 7018
182: ok 7019
182: ok 7020
182: ok 7021
182: ok 7022
182: ok 7023
182: ok 7024
182: ok 7025
182: ok 7026
182: ok 7027
182: ok 7028
182: ok 7029
182: ok 7030
182: ok 7031
182: ok 7032
182: ok 7033
182: ok 7034
182: ok 7035
182: ok 7036
182: ok 7037
182: ok 7038
182: ok 7039
182: ok 7040
182: ok 7041
182: ok 7042
182: ok 7043
182: ok 7044
182: ok 7045
182: ok 7046
182: ok 7047
182: ok 7048
182: ok 7049
182: ok 7050
182: ok 7051
182: ok 7052
182: ok 7053
182: ok 7054
182: ok 7055
182: ok 7056
182: ok 7057
182: ok 7058
182: ok 7059
182: ok 7060
182: ok 7061
182: ok 7062
182: ok 7063
182: ok 7064
182: ok 7065
182: ok 7066
182: ok 7067
182: ok 7068
182: ok 7069
182: ok 7070
182: ok 7071
182: ok 7072
182: ok 7073
182: ok 7074
182: ok 7075
182: ok 7076
182: ok 7077
182: ok 7078
182: ok 7079
182: ok 7080
182: ok 7081
182: ok 7082
182: ok 7083
182: ok 7084
182: ok 7085
182: ok 7086
182: ok 7087
182: ok 7088
182: ok 7089
182: ok 7090
182: ok 7091
182: ok 7092
182: ok 7093
182: ok 7094
182: ok 7095
182: ok 7096
182: ok 7097
182: ok 7098
182: ok 7099
182: ok 7100
182: ok 7101
182: ok 7102
182: ok 7103
182: ok 7104
182: ok 7105
182: ok 7106
182: ok 7107
182: ok 7108
182: ok 7109
182: ok 7110
182: ok 7111
182: ok 7112
182: ok 7113
182: ok 7114
182: ok 7115
182: ok 7116
182: ok 7117
182: ok 7118
182: ok 7119
182: ok 7120
182: ok 7121
182: ok 7122
182: ok 7123
182: ok 7124
182: ok 7125
182: ok 7126
182: ok 7127
182: ok 7128
182: ok 7129
182: ok 7130
182: ok 7131
182: ok 7132
182: ok 7133
182: ok 7134
182: ok 7135
182: ok 7136
182: ok 7137
182: ok 7138
182: ok 7139
182: ok 7140
182: ok 7141
182: ok 7142
182: ok 7143
182: ok 7144
182: ok 7145
182: ok 7146
182: ok 7147
182: ok 7148
182: ok 7149
182: ok 7150
182: ok 7151
182: ok 7152
182: ok 7153
182: ok 7154
182: ok 7155
182: ok 7156
182: ok 7157
182: ok 7158
182: ok 7159
182: ok 7160
182: ok 7161
182: ok 7162
182: ok 7163
182: ok 7164
182: ok 7165
182: ok 7166
182: ok 7167
182: ok 7168
182: ok 7169
182: ok 7170
182: ok 7171
182: ok 7172
182: ok 7173
182: ok 7174
182: ok 7175
182: ok 7176
182: ok 7177
182: ok 7178
182: ok 7179
182: ok 7180
182: ok 7181
182: ok 7182
182: ok 7183
182: ok 7184
182: ok 7185
182: ok 7186
182: ok 7187
182: ok 7188
182: ok 7189
182: ok 7190
182: ok 7191
182: ok 7192
182: ok 7193
182: ok 7194
182: ok 7195
182: ok 7196
182: ok 7197
182: ok 7198
182: ok 7199
182: ok 7200
182: ok 7201
182: ok 7202
182: ok 7203
182: ok 7204
182: ok 7205
182: ok 7206
182: ok 7207
182: ok 7208
182: ok 7209
182: ok 7210
182: ok 7211
182: ok 7212
182: ok 7213
182: ok 7214
182: ok 7215
182: ok 7216
182: ok 7217
182: ok 7218
182: ok 7219
182: ok 7220
182: ok 7221
182: ok 7222
182: ok 7223
182: ok 7224
182: ok 7225
182: ok 7226
182: ok 7227
182: ok 7228
182: ok 7229
182: ok 7230
182: ok 7231
182: ok 7232
182: ok 7233
182: ok 7234
182: ok 7235
182: ok 7236
182: ok 7237
182: ok 7238
182: ok 7239
182: ok 7240
182: ok 7241
182: ok 7242
182: ok 7243
182: ok 7244
182: ok 7245
182: ok 7246
182: ok 7247
182: ok 7248
182: ok 7249
182: ok 7250
182: ok 7251
182: ok 7252
182: ok 7253
182: ok 7254
182: ok 7255
182: ok 7256
182: ok 7257
182: ok 7258
182: ok 7259
182: ok 7260
182: ok 7261
182: ok 7262
182: ok 7263
182: ok 7264
182: ok 7265
182: ok 7266
182: ok 7267
182: ok 7268
182: ok 7269
182: ok 7270
182: ok 7271
182: ok 7272
182: ok 7273
182: ok 7274
182: ok 7275
182: ok 7276
182: ok 7277
182: ok 7278
182: ok 7279
182: ok 7280
182: ok 7281
182: ok 7282
182: ok 7283
182: ok 7284
182: ok 7285
182: ok 7286
182: ok 7287
182: ok 7288
182: ok 7289
182: ok 7290
182: ok 7291
182: ok 7292
182: ok 7293
182: ok 7294
182: ok 7295
182: ok 7296
182: ok 7297
182: ok 7298
182: ok 7299
182: ok 7300
182: ok 7301
182: ok 7302
182: ok 7303
182: ok 7304
182: ok 7305
182: ok 7306
182: ok 7307
182: ok 7308
182: ok 7309
182: ok 7310
182: ok 7311
182: ok 7312
182: ok 7313
182: ok 7314
182: ok 7315
182: ok 7316
182: ok 7317
182: ok 7318
182: ok 7319
182: ok 7320
182: ok 7321
182: ok 7322
182: ok 7323
182: ok 7324
182: ok 7325
182: ok 7326
182: ok 7327
182: ok 7328
182: ok 7329
182: ok 7330
182: ok 7331
182: ok 7332
182: ok 7333
182: ok 7334
182: ok 7335
182: ok 7336
182: ok 7337
182: ok 7338
182: ok 7339
182: ok 7340
182: ok 7341
182: ok 7342
182: ok 7343
182: ok 7344
182: ok 7345
182: ok 7346
182: ok 7347
182: ok 7348
182: ok 7349
182: ok 7350
182: ok 7351
182: ok 7352
182: ok 7353
182: ok 7354
182: ok 7355
182: ok 7356
182: ok 7357
182: ok 7358
182: ok 7359
182: ok 7360
182: ok 7361
182: ok 7362
182: ok 7363
182: ok 7364
182: ok 7365
182: ok 7366
182: ok 7367
182: ok 7368
182: ok 7369
182: ok 7370
182: ok 7371
182: ok 7372
182: ok 7373
182: ok 7374
182: ok 7375
182: ok 7376
182: ok 7377
182: ok 7378
182: ok 7379
182: ok 7380
182: ok 7381
182: ok 7382
182: ok 7383
182: ok 7384
182: ok 7385
182: ok 7386
182: ok 7387
182: ok 7388
182: ok 7389
182: ok 7390
182: ok 7391
182: ok 7392
182: ok 7393
182: ok 7394
182: ok 7395
182: ok 7396
182: ok 7397
182: ok 7398
182: ok 7399
182: ok 7400
182: ok 7401
182: ok 7402
182: ok 7403
182: ok 7404
182: ok 7405
182: ok 7406
182: ok 7407
182: ok 7408
182: ok 7409
182: ok 7410
182: ok 7411
182: ok 7412
182: ok 7413
182: ok 7414
182: ok 7415
182: ok 7416
182: ok 7417
182: ok 7418
182: ok 7419
182: ok 7420
182: ok 7421
182: ok 7422
182: ok 7423
182: ok 7424
182: ok 7425
182: ok 7426
182: ok 7427
182: ok 7428
182: ok 7429
182: ok 7430
182: ok 7431
182: ok 7432
182: ok 7433
182: ok 7434
182: ok 7435
182: ok 7436
182: ok 7437
182: ok 7438
182: ok 7439
182: ok 7440
182: ok 7441
182: ok 7442
182: ok 7443
182: ok 7444
182: ok 7445
182: ok 7446
182: ok 7447
182: ok 7448
182: ok 7449
182: ok 7450
182: ok 7451
182: ok 7452
182: ok 7453
182: ok 7454
182: ok 7455
182: ok 7456
182: ok 7457
182: ok 7458
182: ok 7459
182: ok 7460
182: ok 7461
182: ok 7462
182: ok 7463
182: ok 7464
182: ok 7465
182: ok 7466
182: ok 7467
182: ok 7468
182: ok 7469
182: ok 7470
182: ok 7471
182: ok 7472
182: ok 7473
182: ok 7474
182: ok 7475
182: ok 7476
182: ok 7477
182: ok 7478
182: ok 7479
182: ok 7480
182: ok 7481
182: ok 7482
182: ok 7483
182: ok 7484
182: ok 7485
182: ok 7486
182: ok 7487
182: ok 7488
182: ok 7489
182: ok 7490
182: ok 7491
182: ok 7492
182: ok 7493
182: ok 7494
182: ok 7495
182: ok 7496
182: ok 7497
182: ok 7498
182: ok 7499
182: ok 7500
182: ok 7501
182: ok 7502
182: ok 7503
182: ok 7504
182: ok 7505
182: ok 7506
182: ok 7507
182: ok 7508
182: ok 7509
182: ok 7510
182: ok 7511
182: ok 7512
183: # Unit tests for OBMol 
183: ok 1
183: ok 2
183: ok 3
183: ok 4
183: ok 5
183: ok 6
183: ok 7
183: ok 8
183: ok 9
183: ok 10
183: ok 11
183: ok 12
183: ok 13
183: ==============================
183: *** Open Babel Warning  in GetSpacedFormula
183:   Skipping unknown element with atomic number 200
183: ok 14
183: ok 15 0
183: 1..15
184: # Unit tests for OBMol 
184: ok 1
184: ok 2!
184: ok 3!
184: ok 4!
184: ok 5!
184: ok 6!
184: ok 7!
184: ok 8!
184: 1..6
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 1)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 2)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 3)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 4)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 5)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 6)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 7)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 8)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 9)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 10)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 11)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 12)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 13)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 14)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 15)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 16)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 17)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 18)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 19)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 20)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 21)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 22)
185: # Unit tests for OBMol 
185: ok 1
185: ok 2!
185: ok 3!
185: ok 4!
185: ok 5!
185: ok 6!
185: ok 7!
185: ok 8!
185: 1..6
186: # Unit tests for OBMol 
186: ok 1
186: ok 2!
186: ok 3!
186: ok 4!
186: ok 5!
186: ok 6!
186: ok 7!
186: ok 8!
186: 1..6
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 1)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 2)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 3)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 4)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 5)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 6)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 7)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 8)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 9)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 10)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 11)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 12)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 13)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 14)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 15)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 16)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 17)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 18)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 19)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 20)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 21)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 22)
187: # Unit tests for OBMol 
187: ok 1
187: ok 2!
187: ok 3!
187: ok 4!
187: ok 5!
187: ok 6!
187: ok 7!
187: ok 8!
187: 1..6
188: # Asp
188: #pH = 1.0 : [NH3+]C(CC(=O)O)C(=O)O	
188: ok 1
188: #pH = 3.9 : [NH3+]C(CC(=O)[O-])C(=O)O	
188: ok 2
188: #pH = 7.4 : [NH3+]C(CC(=O)[O-])C(=O)[O-]	
188: ok 3
188: #pH = 13.0 : NC(CC(=O)[O-])C(=O)[O-]	
188: ok 4
188: # Glu
188: #pH = 1.0 : [NH3+]C(CCC(=O)O)C(=O)O	
188: ok 5
188: #pH = 4.15 : [NH3+]C(CCC(=O)[O-])C(=O)[O-]	
188: #pH = 7.4 : [NH3+]C(CCC(=O)[O-])C(=O)[O-]	
188: ok 6
188: #pH = 13.0 : NC(CCC(=O)[O-])C(=O)[O-]	
188: ok 7
188: # His
188: #pH = 1.0 : [NH3+]C(Cc1[nH+]c[nH]c1)C(=O)O	
188: ok 8
188: #pH = 5.0 : [NH3+]C(Cc1[nH+]c[nH]c1)C(=O)[O-]	
188: ok 9
188: #pH = 7.4 : [NH3+]C(Cc1nc[nH]c1)C(=O)[O-]	
188: ok 10
188: #pH = 13.0 : NC(Cc1nc[nH]c1)C(=O)[O-]	
188: ok 11
188: # Lys
188: #pH = 1.0 : [NH3+]C(CCCC[NH3+])C(=O)O	
188: ok 12
188: #pH = 7.4 : [NH3+]C(CCCC[NH3+])C(=O)[O-]	
188: ok 13
188: #pH = 9.0 : [NH3+]C(CCCC[NH3+])C(=O)[O-]	
188: #pH = 13.0 : NC(CCCCN)C(=O)[O-]	
188: ok 14
188: # Tyr
188: #pH = 1.0 : [NH3+]C(Cc1ccc(O)cc1)C(=O)O	
188: ok 15
188: #pH = 7.4 : [NH3+]C(Cc1ccc(O)cc1)C(=O)[O-]	
188: ok 16
188: #pH = 10.05 : NC(Cc1ccc(O)cc1)C(=O)[O-]	
188: ok 17
188: #pH = 13.0 : NC(Cc1ccc([O-])cc1)C(=O)[O-]	
188: ok 18
188: # Arg
188: #pH = 1.0 : [NH3+]C(CCCNC(=[NH2+])N)C(=O)O	
188: ok 19
188: #pH = 7.4 : [NH3+]C(CCCNC(=[NH2+])N)C(=O)[O-]	
188: ok 20
188: #pH = 11.0 : NC(CCCNC(=[NH2+])N)C(=O)[O-]	
188: ok 21
188: #pH = 13.0 : NC(CCCNC(=N)N)C(=O)[O-]	
188: ok 22
188: # Gly-Gly
188: #pH = 1.0 : [NH3+]CC(=O)NCC(=O)O	
188: ok 23
188: #pH = 7.4 : [NH3+]CC(=O)NCC(=O)[O-]	
188: ok 24
188: #pH = 13.0 : NCC(=O)NCC(=O)[O-]	
188: ok 25
188: 1..25
189: # Unit tests for OBResidue 
189: ok 1
189: ok 2
189: ok 3
189: ok 4 # ALA
189: ok 5 # ARG
189: ok 6 # ASN
189: ok 7 # ASP
189: ok 8 # CYS
189: ok 9 # GLU
189: ok 10 # GLN
189: ok 11 # GLY
189: ok 12 # HIS
189: ok 13 # ILE
189: ok 14 # LEU
189: ok 15 # LYS
189: ok 16 # MET
189: ok 17 # PHE
189: ok 18 # PRO
189: ok 19 # SER
189: ok 20 # THR
189: ok 21 # TRP
189: ok 22 # TYR
189: ok 23 # VAL
189: ok 24 #   A
189: ok 25 #   C
189: ok 26 #   G
189: ok 27 #   T
189: ok 28 #   U
189: ==============================
189: *** Open Babel Warning  in ParseSmiles
189:   Failed to kekulize aromatic SMILES
189: 
189: ok 29 # found ligand, not residue c1ccccc1
189: ok 30 # found ligand, not residue c1cccn[H]1
189: ok 31 # found ligand, not residue CC(=O)CCN
189: ok 32 # ALA VAL
189: ok 33 # CYS LEU
189: 1..33
190: # Testing ring perception...
190: ok 1 # correct ring bond data
190: ok 2 # correct ring bond data
190: ok 3 # correct ring bond data
190: ok 4 # correct ring bond data
190: ok 5 # correct ring bond data
190: ok 6 # correct ring bond data
190: ok 7 # correct ring bond data
190: ok 8 # correct ring bond data
190: ok 9 # correct ring bond data
190: ok 10 # correct ring bond data
190: ok 11 # correct ring bond data
190: ok 12 # correct ring bond data
190: ok 13 # correct ring bond data
190: ok 14 # SSSR size matches reference
190: ok 15 # correct SSSR count
190: ok 16 # ring membership passed
190: ok 17 # correct SSSR count
190: ok 18 # ring membership passed
190: ok 19 # correct SSSR count
190: ok 20 # ring membership passed
190: ok 21 # correct SSSR count
190: ok 22 # ring membership passed
190: ok 23 # correct SSSR count
190: ok 24 # ring membership passed
190: ok 25 # correct SSSR count
190: ok 26 # ring membership passed
190: ok 27 # correct SSSR count
190: ok 28 # ring membership passed
190: ok 29 # correct SSSR count
190: ok 30 # ring membership passed
190: ok 31 # correct SSSR count
190: ok 32 # ring membership passed
190: ok 33 # correct SSSR count
190: ok 34 # ring membership passed
190: ok 35 # correct SSSR count
190: ok 36 # ring membership passed
190: ok 37 # correct SSSR count
190: ok 38 # ring membership passed
190: ok 39 # correct ring bond data
190: ok 40 # correct ring bond data
190: ok 41 # correct ring bond data
190: ok 42 # correct ring bond data
190: ok 43 # correct ring bond data
190: ok 44 # correct ring bond data
190: ok 45 # correct ring bond data
190: ok 46 # correct ring bond data
190: ok 47 # correct ring bond data
190: ok 48 # correct ring bond data
190: ok 49 # correct ring bond data
190: ok 50 # correct ring bond data
190: ok 51 # correct ring bond data
190: ok 52 # correct ring bond data
190: ok 53 # correct ring bond data
190: ok 54 # SSSR size matches reference
190: ok 55 # correct SSSR count
190: ok 56 # ring membership passed
190: ok 57 # correct SSSR count
190: ok 58 # ring membership passed
190: ok 59 # correct SSSR count
190: ok 60 # ring membership passed
190: ok 61 # correct SSSR count
190: ok 62 # ring membership passed
190: ok 63 # correct SSSR count
190: ok 64 # ring membership passed
190: ok 65 # correct SSSR count
190: ok 66 # ring membership passed
190: ok 67 # correct SSSR count
190: ok 68 # ring membership passed
190: ok 69 # correct SSSR count
190: ok 70 # ring membership passed
190: ok 71 # correct SSSR count
190: ok 72 # ring membership passed
190: ok 73 # correct SSSR count
190: ok 74 # ring membership passed
190: ok 75 # correct SSSR count
190: ok 76 # ring membership passed
190: ok 77 # correct SSSR count
190: ok 78 # ring membership passed
190: ok 79 # correct SSSR count
190: ok 80 # ring membership passed
190: ok 81 # correct SSSR count
190: ok 82 # ring membership passed
190: ok 83 # correct ring bond data
190: ok 84 # correct ring bond data
190: ok 85 # correct ring bond data
190: ok 86 # correct ring bond data
190: ok 87 # correct ring bond data
190: ok 88 # correct ring bond data
190: ok 89 # correct ring bond data
190: ok 90 # correct ring bond data
190: ok 91 # correct ring bond data
190: ok 92 # correct ring bond data
190: ok 93 # SSSR size matches reference
190: ok 94 # correct SSSR count
190: ok 95 # ring membership passed
190: ok 96 # correct SSSR count
190: ok 97 # ring membership passed
190: ok 98 # correct SSSR count
190: ok 99 # ring membership passed
190: ok 100 # correct SSSR count
190: ok 101 # ring membership passed
190: ok 102 # correct SSSR count
190: ok 103 # ring membership passed
190: ok 104 # correct SSSR count
190: ok 105 # ring membership passed
190: ok 106 # correct SSSR count
190: ok 107 # ring membership passed
190: ok 108 # correct SSSR count
190: ok 109 # ring membership passed
190: ok 110 # correct SSSR count
190: ok 111 # ring membership passed
190: ok 112 # correct SSSR count
190: ok 113 # ring membership passed
190: ok 114 # correct ring bond data
190: ok 115 # correct ring bond data
190: ok 116 # correct ring bond data
190: ok 117 # correct ring bond data
190: ok 118 # correct ring bond data
190: ok 119 # correct ring bond data
190: ok 120 # correct ring bond data
190: ok 121 # correct ring bond data
190: ok 122 # correct ring bond data
190: ok 123 # correct ring bond data
190: ok 124 # correct ring bond data
190: ok 125 # correct ring bond data
190: ok 126 # correct ring bond data
190: ok 127 # correct ring bond data
190: ok 128 # correct ring bond data
190: ok 129 # correct ring bond data
190: ok 130 # correct ring bond data
190: ok 131 # correct ring bond data
190: ok 132 # correct ring bond data
190: ok 133 # correct ring bond data
190: ok 134 # correct ring bond data
190: ok 135 # correct ring bond data
190: ok 136 # correct ring bond data
190: ok 137 # correct ring bond data
190: ok 138 # SSSR size matches reference
190: ok 139 # correct SSSR count
190: ok 140 # ring membership passed
190: ok 141 # correct SSSR count
190: ok 142 # ring membership passed
190: ok 143 # correct SSSR count
190: ok 144 # ring membership passed
190: ok 145 # correct SSSR count
190: ok 146 # ring membership passed
190: ok 147 # correct SSSR count
190: ok 148 # ring membership passed
190: ok 149 # correct SSSR count
190: ok 150 # ring membership passed
190: ok 151 # correct SSSR count
190: ok 152 # ring membership passed
190: ok 153 # correct SSSR count
190: ok 154 # ring membership passed
190: ok 155 # correct SSSR count
190: ok 156 # ring membership passed
190: ok 157 # correct SSSR count
190: ok 158 # ring membership passed
190: ok 159 # correct SSSR count
190: ok 160 # ring membership passed
190: ok 161 # correct SSSR count
190: ok 162 # ring membership passed
190: ok 163 # correct SSSR count
190: ok 164 # ring membership passed
190: ok 165 # correct SSSR count
190: ok 166 # ring membership passed
190: ok 167 # correct SSSR count
190: ok 168 # ring membership passed
190: ok 169 # correct SSSR count
190: ok 170 # ring membership passed
190: ok 171 # correct SSSR count
190: ok 172 # ring membership passed
190: ok 173 # correct SSSR count
190: ok 174 # ring membership passed
190: ok 175 # correct SSSR count
190: ok 176 # ring membership passed
190: ok 177 # correct SSSR count
190: ok 178 # ring membership passed
190: ok 179 # correct SSSR count
190: ok 180 # ring membership passed
190: ok 181 # correct SSSR count
190: ok 182 # ring membership passed
190: ok 183 # correct ring bond data
190: ok 184 # correct ring bond data
190: ok 185 # correct ring bond data
190: ok 186 # correct ring bond data
190: ok 187 # correct ring bond data
190: ok 188 # correct ring bond data
190: ok 189 # correct ring bond data
190: ok 190 # correct ring bond data
190: ok 191 # correct ring bond data
190: ok 192 # correct ring bond data
190: ok 193 # correct ring bond data
190: ok 194 # correct ring bond data
190: ok 195 # correct ring bond data
190: ok 196 # correct ring bond data
190: ok 197 # correct ring bond data
190: ok 198 # correct ring bond data
190: ok 199 # correct ring bond data
190: ok 200 # correct ring bond data
190: ok 201 # correct ring bond data
190: ok 202 # correct ring bond data
190: ok 203 # correct ring bond data
190: ok 204 # correct ring bond data
190: ok 205 # correct ring bond data
190: ok 206 # correct ring bond data
190: ok 207 # SSSR size matches reference
190: ok 208 # correct SSSR count
190: ok 209 # ring membership passed
190: ok 210 # correct SSSR count
190: ok 211 # ring membership passed
190: ok 212 # correct SSSR count
190: ok 213 # ring membership passed
190: ok 214 # correct SSSR count
190: ok 215 # ring membership passed
190: ok 216 # correct SSSR count
190: ok 217 # ring membership passed
190: ok 218 # correct SSSR count
190: ok 219 # ring membership passed
190: ok 220 # correct SSSR count
190: ok 221 # ring membership passed
190: ok 222 # correct SSSR count
190: ok 223 # ring membership passed
190: ok 224 # correct SSSR count
190: ok 225 # ring membership passed
190: ok 226 # correct SSSR count
190: ok 227 # ring membership passed
190: ok 228 # correct SSSR count
190: ok 229 # ring membership passed
190: ok 230 # correct SSSR count
190: ok 231 # ring membership passed
190: ok 232 # correct SSSR count
190: ok 233 # ring membership passed
190: ok 234 # correct SSSR count
190: ok 235 # ring membership passed
190: ok 236 # correct SSSR count
190: ok 237 # ring membership passed
190: ok 238 # correct SSSR count
190: ok 239 # ring membership passed
190: ok 240 # correct SSSR count
190: ok 241 # ring membership passed
190: ok 242 # correct SSSR count
190: ok 243 # ring membership passed
190: ok 244 # correct SSSR count
190: ok 245 # ring membership passed
190: ok 246 # correct SSSR count
190: ok 247 # ring membership passed
190: ok 248 # correct SSSR count
190: ok 249 # ring membership passed
190: ok 250 # correct SSSR count
190: ok 251 # ring membership passed
190: ok 252 # correct ring bond data
190: ok 253 # correct ring bond data
190: ok 254 # correct ring bond data
190: ok 255 # correct ring bond data
190: ok 256 # correct ring bond data
190: ok 257 # correct ring bond data
190: ok 258 # correct ring bond data
190: ok 259 # correct ring bond data
190: ok 260 # correct ring bond data
190: ok 261 # correct ring bond data
190: ok 262 # correct ring bond data
190: ok 263 # correct ring bond data
190: ok 264 # correct ring bond data
190: ok 265 # correct ring bond data
190: ok 266 # correct ring bond data
190: ok 267 # correct ring bond data
190: ok 268 # correct ring bond data
190: ok 269 # correct ring bond data
190: ok 270 # correct ring bond data
190: ok 271 # correct ring bond data
190: ok 272 # correct ring bond data
190: ok 273 # correct ring bond data
190: ok 274 # correct ring bond data
190: ok 275 # correct ring bond data
190: ok 276 # correct ring bond data
190: ok 277 # SSSR size matches reference
190: ok 278 # correct SSSR count
190: ok 279 # ring membership passed
190: ok 280 # correct SSSR count
190: ok 281 # ring membership passed
190: ok 282 # correct SSSR count
190: ok 283 # ring membership passed
190: ok 284 # correct SSSR count
190: ok 285 # ring membership passed
190: ok 286 # correct SSSR count
190: ok 287 # ring membership passed
190: ok 288 # correct SSSR count
190: ok 289 # ring membership passed
190: ok 290 # correct SSSR count
190: ok 291 # ring membership passed
190: ok 292 # correct SSSR count
190: ok 293 # ring membership passed
190: ok 294 # correct SSSR count
190: ok 295 # ring membership passed
190: ok 296 # correct SSSR count
190: ok 297 # ring membership passed
190: ok 298 # correct SSSR count
190: ok 299 # ring membership passed
190: ok 300 # correct SSSR count
190: ok 301 # ring membership passed
190: ok 302 # correct SSSR count
190: ok 303 # ring membership passed
190: ok 304 # correct SSSR count
190: ok 305 # ring membership passed
190: ok 306 # correct SSSR count
190: ok 307 # ring membership passed
190: ok 308 # correct SSSR count
190: ok 309 # ring membership passed
190: ok 310 # correct SSSR count
190: ok 311 # ring membership passed
190: ok 312 # correct SSSR count
190: ok 313 # ring membership passed
190: ok 314 # correct SSSR count
190: ok 315 # ring membership passed
190: ok 316 # correct SSSR count
190: ok 317 # ring membership passed
190: ok 318 # correct SSSR count
190: ok 319 # ring membership passed
190: ok 320 # correct SSSR count
190: ok 321 # ring membership passed
190: ok 322 # correct SSSR count
190: ok 323 # ring membership passed
190: ok 324 # correct ring bond data
190: ok 325 # correct ring bond data
190: ok 326 # correct ring bond data
190: ok 327 # correct ring bond data
190: ok 328 # correct ring bond data
190: ok 329 # correct ring bond data
190: ok 330 # correct ring bond data
190: ok 331 # SSSR size matches reference
190: ok 332 # correct SSSR count
190: ok 333 # ring membership passed
190: ok 334 # correct SSSR count
190: ok 335 # ring membership passed
190: ok 336 # correct SSSR count
190: ok 337 # ring membership passed
190: ok 338 # correct SSSR count
190: ok 339 # ring membership passed
190: ok 340 # correct SSSR count
190: ok 341 # ring membership passed
190: ok 342 # correct SSSR count
190: ok 343 # ring membership passed
190: ok 344 # correct SSSR count
190: ok 345 # ring membership passed
190: ok 346 # correct SSSR count
190: ok 347 # ring membership passed
190: ok 348 # correct ring bond data
190: ok 349 # correct ring bond data
190: ok 350 # correct ring bond data
190: ok 351 # correct ring bond data
190: ok 352 # correct ring bond data
190: ok 353 # correct ring bond data
190: ok 354 # correct ring bond data
190: ok 355 # correct ring bond data
190: ok 356 # correct ring bond data
190: ok 357 # correct ring bond data
190: ok 358 # correct ring bond data
190: ok 359 # correct ring bond data
190: ok 360 # correct ring bond data
190: ok 361 # correct ring bond data
190: ok 362 # correct ring bond data
190: ok 363 # correct ring bond data
190: ok 364 # correct ring bond data
190: ok 365 # correct ring bond data
190: ok 366 # correct ring bond data
190: ok 367 # correct ring bond data
190: ok 368 # correct ring bond data
190: ok 369 # correct ring bond data
190: ok 370 # correct ring bond data
190: ok 371 # SSSR size matches reference
190: ok 372 # correct SSSR count
190: ok 373 # ring membership passed
190: ok 374 # correct SSSR count
190: ok 375 # ring membership passed
190: ok 376 # correct SSSR count
190: ok 377 # ring membership passed
190: ok 378 # correct SSSR count
190: ok 379 # ring membership passed
190: ok 380 # correct SSSR count
190: ok 381 # ring membership passed
190: ok 382 # correct SSSR count
190: ok 383 # ring membership passed
190: ok 384 # correct SSSR count
190: ok 385 # ring membership passed
190: ok 386 # correct SSSR count
190: ok 387 # ring membership passed
190: ok 388 # correct SSSR count
190: ok 389 # ring membership passed
190: ok 390 # correct SSSR count
190: ok 391 # ring membership passed
190: ok 392 # correct SSSR count
190: ok 393 # ring membership passed
190: ok 394 # correct SSSR count
190: ok 395 # ring membership passed
190: ok 396 # correct SSSR count
190: ok 397 # ring membership passed
190: ok 398 # correct SSSR count
190: ok 399 # ring membership passed
190: ok 400 # correct SSSR count
190: ok 401 # ring membership passed
190: ok 402 # correct SSSR count
190: ok 403 # ring membership passed
190: ok 404 # correct SSSR count
190: ok 405 # ring membership passed
190: ok 406 # correct SSSR count
190: ok 407 # ring membership passed
190: ok 408 # correct SSSR count
190: ok 409 # ring membership passed
190: ok 410 # correct SSSR count
190: ok 411 # ring membership passed
190: ok 412 # correct SSSR count
190: ok 413 # ring membership passed
190: ok 414 # correct ring bond data
190: ok 415 # correct ring bond data
190: ok 416 # correct ring bond data
190: ok 417 # correct ring bond data
190: ok 418 # correct ring bond data
190: ok 419 # correct ring bond data
190: ok 420 # correct ring bond data
190: ok 421 # correct ring bond data
190: ok 422 # correct ring bond data
190: ok 423 # correct ring bond data
190: ok 424 # SSSR size matches reference
190: ok 425 # correct SSSR count
190: ok 426 # ring membership passed
190: ok 427 # correct SSSR count
190: ok 428 # ring membership passed
190: ok 429 # correct SSSR count
190: ok 430 # ring membership passed
190: ok 431 # correct SSSR count
190: ok 432 # ring membership passed
190: ok 433 # correct SSSR count
190: ok 434 # ring membership passed
190: ok 435 # correct SSSR count
190: ok 436 # ring membership passed
190: ok 437 # correct SSSR count
190: ok 438 # ring membership passed
190: ok 439 # correct SSSR count
190: ok 440 # ring membership passed
190: ok 441 # correct SSSR count
190: ok 442 # ring membership passed
190: ok 443 # correct SSSR count
190: ok 444 # ring membership passed
190: ok 445 # correct ring bond data
190: ok 446 # correct ring bond data
190: ok 447 # correct ring bond data
190: ok 448 # correct ring bond data
190: ok 449 # correct ring bond data
190: ok 450 # correct ring bond data
190: ok 451 # correct ring bond data
190: ok 452 # correct ring bond data
190: ok 453 # correct ring bond data
190: ok 454 # correct ring bond data
190: ok 455 # correct ring bond data
190: ok 456 # correct ring bond data
190: ok 457 # correct ring bond data
190: ok 458 # correct ring bond data
190: ok 459 # SSSR size matches reference
190: ok 460 # correct SSSR count
190: ok 461 # ring membership passed
190: ok 462 # correct SSSR count
190: ok 463 # ring membership passed
190: ok 464 # correct SSSR count
190: ok 465 # ring membership passed
190: ok 466 # correct SSSR count
190: ok 467 # ring membership passed
190: ok 468 # correct SSSR count
190: ok 469 # ring membership passed
190: ok 470 # correct SSSR count
190: ok 471 # ring membership passed
190: ok 472 # correct SSSR count
190: ok 473 # ring membership passed
190: ok 474 # correct SSSR count
190: ok 475 # ring membership passed
190: ok 476 # correct SSSR count
190: ok 477 # ring membership passed
190: ok 478 # correct SSSR count
190: ok 479 # ring membership passed
190: ok 480 # correct SSSR count
190: ok 481 # ring membership passed
190: ok 482 # correct SSSR count
190: ok 483 # ring membership passed
190: ok 484 # correct SSSR count
190: ok 485 # ring membership passed
190: ok 486 # correct ring bond data
190: ok 487 # correct ring bond data
190: ok 488 # correct ring bond data
190: ok 489 # correct ring bond data
190: ok 490 # correct ring bond data
190: ok 491 # correct ring bond data
190: ok 492 # correct ring bond data
190: ok 493 # correct ring bond data
190: ok 494 # correct ring bond data
190: ok 495 # correct ring bond data
190: ok 496 # correct ring bond data
190: ok 497 # correct ring bond data
190: ok 498 # correct ring bond data
190: ok 499 # correct ring bond data
190: ok 500 # correct ring bond data
190: ok 501 # correct ring bond data
190: ok 502 # SSSR size matches reference
190: ok 503 # correct SSSR count
190: ok 504 # ring membership passed
190: ok 505 # correct SSSR count
190: ok 506 # ring membership passed
190: ok 507 # correct SSSR count
190: ok 508 # ring membership passed
190: ok 509 # correct SSSR count
190: ok 510 # ring membership passed
190: ok 511 # correct SSSR count
190: ok 512 # ring membership passed
190: ok 513 # correct SSSR count
190: ok 514 # ring membership passed
190: ok 515 # correct SSSR count
190: ok 516 # ring membership passed
190: ok 517 # correct SSSR count
190: ok 518 # ring membership passed
190: ok 519 # correct SSSR count
190: ok 520 # ring membership passed
190: ok 521 # correct SSSR count
190: ok 522 # ring membership passed
190: ok 523 # correct SSSR count
190: ok 524 # ring membership passed
190: ok 525 # correct SSSR count
190: ok 526 # ring membership passed
190: ok 527 # correct SSSR count
190: ok 528 # ring membership passed
190: ok 529 # correct SSSR count
190: ok 530 # ring membership passed
190: ok 531 # correct SSSR count
190: ok 532 # ring membership passed
190: ok 533 # correct ring bond data
190: ok 534 # correct ring bond data
190: ok 535 # correct ring bond data
190: ok 536 # correct ring bond data
190: ok 537 # correct ring bond data
190: ok 538 # correct ring bond data
190: ok 539 # correct ring bond data
190: ok 540 # correct ring bond data
190: ok 541 # correct ring bond data
190: ok 542 # correct ring bond data
190: ok 543 # correct ring bond data
190: ok 544 # correct ring bond data
190: ok 545 # correct ring bond data
190: ok 546 # correct ring bond data
190: ok 547 # correct ring bond data
190: ok 548 # SSSR size matches reference
190: ok 549 # correct SSSR count
190: ok 550 # ring membership passed
190: ok 551 # correct SSSR count
190: ok 552 # ring membership passed
190: ok 553 # correct SSSR count
190: ok 554 # ring membership passed
190: ok 555 # correct SSSR count
190: ok 556 # ring membership passed
190: ok 557 # correct SSSR count
190: ok 558 # ring membership passed
190: ok 559 # correct SSSR count
190: ok 560 # ring membership passed
190: ok 561 # correct SSSR count
190: ok 562 # ring membership passed
190: ok 563 # correct SSSR count
190: ok 564 # ring membership passed
190: ok 565 # correct SSSR count
190: ok 566 # ring membership passed
190: ok 567 # correct SSSR count
190: ok 568 # ring membership passed
190: ok 569 # correct SSSR count
190: ok 570 # ring membership passed
190: ok 571 # correct SSSR count
190: ok 572 # ring membership passed
190: ok 573 # correct SSSR count
190: ok 574 # ring membership passed
190: ok 575 # correct SSSR count
190: ok 576 # ring membership passed
190: ok 577 # correct ring bond data
190: ok 578 # correct ring bond data
190: ok 579 # correct ring bond data
190: ok 580 # correct ring bond data
190: ok 581 # correct ring bond data
190: ok 582 # correct ring bond data
190: ok 583 # correct ring bond data
190: ok 584 # correct ring bond data
190: ok 585 # correct ring bond data
190: ok 586 # correct ring bond data
190: ok 587 # correct ring bond data
190: ok 588 # correct ring bond data
190: ok 589 # correct ring bond data
190: ok 590 # correct ring bond data
190: ok 591 # correct ring bond data
190: ok 592 # correct ring bond data
190: ok 593 # SSSR size matches reference
190: ok 594 # correct SSSR count
190: ok 595 # ring membership passed
190: ok 596 # correct SSSR count
190: ok 597 # ring membership passed
190: ok 598 # correct SSSR count
190: ok 599 # ring membership passed
190: ok 600 # correct SSSR count
190: ok 601 # ring membership passed
190: ok 602 # correct SSSR count
190: ok 603 # ring membership passed
190: ok 604 # correct SSSR count
190: ok 605 # ring membership passed
190: ok 606 # correct SSSR count
190: ok 607 # ring membership passed
190: ok 608 # correct SSSR count
190: ok 609 # ring membership passed
190: ok 610 # correct SSSR count
190: ok 611 # ring membership passed
190: ok 612 # correct SSSR count
190: ok 613 # ring membership passed
190: ok 614 # correct SSSR count
190: ok 615 # ring membership passed
190: ok 616 # correct SSSR count
190: ok 617 # ring membership passed
190: ok 618 # correct SSSR count
190: ok 619 # ring membership passed
190: ok 620 # correct SSSR count
190: ok 621 # ring membership passed
190: ok 622 # correct SSSR count
190: ok 623 # ring membership passed
190: ok 624 # correct ring bond data
190: ok 625 # correct ring bond data
190: ok 626 # correct ring bond data
190: ok 627 # correct ring bond data
190: ok 628 # correct ring bond data
190: ok 629 # correct ring bond data
190: ok 630 # correct ring bond data
190: ok 631 # correct ring bond data
190: ok 632 # correct ring bond data
190: ok 633 # correct ring bond data
190: ok 634 # correct ring bond data
190: ok 635 # correct ring bond data
190: ok 636 # correct ring bond data
190: ok 637 # correct ring bond data
190: ok 638 # correct ring bond data
190: ok 639 # correct ring bond data
190: ok 640 # correct ring bond data
190: ok 641 # SSSR size matches reference
190: ok 642 # correct SSSR count
190: ok 643 # ring membership passed
190: ok 644 # correct SSSR count
190: ok 645 # ring membership passed
190: ok 646 # correct SSSR count
190: ok 647 # ring membership passed
190: ok 648 # correct SSSR count
190: ok 649 # ring membership passed
190: ok 650 # correct SSSR count
190: ok 651 # ring membership passed
190: ok 652 # correct SSSR count
190: ok 653 # ring membership passed
190: ok 654 # correct SSSR count
190: ok 655 # ring membership passed
190: ok 656 # correct SSSR count
190: ok 657 # ring membership passed
190: ok 658 # correct SSSR count
190: ok 659 # ring membership passed
190: ok 660 # correct SSSR count
190: ok 661 # ring membership passed
190: ok 662 # correct SSSR count
190: ok 663 # ring membership passed
190: ok 664 # correct SSSR count
190: ok 665 # ring membership passed
190: ok 666 # correct SSSR count
190: ok 667 # ring membership passed
190: ok 668 # correct SSSR count
190: ok 669 # ring membership passed
190: ok 670 # correct SSSR count
190: ok 671 # ring membership passed
190: ok 672 # correct SSSR count
190: ok 673 # ring membership passed
190: ok 674 # correct ring bond data
190: ok 675 # correct ring bond data
190: ok 676 # correct ring bond data
190: ok 677 # correct ring bond data
190: ok 678 # correct ring bond data
190: ok 679 # correct ring bond data
190: ok 680 # correct ring bond data
190: ok 681 # correct ring bond data
190: ok 682 # correct ring bond data
190: ok 683 # correct ring bond data
190: ok 684 # correct ring bond data
190: ok 685 # correct ring bond data
190: ok 686 # correct ring bond data
190: ok 687 # correct ring bond data
190: ok 688 # correct ring bond data
190: ok 689 # correct ring bond data
190: ok 690 # correct ring bond data
190: ok 691 # correct ring bond data
190: ok 692 # correct ring bond data
190: ok 693 # SSSR size matches reference
190: ok 694 # correct SSSR count
190: ok 695 # ring membership passed
190: ok 696 # correct SSSR count
190: ok 697 # ring membership passed
190: ok 698 # correct SSSR count
190: ok 699 # ring membership passed
190: ok 700 # correct SSSR count
190: ok 701 # ring membership passed
190: ok 702 # correct SSSR count
190: ok 703 # ring membership passed
190: ok 704 # correct SSSR count
190: ok 705 # ring membership passed
190: ok 706 # correct SSSR count
190: ok 707 # ring membership passed
190: ok 708 # correct SSSR count
190: ok 709 # ring membership passed
190: ok 710 # correct SSSR count
190: ok 711 # ring membership passed
190: ok 712 # correct SSSR count
190: ok 713 # ring membership passed
190: ok 714 # correct SSSR count
190: ok 715 # ring membership passed
190: ok 716 # correct SSSR count
190: ok 717 # ring membership passed
190: ok 718 # correct SSSR count
190: ok 719 # ring membership passed
190: ok 720 # correct SSSR count
190: ok 721 # ring membership passed
190: ok 722 # correct SSSR count
190: ok 723 # ring membership passed
190: ok 724 # correct SSSR count
190: ok 725 # ring membership passed
190: ok 726 # correct SSSR count
190: ok 727 # ring membership passed
190: ok 728 # correct SSSR count
190: ok 729 # ring membership passed
190: ok 730 # correct ring bond data
190: ok 731 # correct ring bond data
190: ok 732 # correct ring bond data
190: ok 733 # correct ring bond data
190: ok 734 # correct ring bond data
190: ok 735 # correct ring bond data
190: ok 736 # correct ring bond data
190: ok 737 # correct ring bond data
190: ok 738 # correct ring bond data
190: ok 739 # correct ring bond data
190: ok 740 # correct ring bond data
190: ok 741 # correct ring bond data
190: ok 742 # correct ring bond data
190: ok 743 # correct ring bond data
190: ok 744 # correct ring bond data
190: ok 745 # correct ring bond data
190: ok 746 # SSSR size matches reference
190: ok 747 # correct SSSR count
190: ok 748 # ring membership passed
190: ok 749 # correct SSSR count
190: ok 750 # ring membership passed
190: ok 751 # correct SSSR count
190: ok 752 # ring membership passed
190: ok 753 # correct SSSR count
190: ok 754 # ring membership passed
190: ok 755 # correct SSSR count
190: ok 756 # ring membership passed
190: ok 757 # correct SSSR count
190: ok 758 # ring membership passed
190: ok 759 # correct SSSR count
190: ok 760 # ring membership passed
190: ok 761 # correct SSSR count
190: ok 762 # ring membership passed
190: ok 763 # correct SSSR count
190: ok 764 # ring membership passed
190: ok 765 # correct SSSR count
190: ok 766 # ring membership passed
190: ok 767 # correct SSSR count
190: ok 768 # ring membership passed
190: ok 769 # correct SSSR count
190: ok 770 # ring membership passed
190: ok 771 # correct SSSR count
190: ok 772 # ring membership passed
190: ok 773 # correct SSSR count
190: ok 774 # ring membership passed
190: ok 775 # correct SSSR count
190: ok 776 # ring membership passed
190: ok 777 # correct ring bond data
190: ok 778 # correct ring bond data
190: ok 779 # correct ring bond data
190: ok 780 # correct ring bond data
190: ok 781 # correct ring bond data
190: ok 782 # correct ring bond data
190: ok 783 # correct ring bond data
190: ok 784 # correct ring bond data
190: ok 785 # correct ring bond data
190: ok 786 # correct ring bond data
190: ok 787 # correct ring bond data
190: ok 788 # correct ring bond data
190: ok 789 # correct ring bond data
190: ok 790 # correct ring bond data
190: ok 791 # correct ring bond data
190: ok 792 # correct ring bond data
190: ok 793 # correct ring bond data
190: ok 794 # SSSR size matches reference
190: ok 795 # correct SSSR count
190: ok 796 # ring membership passed
190: ok 797 # correct SSSR count
190: ok 798 # ring membership passed
190: ok 799 # correct SSSR count
190: ok 800 # ring membership passed
190: ok 801 # correct SSSR count
190: ok 802 # ring membership passed
190: ok 803 # correct SSSR count
190: ok 804 # ring membership passed
190: ok 805 # correct SSSR count
190: ok 806 # ring membership passed
190: ok 807 # correct SSSR count
190: ok 808 # ring membership passed
190: ok 809 # correct SSSR count
190: ok 810 # ring membership passed
190: ok 811 # correct SSSR count
190: ok 812 # ring membership passed
190: ok 813 # correct SSSR count
190: ok 814 # ring membership passed
190: ok 815 # correct SSSR count
190: ok 816 # ring membership passed
190: ok 817 # correct SSSR count
190: ok 818 # ring membership passed
190: ok 819 # correct SSSR count
190: ok 820 # ring membership passed
190: ok 821 # correct SSSR count
190: ok 822 # ring membership passed
190: ok 823 # correct SSSR count
190: ok 824 # ring membership passed
190: ok 825 # correct SSSR count
190: ok 826 # ring membership passed
190: ok 827 # correct ring bond data
190: ok 828 # correct ring bond data
190: ok 829 # correct ring bond data
190: ok 830 # correct ring bond data
190: ok 831 # correct ring bond data
190: ok 832 # correct ring bond data
190: ok 833 # correct ring bond data
190: ok 834 # correct ring bond data
190: ok 835 # correct ring bond data
190: ok 836 # correct ring bond data
190: ok 837 # correct ring bond data
190: ok 838 # correct ring bond data
190: ok 839 # correct ring bond data
190: ok 840 # correct ring bond data
190: ok 841 # correct ring bond data
190: ok 842 # correct ring bond data
190: ok 843 # correct ring bond data
190: ok 844 # correct ring bond data
190: ok 845 # correct ring bond data
190: ok 846 # correct ring bond data
190: ok 847 # correct ring bond data
190: ok 848 # correct ring bond data
190: ok 849 # SSSR size matches reference
190: ok 850 # correct SSSR count
190: ok 851 # ring membership passed
190: ok 852 # correct SSSR count
190: ok 853 # ring membership passed
190: ok 854 # correct SSSR count
190: ok 855 # ring membership passed
190: ok 856 # correct SSSR count
190: ok 857 # ring membership passed
190: ok 858 # correct SSSR count
190: ok 859 # ring membership passed
190: ok 860 # correct SSSR count
190: ok 861 # ring membership passed
190: ok 862 # correct SSSR count
190: ok 863 # ring membership passed
190: ok 864 # correct SSSR count
190: ok 865 # ring membership passed
190: ok 866 # correct SSSR count
190: ok 867 # ring membership passed
190: ok 868 # correct SSSR count
190: ok 869 # ring membership passed
190: ok 870 # correct SSSR count
190: ok 871 # ring membership passed
190: ok 872 # correct SSSR count
190: ok 873 # ring membership passed
190: ok 874 # correct SSSR count
190: ok 875 # ring membership passed
190: ok 876 # correct SSSR count
190: ok 877 # ring membership passed
190: ok 878 # correct SSSR count
190: ok 879 # ring membership passed
190: ok 880 # correct SSSR count
190: ok 881 # ring membership passed
190: ok 882 # correct SSSR count
190: ok 883 # ring membership passed
190: ok 884 # correct SSSR count
190: ok 885 # ring membership passed
190: ok 886 # correct SSSR count
190: ok 887 # ring membership passed
190: ok 888 # correct SSSR count
190: ok 889 # ring membership passed
190: ok 890 # correct ring bond data
190: ok 891 # correct ring bond data
190: ok 892 # correct ring bond data
190: ok 893 # correct ring bond data
190: ok 894 # correct ring bond data
190: ok 895 # correct ring bond data
190: ok 896 # correct ring bond data
190: ok 897 # correct ring bond data
190: ok 898 # correct ring bond data
190: ok 899 # correct ring bond data
190: ok 900 # correct ring bond data
190: ok 901 # correct ring bond data
190: ok 902 # correct ring bond data
190: ok 903 # correct ring bond data
190: ok 904 # correct ring bond data
190: ok 905 # correct ring bond data
190: ok 906 # correct ring bond data
190: ok 907 # correct ring bond data
190: ok 908 # correct ring bond data
190: ok 909 # correct ring bond data
190: ok 910 # correct ring bond data
190: ok 911 # correct ring bond data
190: ok 912 # correct ring bond data
190: ok 913 # SSSR size matches reference
190: ok 914 # correct SSSR count
190: ok 915 # ring membership passed
190: ok 916 # correct SSSR count
190: ok 917 # ring membership passed
190: ok 918 # correct SSSR count
190: ok 919 # ring membership passed
190: ok 920 # correct SSSR count
190: ok 921 # ring membership passed
190: ok 922 # correct SSSR count
190: ok 923 # ring membership passed
190: ok 924 # correct SSSR count
190: ok 925 # ring membership passed
190: ok 926 # correct SSSR count
190: ok 927 # ring membership passed
190: ok 928 # correct SSSR count
190: ok 929 # ring membership passed
190: ok 930 # correct SSSR count
190: ok 931 # ring membership passed
190: ok 932 # correct SSSR count
190: ok 933 # ring membership passed
190: ok 934 # correct SSSR count
190: ok 935 # ring membership passed
190: ok 936 # correct SSSR count
190: ok 937 # ring membership passed
190: ok 938 # correct SSSR count
190: ok 939 # ring membership passed
190: ok 940 # correct SSSR count
190: ok 941 # ring membership passed
190: ok 942 # correct SSSR count
190: ok 943 # ring membership passed
190: ok 944 # correct SSSR count
190: ok 945 # ring membership passed
190: ok 946 # correct SSSR count
190: ok 947 # ring membership passed
190: ok 948 # correct SSSR count
190: ok 949 # ring membership passed
190: ok 950 # correct SSSR count
190: ok 951 # ring membership passed
190: ok 952 # correct SSSR count
190: ok 953 # ring membership passed
190: ok 954 # correct SSSR count
190: ok 955 # ring membership passed
190: ok 956 # correct ring bond data
190: ok 957 # correct ring bond data
190: ok 958 # correct ring bond data
190: ok 959 # correct ring bond data
190: ok 960 # correct ring bond data
190: ok 961 # correct ring bond data
190: ok 962 # correct ring bond data
190: ok 963 # correct ring bond data
190: ok 964 # correct ring bond data
190: ok 965 # correct ring bond data
190: ok 966 # correct ring bond data
190: ok 967 # correct ring bond data
190: ok 968 # correct ring bond data
190: ok 969 # correct ring bond data
190: ok 970 # correct ring bond data
190: ok 971 # correct ring bond data
190: ok 972 # correct ring bond data
190: ok 973 # correct ring bond data
190: ok 974 # correct ring bond data
190: ok 975 # correct ring bond data
190: ok 976 # correct ring bond data
190: ok 977 # correct ring bond data
190: ok 978 # correct ring bond data
190: ok 979 # SSSR size matches reference
190: ok 980 # correct SSSR count
190: ok 981 # ring membership passed
190: ok 982 # correct SSSR count
190: ok 983 # ring membership passed
190: ok 984 # correct SSSR count
190: ok 985 # ring membership passed
190: ok 986 # correct SSSR count
190: ok 987 # ring membership passed
190: ok 988 # correct SSSR count
190: ok 989 # ring membership passed
190: ok 990 # correct SSSR count
190: ok 991 # ring membership passed
190: ok 992 # correct SSSR count
190: ok 993 # ring membership passed
190: ok 994 # correct SSSR count
190: ok 995 # ring membership passed
190: ok 996 # correct SSSR count
190: ok 997 # ring membership passed
190: ok 998 # correct SSSR count
190: ok 999 # ring membership passed
190: ok 1000 # correct SSSR count
190: ok 1001 # ring membership passed
190: ok 1002 # correct SSSR count
190: ok 1003 # ring membership passed
190: ok 1004 # correct SSSR count
190: ok 1005 # ring membership passed
190: ok 1006 # correct SSSR count
190: ok 1007 # ring membership passed
190: ok 1008 # correct SSSR count
190: ok 1009 # ring membership passed
190: ok 1010 # correct SSSR count
190: ok 1011 # ring membership passed
190: ok 1012 # correct SSSR count
190: ok 1013 # ring membership passed
190: ok 1014 # correct SSSR count
190: ok 1015 # ring membership passed
190: ok 1016 # correct SSSR count
190: ok 1017 # ring membership passed
190: ok 1018 # correct SSSR count
190: ok 1019 # ring membership passed
190: ok 1020 # correct SSSR count
190: ok 1021 # ring membership passed
190: ok 1022 # correct ring bond data
190: ok 1023 # correct ring bond data
190: ok 1024 # correct ring bond data
190: ok 1025 # correct ring bond data
190: ok 1026 # correct ring bond data
190: ok 1027 # correct ring bond data
190: ok 1028 # correct ring bond data
190: ok 1029 # correct ring bond data
190: ok 1030 # correct ring bond data
190: ok 1031 # correct ring bond data
190: ok 1032 # correct ring bond data
190: ok 1033 # correct ring bond data
190: ok 1034 # correct ring bond data
190: ok 1035 # correct ring bond data
190: ok 1036 # correct ring bond data
190: ok 1037 # correct ring bond data
190: ok 1038 # correct ring bond data
190: ok 1039 # correct ring bond data
190: ok 1040 # correct ring bond data
190: ok 1041 # correct ring bond data
190: ok 1042 # correct ring bond data
190: ok 1043 # correct ring bond data
190: ok 1044 # correct ring bond data
190: ok 1045 # SSSR size matches reference
190: ok 1046 # correct SSSR count
190: ok 1047 # ring membership passed
190: ok 1048 # correct SSSR count
190: ok 1049 # ring membership passed
190: ok 1050 # correct SSSR count
190: ok 1051 # ring membership passed
190: ok 1052 # correct SSSR count
190: ok 1053 # ring membership passed
190: ok 1054 # correct SSSR count
190: ok 1055 # ring membership passed
190: ok 1056 # correct SSSR count
190: ok 1057 # ring membership passed
190: ok 1058 # correct SSSR count
190: ok 1059 # ring membership passed
190: ok 1060 # correct SSSR count
190: ok 1061 # ring membership passed
190: ok 1062 # correct SSSR count
190: ok 1063 # ring membership passed
190: ok 1064 # correct SSSR count
190: ok 1065 # ring membership passed
190: ok 1066 # correct SSSR count
190: ok 1067 # ring membership passed
190: ok 1068 # correct SSSR count
190: ok 1069 # ring membership passed
190: ok 1070 # correct SSSR count
190: ok 1071 # ring membership passed
190: ok 1072 # correct SSSR count
190: ok 1073 # ring membership passed
190: ok 1074 # correct SSSR count
190: ok 1075 # ring membership passed
190: ok 1076 # correct SSSR count
190: ok 1077 # ring membership passed
190: ok 1078 # correct SSSR count
190: ok 1079 # ring membership passed
190: ok 1080 # correct SSSR count
190: ok 1081 # ring membership passed
190: ok 1082 # correct SSSR count
190: ok 1083 # ring membership passed
190: ok 1084 # correct SSSR count
190: ok 1085 # ring membership passed
190: ok 1086 # correct SSSR count
190: ok 1087 # ring membership passed
190: ok 1088 # correct ring bond data
190: ok 1089 # correct ring bond data
190: ok 1090 # correct ring bond data
190: ok 1091 # correct ring bond data
190: ok 1092 # correct ring bond data
190: ok 1093 # correct ring bond data
190: ok 1094 # correct ring bond data
190: ok 1095 # correct ring bond data
190: ok 1096 # correct ring bond data
190: ok 1097 # correct ring bond data
190: ok 1098 # correct ring bond data
190: ok 1099 # correct ring bond data
190: ok 1100 # correct ring bond data
190: ok 1101 # correct ring bond data
190: ok 1102 # correct ring bond data
190: ok 1103 # correct ring bond data
190: ok 1104 # correct ring bond data
190: ok 1105 # correct ring bond data
190: ok 1106 # SSSR size matches reference
190: ok 1107 # correct SSSR count
190: ok 1108 # ring membership passed
190: ok 1109 # correct SSSR count
190: ok 1110 # ring membership passed
190: ok 1111 # correct SSSR count
190: ok 1112 # ring membership passed
190: ok 1113 # correct SSSR count
190: ok 1114 # ring membership passed
190: ok 1115 # correct SSSR count
190: ok 1116 # ring membership passed
190: ok 1117 # correct SSSR count
190: ok 1118 # ring membership passed
190: ok 1119 # correct SSSR count
190: ok 1120 # ring membership passed
190: ok 1121 # correct SSSR count
190: ok 1122 # ring membership passed
190: ok 1123 # correct SSSR count
190: ok 1124 # ring membership passed
190: ok 1125 # correct SSSR count
190: ok 1126 # ring membership passed
190: ok 1127 # correct SSSR count
190: ok 1128 # ring membership passed
190: ok 1129 # correct SSSR count
190: ok 1130 # ring membership passed
190: ok 1131 # correct SSSR count
190: ok 1132 # ring membership passed
190: ok 1133 # correct SSSR count
190: ok 1134 # ring membership passed
190: ok 1135 # correct SSSR count
190: ok 1136 # ring membership passed
190: ok 1137 # correct SSSR count
190: ok 1138 # ring membership passed
190: ok 1139 # correct ring bond data
190: ok 1140 # correct ring bond data
190: ok 1141 # correct ring bond data
190: ok 1142 # correct ring bond data
190: ok 1143 # correct ring bond data
190: ok 1144 # correct ring bond data
190: ok 1145 # correct ring bond data
190: ok 1146 # correct ring bond data
190: ok 1147 # correct ring bond data
190: ok 1148 # correct ring bond data
190: ok 1149 # correct ring bond data
190: ok 1150 # correct ring bond data
190: ok 1151 # correct ring bond data
190: ok 1152 # correct ring bond data
190: ok 1153 # correct ring bond data
190: ok 1154 # correct ring bond data
190: ok 1155 # correct ring bond data
190: ok 1156 # correct ring bond data
190: ok 1157 # correct ring bond data
190: ok 1158 # correct ring bond data
190: ok 1159 # SSSR size matches reference
190: ok 1160 # correct SSSR count
190: ok 1161 # ring membership passed
190: ok 1162 # correct SSSR count
190: ok 1163 # ring membership passed
190: ok 1164 # correct SSSR count
190: ok 1165 # ring membership passed
190: ok 1166 # correct SSSR count
190: ok 1167 # ring membership passed
190: ok 1168 # correct SSSR count
190: ok 1169 # ring membership passed
190: ok 1170 # correct SSSR count
190: ok 1171 # ring membership passed
190: ok 1172 # correct SSSR count
190: ok 1173 # ring membership passed
190: ok 1174 # correct SSSR count
190: ok 1175 # ring membership passed
190: ok 1176 # correct SSSR count
190: ok 1177 # ring membership passed
190: ok 1178 # correct SSSR count
190: ok 1179 # ring membership passed
190: ok 1180 # correct SSSR count
190: ok 1181 # ring membership passed
190: ok 1182 # correct SSSR count
190: ok 1183 # ring membership passed
190: ok 1184 # correct SSSR count
190: ok 1185 # ring membership passed
190: ok 1186 # correct SSSR count
190: ok 1187 # ring membership passed
190: ok 1188 # correct SSSR count
190: ok 1189 # ring membership passed
190: ok 1190 # correct SSSR count
190: ok 1191 # ring membership passed
190: ok 1192 # correct SSSR count
190: ok 1193 # ring membership passed
190: ok 1194 # correct SSSR count
190: ok 1195 # ring membership passed
190: ok 1196 # correct ring bond data
190: ok 1197 # correct ring bond data
190: ok 1198 # correct ring bond data
190: ok 1199 # correct ring bond data
190: ok 1200 # correct ring bond data
190: ok 1201 # correct ring bond data
190: ok 1202 # correct ring bond data
190: ok 1203 # correct ring bond data
190: ok 1204 # correct ring bond data
190: ok 1205 # correct ring bond data
190: ok 1206 # SSSR size matches reference
190: ok 1207 # correct SSSR count
190: ok 1208 # ring membership passed
190: ok 1209 # correct SSSR count
190: ok 1210 # ring membership passed
190: ok 1211 # correct SSSR count
190: ok 1212 # ring membership passed
190: ok 1213 # correct SSSR count
190: ok 1214 # ring membership passed
190: ok 1215 # correct SSSR count
190: ok 1216 # ring membership passed
190: ok 1217 # correct SSSR count
190: ok 1218 # ring membership passed
190: ok 1219 # correct SSSR count
190: ok 1220 # ring membership passed
190: ok 1221 # correct SSSR count
190: ok 1222 # ring membership passed
190: ok 1223 # correct SSSR count
190: ok 1224 # ring membership passed
190: ok 1225 # correct SSSR count
190: ok 1226 # ring membership passed
190: ok 1227 # correct SSSR count
190: ok 1228 # ring membership passed
190: ok 1229 # correct ring bond data
190: ok 1230 # correct ring bond data
190: ok 1231 # correct ring bond data
190: ok 1232 # correct ring bond data
190: ok 1233 # correct ring bond data
190: ok 1234 # correct ring bond data
190: ok 1235 # correct ring bond data
190: ok 1236 # correct ring bond data
190: ok 1237 # correct ring bond data
190: ok 1238 # correct ring bond data
190: ok 1239 # correct ring bond data
190: ok 1240 # correct ring bond data
190: ok 1241 # correct ring bond data
190: ok 1242 # correct ring bond data
190: ok 1243 # correct ring bond data
190: ok 1244 # correct ring bond data
190: ok 1245 # correct ring bond data
190: ok 1246 # correct ring bond data
190: ok 1247 # correct ring bond data
190: ok 1248 # correct ring bond data
190: ok 1249 # correct ring bond data
190: ok 1250 # correct ring bond data
190: ok 1251 # SSSR size matches reference
190: ok 1252 # correct SSSR count
190: ok 1253 # ring membership passed
190: ok 1254 # correct SSSR count
190: ok 1255 # ring membership passed
190: ok 1256 # correct SSSR count
190: ok 1257 # ring membership passed
190: ok 1258 # correct SSSR count
190: ok 1259 # ring membership passed
190: ok 1260 # correct SSSR count
190: ok 1261 # ring membership passed
190: ok 1262 # correct SSSR count
190: ok 1263 # ring membership passed
190: ok 1264 # correct SSSR count
190: ok 1265 # ring membership passed
190: ok 1266 # correct SSSR count
190: ok 1267 # ring membership passed
190: ok 1268 # correct SSSR count
190: ok 1269 # ring membership passed
190: ok 1270 # correct SSSR count
190: ok 1271 # ring membership passed
190: ok 1272 # correct SSSR count
190: ok 1273 # ring membership passed
190: ok 1274 # correct SSSR count
190: ok 1275 # ring membership passed
190: ok 1276 # correct SSSR count
190: ok 1277 # ring membership passed
190: ok 1278 # correct SSSR count
190: ok 1279 # ring membership passed
190: ok 1280 # correct SSSR count
190: ok 1281 # ring membership passed
190: ok 1282 # correct SSSR count
190: ok 1283 # ring membership passed
190: ok 1284 # correct SSSR count
190: ok 1285 # ring membership passed
190: ok 1286 # correct SSSR count
190: ok 1287 # ring membership passed
190: ok 1288 # correct SSSR count
190: ok 1289 # ring membership passed
190: ok 1290 # correct SSSR count
190: ok 1291 # ring membership passed
190: ok 1292 # correct ring bond data
190: ok 1293 # correct ring bond data
190: ok 1294 # correct ring bond data
190: ok 1295 # correct ring bond data
190: ok 1296 # correct ring bond data
190: ok 1297 # correct ring bond data
190: ok 1298 # correct ring bond data
190: ok 1299 # correct ring bond data
190: ok 1300 # correct ring bond data
190: ok 1301 # correct ring bond data
190: ok 1302 # correct ring bond data
190: ok 1303 # correct ring bond data
190: ok 1304 # correct ring bond data
190: ok 1305 # correct ring bond data
190: ok 1306 # SSSR size matches reference
190: ok 1307 # correct SSSR count
190: ok 1308 # ring membership passed
190: ok 1309 # correct SSSR count
190: ok 1310 # ring membership passed
190: ok 1311 # correct SSSR count
190: ok 1312 # ring membership passed
190: ok 1313 # correct SSSR count
190: ok 1314 # ring membership passed
190: ok 1315 # correct SSSR count
190: ok 1316 # ring membership passed
190: ok 1317 # correct SSSR count
190: ok 1318 # ring membership passed
190: ok 1319 # correct SSSR count
190: ok 1320 # ring membership passed
190: ok 1321 # correct SSSR count
190: ok 1322 # ring membership passed
190: ok 1323 # correct SSSR count
190: ok 1324 # ring membership passed
190: ok 1325 # correct SSSR count
190: ok 1326 # ring membership passed
190: ok 1327 # correct SSSR count
190: ok 1328 # ring membership passed
190: ok 1329 # correct SSSR count
190: ok 1330 # ring membership passed
190: ok 1331 # correct SSSR count
190: ok 1332 # ring membership passed
190: ok 1333 # correct ring bond data
190: ok 1334 # correct ring bond data
190: ok 1335 # correct ring bond data
190: ok 1336 # correct ring bond data
190: ok 1337 # correct ring bond data
190: ok 1338 # correct ring bond data
190: ok 1339 # correct ring bond data
190: ok 1340 # correct ring bond data
190: ok 1341 # correct ring bond data
190: ok 1342 # correct ring bond data
190: ok 1343 # correct ring bond data
190: ok 1344 # correct ring bond data
190: ok 1345 # correct ring bond data
190: ok 1346 # correct ring bond data
190: ok 1347 # correct ring bond data
190: ok 1348 # correct ring bond data
190: ok 1349 # correct ring bond data
190: ok 1350 # correct ring bond data
190: ok 1351 # correct ring bond data
190: ok 1352 # correct ring bond data
190: ok 1353 # correct ring bond data
190: ok 1354 # correct ring bond data
190: ok 1355 # correct ring bond data
190: ok 1356 # correct ring bond data
190: ok 1357 # SSSR size matches reference
190: ok 1358 # correct SSSR count
190: ok 1359 # ring membership passed
190: ok 1360 # correct SSSR count
190: ok 1361 # ring membership passed
190: ok 1362 # correct SSSR count
190: ok 1363 # ring membership passed
190: ok 1364 # correct SSSR count
190: ok 1365 # ring membership passed
190: ok 1366 # correct SSSR count
190: ok 1367 # ring membership passed
190: ok 1368 # correct SSSR count
190: ok 1369 # ring membership passed
190: ok 1370 # correct SSSR count
190: ok 1371 # ring membership passed
190: ok 1372 # correct SSSR count
190: ok 1373 # ring membership passed
190: ok 1374 # correct SSSR count
190: ok 1375 # ring membership passed
190: ok 1376 # correct SSSR count
190: ok 1377 # ring membership passed
190: ok 1378 # correct SSSR count
190: ok 1379 # ring membership passed
190: ok 1380 # correct SSSR count
190: ok 1381 # ring membership passed
190: ok 1382 # correct SSSR count
190: ok 1383 # ring membership passed
190: ok 1384 # correct SSSR count
190: ok 1385 # ring membership passed
190: ok 1386 # correct SSSR count
190: ok 1387 # ring membership passed
190: ok 1388 # correct SSSR count
190: ok 1389 # ring membership passed
190: ok 1390 # correct SSSR count
190: ok 1391 # ring membership passed
190: ok 1392 # correct SSSR count
190: ok 1393 # ring membership passed
190: ok 1394 # correct SSSR count
190: ok 1395 # ring membership passed
190: ok 1396 # correct SSSR count
190: ok 1397 # ring membership passed
190: ok 1398 # correct SSSR count
190: ok 1399 # ring membership passed
190: ok 1400 # correct SSSR count
190: ok 1401 # ring membership passed
190: ok 1402 # correct ring bond data
190: ok 1403 # correct ring bond data
190: ok 1404 # correct ring bond data
190: ok 1405 # correct ring bond data
190: ok 1406 # correct ring bond data
190: ok 1407 # correct ring bond data
190: ok 1408 # correct ring bond data
190: ok 1409 # correct ring bond data
190: ok 1410 # correct ring bond data
190: ok 1411 # correct ring bond data
190: ok 1412 # correct ring bond data
190: ok 1413 # correct ring bond data
190: ok 1414 # correct ring bond data
190: ok 1415 # correct ring bond data
190: ok 1416 # correct ring bond data
190: ok 1417 # correct ring bond data
190: ok 1418 # correct ring bond data
190: ok 1419 # SSSR size matches reference
190: ok 1420 # correct SSSR count
190: ok 1421 # ring membership passed
190: ok 1422 # correct SSSR count
190: ok 1423 # ring membership passed
190: ok 1424 # correct SSSR count
190: ok 1425 # ring membership passed
190: ok 1426 # correct SSSR count
190: ok 1427 # ring membership passed
190: ok 1428 # correct SSSR count
190: ok 1429 # ring membership passed
190: ok 1430 # correct SSSR count
190: ok 1431 # ring membership passed
190: ok 1432 # correct SSSR count
190: ok 1433 # ring membership passed
190: ok 1434 # correct SSSR count
190: ok 1435 # ring membership passed
190: ok 1436 # correct SSSR count
190: ok 1437 # ring membership passed
190: ok 1438 # correct SSSR count
190: ok 1439 # ring membership passed
190: ok 1440 # correct SSSR count
190: ok 1441 # ring membership passed
190: ok 1442 # correct SSSR count
190: ok 1443 # ring membership passed
190: ok 1444 # correct SSSR count
190: ok 1445 # ring membership passed
190: ok 1446 # correct SSSR count
190: ok 1447 # ring membership passed
190: ok 1448 # correct SSSR count
190: ok 1449 # ring membership passed
190: ok 1450 # correct SSSR count
190: ok 1451 # ring membership passed
190: ok 1452 # correct SSSR count
190: ok 1453 # ring membership passed
190: ok 1454 # correct ring bond data
190: ok 1455 # correct ring bond data
190: ok 1456 # correct ring bond data
190: ok 1457 # correct ring bond data
190: ok 1458 # correct ring bond data
190: ok 1459 # correct ring bond data
190: ok 1460 # correct ring bond data
190: ok 1461 # correct ring bond data
190: ok 1462 # correct ring bond data
190: ok 1463 # correct ring bond data
190: ok 1464 # correct ring bond data
190: ok 1465 # correct ring bond data
190: ok 1466 # correct ring bond data
190: ok 1467 # correct ring bond data
190: ok 1468 # correct ring bond data
190: ok 1469 # correct ring bond data
190: ok 1470 # SSSR size matches reference
190: ok 1471 # correct SSSR count
190: ok 1472 # ring membership passed
190: ok 1473 # correct SSSR count
190: ok 1474 # ring membership passed
190: ok 1475 # correct SSSR count
190: ok 1476 # ring membership passed
190: ok 1477 # correct SSSR count
190: ok 1478 # ring membership passed
190: ok 1479 # correct SSSR count
190: ok 1480 # ring membership passed
190: ok 1481 # correct SSSR count
190: ok 1482 # ring membership passed
190: ok 1483 # correct SSSR count
190: ok 1484 # ring membership passed
190: ok 1485 # correct SSSR count
190: ok 1486 # ring membership passed
190: ok 1487 # correct SSSR count
190: ok 1488 # ring membership passed
190: ok 1489 # correct SSSR count
190: ok 1490 # ring membership passed
190: ok 1491 # correct SSSR count
190: ok 1492 # ring membership passed
190: ok 1493 # correct SSSR count
190: ok 1494 # ring membership passed
190: ok 1495 # correct SSSR count
190: ok 1496 # ring membership passed
190: ok 1497 # correct SSSR count
190: ok 1498 # ring membership passed
190: ok 1499 # correct SSSR count
190: ok 1500 # ring membership passed
190: ok 1501 # correct ring bond data
190: ok 1502 # correct ring bond data
190: ok 1503 # correct ring bond data
190: ok 1504 # correct ring bond data
190: ok 1505 # correct ring bond data
190: ok 1506 # correct ring bond data
190: ok 1507 # correct ring bond data
190: ok 1508 # correct ring bond data
190: ok 1509 # correct ring bond data
190: ok 1510 # correct ring bond data
190: ok 1511 # correct ring bond data
190: ok 1512 # correct ring bond data
190: ok 1513 # correct ring bond data
190: ok 1514 # correct ring bond data
190: ok 1515 # correct ring bond data
190: ok 1516 # correct ring bond data
190: ok 1517 # correct ring bond data
190: ok 1518 # correct ring bond data
190: ok 1519 # correct ring bond data
190: ok 1520 # SSSR size matches reference
190: ok 1521 # correct SSSR count
190: ok 1522 # ring membership passed
190: ok 1523 # correct SSSR count
190: ok 1524 # ring membership passed
190: ok 1525 # correct SSSR count
190: ok 1526 # ring membership passed
190: ok 1527 # correct SSSR count
190: ok 1528 # ring membership passed
190: ok 1529 # correct SSSR count
190: ok 1530 # ring membership passed
190: ok 1531 # correct SSSR count
190: ok 1532 # ring membership passed
190: ok 1533 # correct SSSR count
190: ok 1534 # ring membership passed
190: ok 1535 # correct SSSR count
190: ok 1536 # ring membership passed
190: ok 1537 # correct SSSR count
190: ok 1538 # ring membership passed
190: ok 1539 # correct SSSR count
190: ok 1540 # ring membership passed
190: ok 1541 # correct SSSR count
190: ok 1542 # ring membership passed
190: ok 1543 # correct SSSR count
190: ok 1544 # ring membership passed
190: ok 1545 # correct SSSR count
190: ok 1546 # ring membership passed
190: ok 1547 # correct SSSR count
190: ok 1548 # ring membership passed
190: ok 1549 # correct SSSR count
190: ok 1550 # ring membership passed
190: ok 1551 # correct SSSR count
190: ok 1552 # ring membership passed
190: ok 1553 # correct SSSR count
190: ok 1554 # ring membership passed
190: ok 1555 # correct SSSR count
190: ok 1556 # ring membership passed
190: ok 1557 # correct ring bond data
190: ok 1558 # correct ring bond data
190: ok 1559 # correct ring bond data
190: ok 1560 # correct ring bond data
190: ok 1561 # correct ring bond data
190: ok 1562 # correct ring bond data
190: ok 1563 # correct ring bond data
190: ok 1564 # correct ring bond data
190: ok 1565 # correct ring bond data
190: ok 1566 # correct ring bond data
190: ok 1567 # correct ring bond data
190: ok 1568 # SSSR size matches reference
190: ok 1569 # correct SSSR count
190: ok 1570 # ring membership passed
190: ok 1571 # correct SSSR count
190: ok 1572 # ring membership passed
190: ok 1573 # correct SSSR count
190: ok 1574 # ring membership passed
190: ok 1575 # correct SSSR count
190: ok 1576 # ring membership passed
190: ok 1577 # correct SSSR count
190: ok 1578 # ring membership passed
190: ok 1579 # correct SSSR count
190: ok 1580 # ring membership passed
190: ok 1581 # correct SSSR count
190: ok 1582 # ring membership passed
190: ok 1583 # correct SSSR count
190: ok 1584 # ring membership passed
190: ok 1585 # correct SSSR count
190: ok 1586 # ring membership passed
190: ok 1587 # correct SSSR count
190: ok 1588 # ring membership passed
190: ok 1589 # correct SSSR count
190: ok 1590 # ring membership passed
190: ok 1591 # correct SSSR count
190: ok 1592 # ring membership passed
190: ok 1593 # correct ring bond data
190: ok 1594 # correct ring bond data
190: ok 1595 # correct ring bond data
190: ok 1596 # correct ring bond data
190: ok 1597 # correct ring bond data
190: ok 1598 # correct ring bond data
190: ok 1599 # correct ring bond data
190: ok 1600 # correct ring bond data
190: ok 1601 # correct ring bond data
190: ok 1602 # correct ring bond data
190: ok 1603 # correct ring bond data
190: ok 1604 # correct ring bond data
190: ok 1605 # correct ring bond data
190: ok 1606 # correct ring bond data
190: ok 1607 # correct ring bond data
190: ok 1608 # correct ring bond data
190: ok 1609 # correct ring bond data
190: ok 1610 # correct ring bond data
190: ok 1611 # correct ring bond data
190: ok 1612 # SSSR size matches reference
190: ok 1613 # correct SSSR count
190: ok 1614 # ring membership passed
190: ok 1615 # correct SSSR count
190: ok 1616 # ring membership passed
190: ok 1617 # correct SSSR count
190: ok 1618 # ring membership passed
190: ok 1619 # correct SSSR count
190: ok 1620 # ring membership passed
190: ok 1621 # correct SSSR count
190: ok 1622 # ring membership passed
190: ok 1623 # correct SSSR count
190: ok 1624 # ring membership passed
190: ok 1625 # correct SSSR count
190: ok 1626 # ring membership passed
190: ok 1627 # correct SSSR count
190: ok 1628 # ring membership passed
190: ok 1629 # correct SSSR count
190: ok 1630 # ring membership passed
190: ok 1631 # correct SSSR count
190: ok 1632 # ring membership passed
190: ok 1633 # correct SSSR count
190: ok 1634 # ring membership passed
190: ok 1635 # correct SSSR count
190: ok 1636 # ring membership passed
190: ok 1637 # correct SSSR count
190: ok 1638 # ring membership passed
190: ok 1639 # correct SSSR count
190: ok 1640 # ring membership passed
190: ok 1641 # correct SSSR count
190: ok 1642 # ring membership passed
190: ok 1643 # correct SSSR count
190: ok 1644 # ring membership passed
190: ok 1645 # correct SSSR count
190: ok 1646 # ring membership passed
190: ok 1647 # correct SSSR count
190: ok 1648 # ring membership passed
190: ok 1649 # correct SSSR count
190: ok 1650 # ring membership passed
190: ok 1651 # correct ring bond data
190: ok 1652 # correct ring bond data
190: ok 1653 # correct ring bond data
190: ok 1654 # correct ring bond data
190: ok 1655 # correct ring bond data
190: ok 1656 # correct ring bond data
190: ok 1657 # correct ring bond data
190: ok 1658 # correct ring bond data
190: ok 1659 # correct ring bond data
190: ok 1660 # correct ring bond data
190: ok 1661 # correct ring bond data
190: ok 1662 # correct ring bond data
190: ok 1663 # correct ring bond data
190: ok 1664 # correct ring bond data
190: ok 1665 # correct ring bond data
190: ok 1666 # correct ring bond data
190: ok 1667 # correct ring bond data
190: ok 1668 # correct ring bond data
190: ok 1669 # correct ring bond data
190: ok 1670 # SSSR size matches reference
190: ok 1671 # correct SSSR count
190: ok 1672 # ring membership passed
190: ok 1673 # correct SSSR count
190: ok 1674 # ring membership passed
190: ok 1675 # correct SSSR count
190: ok 1676 # ring membership passed
190: ok 1677 # correct SSSR count
190: ok 1678 # ring membership passed
190: ok 1679 # correct SSSR count
190: ok 1680 # ring membership passed
190: ok 1681 # correct SSSR count
190: ok 1682 # ring membership passed
190: ok 1683 # correct SSSR count
190: ok 1684 # ring membership passed
190: ok 1685 # correct SSSR count
190: ok 1686 # ring membership passed
190: ok 1687 # correct SSSR count
190: ok 1688 # ring membership passed
190: ok 1689 # correct SSSR count
190: ok 1690 # ring membership passed
190: ok 1691 # correct SSSR count
190: ok 1692 # ring membership passed
190: ok 1693 # correct SSSR count
190: ok 1694 # ring membership passed
190: ok 1695 # correct SSSR count
190: ok 1696 # ring membership passed
190: ok 1697 # correct SSSR count
190: ok 1698 # ring membership passed
190: ok 1699 # correct SSSR count
190: ok 1700 # ring membership passed
190: ok 1701 # correct SSSR count
190: ok 1702 # ring membership passed
190: ok 1703 # correct SSSR count
190: ok 1704 # ring membership passed
190: ok 1705 # correct SSSR count
190: ok 1706 # ring membership passed
190: ok 1707 # correct SSSR count
190: ok 1708 # ring membership passed
190: ok 1709 # correct ring bond data
190: ok 1710 # correct ring bond data
190: ok 1711 # correct ring bond data
190: ok 1712 # correct ring bond data
190: ok 1713 # correct ring bond data
190: ok 1714 # correct ring bond data
190: ok 1715 # correct ring bond data
190: ok 1716 # correct ring bond data
190: ok 1717 # correct ring bond data
190: ok 1718 # correct ring bond data
190: ok 1719 # correct ring bond data
190: ok 1720 # correct ring bond data
190: ok 1721 # correct ring bond data
190: ok 1722 # correct ring bond data
190: ok 1723 # correct ring bond data
190: ok 1724 # correct ring bond data
190: ok 1725 # correct ring bond data
190: ok 1726 # correct ring bond data
190: ok 1727 # correct ring bond data
190: ok 1728 # correct ring bond data
190: ok 1729 # correct ring bond data
190: ok 1730 # correct ring bond data
190: ok 1731 # correct ring bond data
190: ok 1732 # SSSR size matches reference
190: ok 1733 # correct SSSR count
190: ok 1734 # ring membership passed
190: ok 1735 # correct SSSR count
190: ok 1736 # ring membership passed
190: ok 1737 # correct SSSR count
190: ok 1738 # ring membership passed
190: ok 1739 # correct SSSR count
190: ok 1740 # ring membership passed
190: ok 1741 # correct SSSR count
190: ok 1742 # ring membership passed
190: ok 1743 # correct SSSR count
190: ok 1744 # ring membership passed
190: ok 1745 # correct SSSR count
190: ok 1746 # ring membership passed
190: ok 1747 # correct SSSR count
190: ok 1748 # ring membership passed
190: ok 1749 # correct SSSR count
190: ok 1750 # ring membership passed
190: ok 1751 # correct SSSR count
190: ok 1752 # ring membership passed
190: ok 1753 # correct SSSR count
190: ok 1754 # ring membership passed
190: ok 1755 # correct SSSR count
190: ok 1756 # ring membership passed
190: ok 1757 # correct SSSR count
190: ok 1758 # ring membership passed
190: ok 1759 # correct SSSR count
190: ok 1760 # ring membership passed
190: ok 1761 # correct SSSR count
190: ok 1762 # ring membership passed
190: ok 1763 # correct SSSR count
190: ok 1764 # ring membership passed
190: ok 1765 # correct SSSR count
190: ok 1766 # ring membership passed
190: ok 1767 # correct SSSR count
190: ok 1768 # ring membership passed
190: ok 1769 # correct SSSR count
190: ok 1770 # ring membership passed
190: ok 1771 # correct SSSR count
190: ok 1772 # ring membership passed
190: ok 1773 # correct SSSR count
190: ok 1774 # ring membership passed
190: ok 1775 # correct ring bond data
190: ok 1776 # correct ring bond data
190: ok 1777 # correct ring bond data
190: ok 1778 # correct ring bond data
190: ok 1779 # correct ring bond data
190: ok 1780 # correct ring bond data
190: ok 1781 # correct ring bond data
190: ok 1782 # correct ring bond data
190: ok 1783 # correct ring bond data
190: ok 1784 # correct ring bond data
190: ok 1785 # correct ring bond data
190: ok 1786 # correct ring bond data
190: ok 1787 # correct ring bond data
190: ok 1788 # correct ring bond data
190: ok 1789 # correct ring bond data
190: ok 1790 # correct ring bond data
190: ok 1791 # SSSR size matches reference
190: ok 1792 # correct SSSR count
190: ok 1793 # ring membership passed
190: ok 1794 # correct SSSR count
190: ok 1795 # ring membership passed
190: ok 1796 # correct SSSR count
190: ok 1797 # ring membership passed
190: ok 1798 # correct SSSR count
190: ok 1799 # ring membership passed
190: ok 1800 # correct SSSR count
190: ok 1801 # ring membership passed
190: ok 1802 # correct SSSR count
190: ok 1803 # ring membership passed
190: ok 1804 # correct SSSR count
190: ok 1805 # ring membership passed
190: ok 1806 # correct SSSR count
190: ok 1807 # ring membership passed
190: ok 1808 # correct SSSR count
190: ok 1809 # ring membership passed
190: ok 1810 # correct SSSR count
190: ok 1811 # ring membership passed
190: ok 1812 # correct SSSR count
190: ok 1813 # ring membership passed
190: ok 1814 # correct SSSR count
190: ok 1815 # ring membership passed
190: ok 1816 # correct SSSR count
190: ok 1817 # ring membership passed
190: ok 1818 # correct SSSR count
190: ok 1819 # ring membership passed
190: ok 1820 # correct SSSR count
190: ok 1821 # ring membership passed
190: ok 1822 # correct SSSR count
190: ok 1823 # ring membership passed
190: ok 1824 # correct ring bond data
190: ok 1825 # correct ring bond data
190: ok 1826 # correct ring bond data
190: ok 1827 # correct ring bond data
190: ok 1828 # correct ring bond data
190: ok 1829 # correct ring bond data
190: ok 1830 # correct ring bond data
190: ok 1831 # correct ring bond data
190: ok 1832 # correct ring bond data
190: ok 1833 # correct ring bond data
190: ok 1834 # correct ring bond data
190: ok 1835 # correct ring bond data
190: ok 1836 # correct ring bond data
190: ok 1837 # correct ring bond data
190: ok 1838 # correct ring bond data
190: ok 1839 # correct ring bond data
190: ok 1840 # SSSR size matches reference
190: ok 1841 # correct SSSR count
190: ok 1842 # ring membership passed
190: ok 1843 # correct SSSR count
190: ok 1844 # ring membership passed
190: ok 1845 # correct SSSR count
190: ok 1846 # ring membership passed
190: ok 1847 # correct SSSR count
190: ok 1848 # ring membership passed
190: ok 1849 # correct SSSR count
190: ok 1850 # ring membership passed
190: ok 1851 # correct SSSR count
190: ok 1852 # ring membership passed
190: ok 1853 # correct SSSR count
190: ok 1854 # ring membership passed
190: ok 1855 # correct SSSR count
190: ok 1856 # ring membership passed
190: ok 1857 # correct SSSR count
190: ok 1858 # ring membership passed
190: ok 1859 # correct SSSR count
190: ok 1860 # ring membership passed
190: ok 1861 # correct SSSR count
190: ok 1862 # ring membership passed
190: ok 1863 # correct SSSR count
190: ok 1864 # ring membership passed
190: ok 1865 # correct SSSR count
190: ok 1866 # ring membership passed
190: ok 1867 # correct SSSR count
190: ok 1868 # ring membership passed
190: ok 1869 # correct SSSR count
190: ok 1870 # ring membership passed
190: ok 1871 # correct SSSR count
190: ok 1872 # ring membership passed
190: ok 1873 # correct ring bond data
190: ok 1874 # correct ring bond data
190: ok 1875 # correct ring bond data
190: ok 1876 # correct ring bond data
190: ok 1877 # correct ring bond data
190: ok 1878 # correct ring bond data
190: ok 1879 # correct ring bond data
190: ok 1880 # correct ring bond data
190: ok 1881 # correct ring bond data
190: ok 1882 # correct ring bond data
190: ok 1883 # correct ring bond data
190: ok 1884 # correct ring bond data
190: ok 1885 # correct ring bond data
190: ok 1886 # correct ring bond data
190: ok 1887 # correct ring bond data
190: ok 1888 # correct ring bond data
190: ok 1889 # SSSR size matches reference
190: ok 1890 # correct SSSR count
190: ok 1891 # ring membership passed
190: ok 1892 # correct SSSR count
190: ok 1893 # ring membership passed
190: ok 1894 # correct SSSR count
190: ok 1895 # ring membership passed
190: ok 1896 # correct SSSR count
190: ok 1897 # ring membership passed
190: ok 1898 # correct SSSR count
190: ok 1899 # ring membership passed
190: ok 1900 # correct SSSR count
190: ok 1901 # ring membership passed
190: ok 1902 # correct SSSR count
190: ok 1903 # ring membership passed
190: ok 1904 # correct SSSR count
190: ok 1905 # ring membership passed
190: ok 1906 # correct SSSR count
190: ok 1907 # ring membership passed
190: ok 1908 # correct SSSR count
190: ok 1909 # ring membership passed
190: ok 1910 # correct SSSR count
190: ok 1911 # ring membership passed
190: ok 1912 # correct SSSR count
190: ok 1913 # ring membership passed
190: ok 1914 # correct SSSR count
190: ok 1915 # ring membership passed
190: ok 1916 # correct SSSR count
190: ok 1917 # ring membership passed
190: ok 1918 # correct SSSR count
190: ok 1919 # ring membership passed
190: ok 1920 # correct SSSR count
190: ok 1921 # ring membership passed
190: ok 1922 # correct ring bond data
190: ok 1923 # correct ring bond data
190: ok 1924 # correct ring bond data
190: ok 1925 # correct ring bond data
190: ok 1926 # correct ring bond data
190: ok 1927 # correct ring bond data
190: ok 1928 # correct ring bond data
190: ok 1929 # correct ring bond data
190: ok 1930 # correct ring bond data
190: ok 1931 # correct ring bond data
190: ok 1932 # correct ring bond data
190: ok 1933 # correct ring bond data
190: ok 1934 # correct ring bond data
190: ok 1935 # correct ring bond data
190: ok 1936 # correct ring bond data
190: ok 1937 # correct ring bond data
190: ok 1938 # SSSR size matches reference
190: ok 1939 # correct SSSR count
190: ok 1940 # ring membership passed
190: ok 1941 # correct SSSR count
190: ok 1942 # ring membership passed
190: ok 1943 # correct SSSR count
190: ok 1944 # ring membership passed
190: ok 1945 # correct SSSR count
190: ok 1946 # ring membership passed
190: ok 1947 # correct SSSR count
190: ok 1948 # ring membership passed
190: ok 1949 # correct SSSR count
190: ok 1950 # ring membership passed
190: ok 1951 # correct SSSR count
190: ok 1952 # ring membership passed
190: ok 1953 # correct SSSR count
190: ok 1954 # ring membership passed
190: ok 1955 # correct SSSR count
190: ok 1956 # ring membership passed
190: ok 1957 # correct SSSR count
190: ok 1958 # ring membership passed
190: ok 1959 # correct SSSR count
190: ok 1960 # ring membership passed
190: ok 1961 # correct SSSR count
190: ok 1962 # ring membership passed
190: ok 1963 # correct SSSR count
190: ok 1964 # ring membership passed
190: ok 1965 # correct SSSR count
191: 
191: # Testing SMARTS...  
191: ok 1 # molecule passed tests
191: ok 2 # molecule passed tests
191: ok 3 # molecule passed tests
191: ok 4 # molecule passed tests
191: ok 5 # molecule passed tests
191: ok 6 # molecule passed tests
191: ok 7 # molecule passed tests
191: ok 8 # molecule passed tests
191: ok 9 # molecule passed tests
191: ok 10 # molecule passed tests
191: ok 11 # molecule passed tests
191: ok 12 # molecule passed tests
191: ok 13 # molecule passed tests
191: ok 14 # molecule passed tests
191: ok 15 # molecule passed tests
191: ok 16 # molecule passed tests
191: ok 17 # molecule passed tests
191: ok 18 # molecule passed tests
191: ok 19 # molecule passed tests
191: ok 20 # molecule passed tests
191: ok 21 # molecule passed tests
191: ok 22 # molecule passed tests
191: ok 23 # molecule passed tests
191: ok 24 # molecule passed tests
191: ok 25 # molecule passed tests
191: ok 26 # molecule passed tests
191: ok 27 # molecule passed tests
191: ok 28 # molecule passed tests
191: ok 29 # molecule passed tests
191: ok 30 # molecule passed tests
191: ok 31 # molecule passed tests
191: ok 32 # molecule passed tests
191: ok 33 # molecule passed tests
191: ok 34 # molecule passed tests
191: ok 35 # molecule passed tests
191: ok 36 # molecule passed tests
191: ok 37 # molecule passed tests
191: ok 38 # molecule passed tests
191: ok 39 # molecule passed tests
191: ok 40 # molecule passed tests
191: ok 41 # molecule passed tests
191: ok 42 # molecule passed tests
191: ok 43 # molecule passed tests
191: ok 44 # molecule passed tests
191: ok 45 # molecule passed tests
191: ok 46 # molecule passed tests
191: ok 47 # molecule passed tests
191: ok 48 # molecule passed tests
191: ok 49 # molecule passed tests
191: ok 50 # molecule passed tests
191: ok 51 # molecule passed tests
191: ok 52 # molecule passed tests
191: ok 53 # molecule passed tests
191: ok 54 # molecule passed tests
191: ok 55 # molecule passed tests
191: ok 56 # molecule passed tests
191: ok 57 # molecule passed tests
191: ok 58 # molecule passed tests
191: ok 59 # molecule passed tests
191: ok 60 # molecule passed tests
191: ok 61 # molecule passed tests
191: ok 62 # molecule passed tests
191: ok 63 # molecule passed tests
191: ok 64 # molecule passed tests
191: ok 65 # molecule passed tests
191: ok 66 # molecule passed tests
191: ok 67 # molecule passed tests
191: ok 68 # molecule passed tests
191: ok 69 # molecule passed tests
191: ok 70 # molecule passed tests
191: ok 71 # molecule passed tests
191: ok 72 # molecule passed tests
191: ok 73 # molecule passed tests
191: ok 74 # molecule passed tests
191: ok 75 # molecule passed tests
191: ok 76 # molecule passed tests
191: ok 77 # molecule passed tests
191: ok 78 # molecule passed tests
191: ok 79 # molecule passed tests
191: ok 80 # molecule passed tests
191: ok 81 # molecule passed tests
191: ok 82 # molecule passed tests
191: ok 83 # molecule passed tests
191: ok 84 # molecule passed tests
191: ok 85 # molecule passed tests
191: ok 86 # molecule passed tests
191: ok 87 # molecule passed tests
191: ok 88 # molecule passed tests
191: ok 89 # molecule passed tests
191: ok 90 # molecule passed tests
191: ok 91 # molecule passed tests
191: ok 92 # molecule passed tests
191: ok 93 # molecule passed tests
191: ok 94 # molecule passed tests
191: ok 95 # molecule passed tests
191: ok 96 # molecule passed tests
191: ok 97 # molecule passed tests
191: ok 98 # molecule passed tests
191: ok 99 # molecule passed tests
191: ok 100 # molecule passed tests
191: ok 101 # molecule passed tests
191: ok 102 # molecule passed tests
191: ok 103 # molecule passed tests
191: ok 104 # molecule passed tests
191: ok 105 # molecule passed tests
191: ok 106 # molecule passed tests
191: ok 107 # molecule passed tests
191: ok 108 # molecule passed tests
191: ok 109 # molecule passed tests
191: ok 110 # molecule passed tests
191: ok 111 # molecule passed tests
191: ok 112 # molecule passed tests
191: ok 113 # molecule passed tests
191: ok 114 # molecule passed tests
191: ok 115 # molecule passed tests
191: ok 116 # molecule passed tests
191: ok 117 # molecule passed tests
191: ok 118 # molecule passed tests
191: ok 119 # molecule passed tests
191: ok 120 # molecule passed tests
191: ok 121 # molecule passed tests
191: ok 122 # molecule passed tests
191: ok 123 # molecule passed tests
191: ok 124 # molecule passed tests
191: ok 125 # molecule passed tests
191: ok 126 # molecule passed tests
191: ok 127 # molecule passed tests
191: ok 128 # molecule passed tests
191: ok 129 # molecule passed tests
191: ok 130 # molecule passed tests
191: ok 131 # molecule passed tests
191: ok 132 # molecule passed tests
191: ok 133 # molecule passed tests
191: ok 134 # molecule passed tests
191: ok 135 # molecule passed tests
191: ok 136 # molecule passed tests
191: ok 137 # molecule passed tests
191: ok 138 # molecule passed tests
191: ok 139 # molecule passed tests
191: ok 140 # molecule passed tests
191: ok 141 # molecule passed tests
191: ok 142 # molecule passed tests
191: ok 143 # molecule passed tests
191: ok 144 # molecule passed tests
191: ok 145 # molecule passed tests
191: ok 146 # molecule passed tests
191: ok 147 # molecule passed tests
191: ok 148 # molecule passed tests
191: ok 149 # molecule passed tests
191: ok 150 # molecule passed tests
191: ok 151 # molecule passed tests
191: ok 152 # molecule passed tests
191: ok 153 # molecule passed tests
191: ok 154 # molecule passed tests
191: ok 155 # molecule passed tests
191: ok 156 # molecule passed tests
191: ok 157 # molecule passed tests
191: ok 158 # molecule passed tests
191: ok 159 # molecule passed tests
191: ok 160 # molecule passed tests
191: ok 161 # molecule passed tests
191: ok 162 # molecule passed tests
191: ok 163 # molecule passed tests
191: ok 164 # molecule passed tests
191: ok 165 # molecule passed tests
191: ok 166 # molecule passed tests
191: ok 167 # molecule passed tests
191: ok 168 # molecule passed tests
191: ok 169 # molecule passed tests
191: ok 170 # molecule passed tests
191: ok 171 # molecule passed tests
191: ok 172 # molecule passed tests
191: ok 173 # molecule passed tests
191: ok 174 # molecule passed tests
191: ok 175 # molecule passed tests
191: ok 176 # molecule passed tests
191: ok 177 # molecule passed tests
191: ok 178 # molecule passed tests
191: ok 179 # molecule passed tests
191: ok 180 # molecule passed tests
191: ok 181 # molecule passed tests
191: ok 182 # molecule passed tests
191: ok 183 # molecule passed tests
191: ok 184 # molecule passed tests
191: ok 185 # molecule passed tests
191: ok 186 # molecule passed tests
191: ok 187 # molecule passed tests
191: ok 188 # molecule passed tests
191: ok 189 # molecule passed tests
191: ok 190 # molecule passed tests
191: ok 191 # molecule passed tests
191: ok 192 # molecule passed tests
191: ok 193 # molecule passed tests
191: ok 194 # molecule passed tests
191: ok 195 # molecule passed tests
191: ok 196 # molecule passed tests
191: ok 197 # molecule passed tests
191: ok 198 # molecule passed tests
191: ok 199 # molecule passed tests
191: ok 200 # molecule passed tests
191: ok 201 # molecule passed tests
191: ok 202 # molecule passed tests
191: ok 203 # molecule passed tests
191: ok 204 # molecule passed tests
191: ok 205 # molecule passed tests
191: ok 206 # molecule passed tests
191: ok 207 # molecule passed tests
191: ok 208 # molecule passed tests
191: ok 209 # molecule passed tests
191: ok 210 # molecule passed tests
191: ok 211 # molecule passed tests
191: ok 212 # molecule passed tests
191: ok 213 # molecule passed tests
191: ok 214 # molecule passed tests
191: ok 215 # molecule passed tests
191: ok 216 # molecule passed tests
191: ok 217 # molecule passed tests
191: ok 218 # molecule passed tests
191: ok 219 # molecule passed tests
191: ok 220 # molecule passed tests
191: ok 221 # molecule passed tests
191: ok 222 # molecule passed tests
191: ok 223 # molecule passed tests
191: ok 224 # molecule passed tests
191: ok 225 # molecule passed tests
191: ok 226 # molecule passed tests
191: ok 227 # molecule passed tests
191: ok 228 # molecule passed tests
191: ok 229 # molecule passed tests
191: ok 230 # molecule passed tests
191: ok 231 # molecule passed tests
191: ok 232 # molecule passed tests
191: ok 233 # molecule passed tests
191: ok 234 # molecule passed tests
191: ok 235 # molecule passed tests
191: ok 236 # molecule passed tests
191: ok 237 # molecule passed tests
191: ok 238 # molecule passed tests
191: ok 239 # molecule passed tests
191: ok 240 # molecule passed tests
191: ok 241 # molecule passed tests
191: ok 242 # molecule passed tests
191: ok 243 # molecule passed tests
191: ok 244 # molecule passed tests
191: ok 245 # molecule passed tests
191: ok 246 # molecule passed tests
191: ok 247 # molecule passed tests
191: ok 248 # molecule passed tests
191: ok 249 # molecule passed tests
191: ok 250 # molecule passed tests
191: ok 251 # molecule passed tests
191: ok 252 # molecule passed tests
191: ok 253 # molecule passed tests
191: ok 254 # molecule passed tests
191: ok 255 # molecule passed tests
191: ok 256 # molecule passed tests
191: ok 257 # molecule passed tests
191: ok 258 # molecule passed tests
191: ok 259 # molecule passed tests
191: ok 260 # molecule passed tests
191: ok 261 # molecule passed tests
191: ok 262 # molecule passed tests
191: ok 263 # molecule passed tests
191: ok 264 # molecule passed tests
191: ok 265 # molecule passed tests
191: ok 266 # molecule passed tests
191: ok 267 # molecule passed tests
191: ok 268 # molecule passed tests
191: ok 269 # molecule passed tests
191: ok 270 # molecule passed tests
191: ok 271 # molecule passed tests
191: ok 272 # molecule passed tests
191: 1..272
192: # Testing SMARTS Parsing...  
192: ok 1
192: ok 2
192: ok 3
192: ok 4
192: ok 5
192: ok 6
192: ok 7
192: ok 8
192: ok 9
192: ok 10
192: ok 11
192: ok 12
192: ok 13
192: ok 14
192: ok 15
192: ok 16
192: ok 17
192: ok 18
192: ok 19
192: ok 20
192: ok 21
192: ok 22
192: ok 23
192: ok 24
192: ok 25
192: ok 26
192: ok 27
192: ok 28
192: ok 29
192: ok 30
192: ok 31
192: ok 32
192: ok 33
192: ok 34
192: ok 35
192: ok 36
192: ok 37
192: ok 38
192: ok 39
192: ok 40
192: ok 41
192: ok 42
192: ok 43
192: ok 44
192: ok 45
192: ok 46
192: ok 47
192: ok 48
192: ok 49
192: ok 50
192: ok 51
192: ok 52
192: ok 53
192: ok 54
192: ok 55
192: ok 56
192: ok 57
192: ok 58
192: ok 59
192: ok 60
192: ok 61
192: ok 62
192: ok 63
192: ok 64
192: ok 65
192: ok 66
192: ok 67
192: ok 68
192: ok 69
192: ok 70
192: ok 71
192: ok 72
192: ok 73
192: ok 74
192: ok 75
192: ok 76
192: ok 77
192: ok 78
192: ok 79
192: ok 80
192: ok 81
192: ok 82
192: ok 83
192: ok 84
192: ok 85
192: ok 86
192: ok 87
192: ok 88
192: ok 89
192: ok 90
192: ok 91
192: ok 92
192: ok 93
192: ok 94
192: ok 95
192: ok 96
192: ok 97
192: ok 98
192: ok 99
192: ok 100
192: ok 101
192: ok 102
192: ok 103
192: ok 104
192: ok 105
192: ok 106
192: ok 107
192: ok 108
192: ok 109
192: ok 110
192: ok 111
192: ok 112
192: ok 113
192: ok 114
192: ok 115
192: ok 116
192: ok 117
192: ok 118
192: ok 119
192: ok 120
192: ok 121
192: ok 122
192: ok 123
192: ok 124
192: ok 125
192: ok 126
192: ok 127
192: ok 128
192: ok 129
192: ok 130
192: ok 131
192: ok 132
192: ok 133
192: ok 134
192: ok 135
192: ok 136
192: ok 137
192: ok 138
192: ok 139
192: ok 140
192: ok 141
192: ok 142
192: ok 143
192: ok 144
192: ok 145
192: ok 146
192: ok 147
192: ok 148
192: ok 149
192: ok 150
192: ok 151
192: ok 152
192: ok 153
192: ok 154
192: ok 155
192: ok 156
192: ok 157
192: ok 158
192: ok 159
192: ok 160
192: ok 161
192: ok 162
192: ok 163
192: ok 164
192: ok 165
192: ok 166
192: ok 167
192: ok 168
192: ok 169
192: ok 170
192: ok 171
192: ok 172
192: ok 173
192: ok 174
192: ok 175
192: ok 176
192: ok 177
192: ok 178
192: ok 179
192: ok 180
192: ok 181
192: ok 182
192: ok 183
192: ok 184
192: ok 185
192: ok 186
192: ok 187
192: ok 188
192: ok 189
192: ok 190
192: ok 191
192: ok 192
192: ok 193
192: ok 194
192: ok 195
192: ok 196
192: ok 197
192: ok 198
192: ok 199
192: ok 200
192: ok 201
192: ok 202
192: ok 203
192: ok 204
192: ok 205
192: ok 206
192: ok 207
192: ok 208
192: ok 209
192: ok 210
192: ok 211
192: ok 212
192: ok 213
192: ok 214
192: ok 215
192: ok 216
192: ok 217
192: ok 218
192: ok 219
192: ok 220
192: ok 221
192: ok 222
192: ok 223
192: ok 224
192: ok 225
192: ok 226
192: ok 227
192: ok 228
192: 1..228
193: 
193: # Testing SMILES self-matching using SMARTS...  
193: ok 1 # SMARTS matched the SMILES molecule
193: ok 2 # SMARTS matched the SMILES molecule
193: ok 3 # SMARTS matched the SMILES molecule
193: ok 4 # SMARTS matched the SMILES molecule
193: ok 5 # SMARTS matched the SMILES molecule
193: ok 6 # SMARTS matched the SMILES molecule
193: ok 7 # SMARTS matched the SMILES molecule
193: ok 8 # SMARTS matched the SMILES molecule
193: ok 9 # SMARTS matched the SMILES molecule
193: ok 10 # SMARTS matched the SMILES molecule
193: ok 11 # SMARTS matched the SMILES molecule
193: ok 12 # SMARTS matched the SMILES molecule
193: ok 13 # SMARTS matched the SMILES molecule
193: ok 14 # SMARTS matched the SMILES molecule
193: ok 15 # SMARTS matched the SMILES molecule
193: ok 16 # SMARTS matched the SMILES molecule
193: ok 17 # SMARTS matched the SMILES molecule
193: ok 18 # SMARTS matched the SMILES molecule
193: ok 19 # SMARTS matched the SMILES molecule
193: ok 20 # SMARTS matched the SMILES molecule
193: ok 21 # SMARTS matched the SMILES molecule
193: ok 22 # SMARTS matched the SMILES molecule
193: ok 23 # SMARTS matched the SMILES molecule
193: ok 24 # SMARTS matched the SMILES molecule
193: ok 25 # SMARTS matched the SMILES molecule
193: ok 26 # SMARTS matched the SMILES molecule
193: ok 27 # SMARTS matched the SMILES molecule
193: ok 28 # SMARTS matched the SMILES molecule
193: ok 29 # SMARTS matched the SMILES molecule
193: ok 30 # SMARTS matched the SMILES molecule
193: ok 31 # SMARTS matched the SMILES molecule
193: ok 32 # SMARTS matched the SMILES molecule
193: ok 33 # SMARTS matched the SMILES molecule
193: ok 34 # SMARTS matched the SMILES molecule
193: ok 35 # SMARTS matched the SMILES molecule
193: ok 36 # SMARTS matched the SMILES molecule
193: ok 37 # SMARTS matched the SMILES molecule
193: ok 38 # SMARTS matched the SMILES molecule
193: ok 39 # SMARTS matched the SMILES molecule
193: ok 40 # SMARTS matched the SMILES molecule
193: ok 41 # SMARTS matched the SMILES molecule
193: ok 42 # SMARTS matched the SMILES molecule
193: ok 43 # SMARTS matched the SMILES molecule
193: ok 44 # SMARTS matched the SMILES molecule
193: ok 45 # SMARTS matched the SMILES molecule
193: ok 46 # SMARTS matched the SMILES molecule
193: ok 47 # SMARTS matched the SMILES molecule
193: ok 48 # SMARTS matched the SMILES molecule
193: ok 49 # SMARTS matched the SMILES molecule
193: ok 50 # SMARTS matched the SMILES molecule
193: ok 51 # SMARTS matched the SMILES molecule
193: ok 52 # SMARTS matched the SMILES molecule
193: ok 53 # SMARTS matched the SMILES molecule
193: ok 54 # SMARTS matched the SMILES molecule
193: ok 55 # SMARTS matched the SMILES molecule
193: ok 56 # SMARTS matched the SMILES molecule
193: ok 57 # SMARTS matched the SMILES molecule
193: ok 58 # SMARTS matched the SMILES molecule
193: ok 59 # SMARTS matched the SMILES molecule
193: ok 60 # SMARTS matched the SMILES molecule
193: ok 61 # SMARTS matched the SMILES molecule
193: ok 62 # SMARTS matched the SMILES molecule
193: ok 63 # SMARTS matched the SMILES molecule
193: ok 64 # SMARTS matched the SMILES molecule
193: ok 65 # SMARTS matched the SMILES molecule
193: ok 66 # SMARTS matched the SMILES molecule
193: ok 67 # SMARTS matched the SMILES molecule
193: ok 68 # SMARTS matched the SMILES molecule
193: ok 69 # SMARTS matched the SMILES molecule
193: ok 70 # SMARTS matched the SMILES molecule
193: ok 71 # SMARTS matched the SMILES molecule
193: ok 72 # SMARTS matched the SMILES molecule
193: ok 73 # SMARTS matched the SMILES molecule
193: ok 74 # SMARTS matched the SMILES molecule
193: ok 75 # SMARTS matched the SMILES molecule
193: ok 76 # SMARTS matched the SMILES molecule
193: ok 77 # SMARTS matched the SMILES molecule
193: ok 78 # SMARTS matched the SMILES molecule
193: ok 79 # SMARTS matched the SMILES molecule
193: ok 80 # SMARTS matched the SMILES molecule
193: ok 81 # SMARTS matched the SMILES molecule
193: ok 82 # SMARTS matched the SMILES molecule
193: ok 83 # SMARTS matched the SMILES molecule
193: ok 84 # SMARTS matched the SMILES molecule
193: ok 85 # SMARTS matched the SMILES molecule
193: ok 86 # SMARTS matched the SMILES molecule
193: ok 87 # SMARTS matched the SMILES molecule
193: ok 88 # SMARTS matched the SMILES molecule
193: ok 89 # SMARTS matched the SMILES molecule
193: ok 90 # SMARTS matched the SMILES molecule
193: ok 91 # SMARTS matched the SMILES molecule
193: ok 92 # SMARTS matched the SMILES molecule
193: ok 93 # SMARTS matched the SMILES molecule
193: ok 94 # SMARTS matched the SMILES molecule
193: ok 95 # SMARTS matched the SMILES molecule
193: ok 96 # SMARTS matched the SMILES molecule
193: ok 97 # SMARTS matched the SMILES molecule
193: ok 98 # SMARTS matched the SMILES molecule
193: ok 99 # SMARTS matched the SMILES molecule
193: ok 100 # SMARTS matched the SMILES molecule
193: ok 101 # SMARTS matched the SMILES molecule
193: ok 102 # SMARTS matched the SMILES molecule
193: ok 103 # SMARTS matched the SMILES molecule
193: ok 104 # SMARTS matched the SMILES molecule
193: ok 105 # SMARTS matched the SMILES molecule
193: ok 106 # SMARTS matched the SMILES molecule
193: ok 107 # SMARTS matched the SMILES molecule
193: ok 108 # SMARTS matched the SMILES molecule
193: ok 109 # SMARTS matched the SMILES molecule
193: ok 110 # SMARTS matched the SMILES molecule
193: ok 111 # SMARTS matched the SMILES molecule
193: ok 112 # SMARTS matched the SMILES molecule
193: ok 113 # SMARTS matched the SMILES molecule
193: ok 114 # SMARTS matched the SMILES molecule
193: ok 115 # SMARTS matched the SMILES molecule
193: ok 116 # SMARTS matched the SMILES molecule
193: ok 117 # SMARTS matched the SMILES molecule
193: ok 118 # SMARTS matched the SMILES molecule
193: ok 119 # SMARTS matched the SMILES molecule
193: ok 120 # SMARTS matched the SMILES molecule
193: ok 121 # SMARTS matched the SMILES molecule
193: ok 122 # SMARTS matched the SMILES molecule
193: ok 123 # SMARTS matched the SMILES molecule
193: ok 124 # SMARTS matched the SMILES molecule
193: ok 125 # SMARTS matched the SMILES molecule
193: ok 126 # SMARTS matched the SMILES molecule
193: ok 127 # SMARTS matched the SMILES molecule
193: ok 128 # SMARTS matched the SMILES molecule
193: ok 129 # SMARTS matched the SMILES molecule
193: ok 130 # SMARTS matched the SMILES molecule
193: ok 131 # SMARTS matched the SMILES molecule
193: ok 132 # SMARTS matched the SMILES molecule
193: ok 133 # SMARTS matched the SMILES molecule
193: ok 134 # SMARTS matched the SMILES molecule
193: ok 135 # SMARTS matched the SMILES molecule
193: ok 136 # SMARTS matched the SMILES molecule
193: ok 137 # SMARTS matched the SMILES molecule
193: ok 138 # SMARTS matched the SMILES molecule
193: ok 139 # SMARTS matched the SMILES molecule
193: ok 140 # SMARTS matched the SMILES molecule
193: ok 141 # SMARTS matched the SMILES molecule
193: ok 142 # SMARTS matched the SMILES molecule
193: ok 143 # SMARTS matched the SMILES molecule
193: ok 144 # SMARTS matched the SMILES molecule
193: ok 145 # SMARTS matched the SMILES molecule
193: ok 146 # SMARTS matched the SMILES molecule
193: ok 147 # SMARTS matched the SMILES molecule
193: ok 148 # SMARTS matched the SMILES molecule
193: ok 149 # SMARTS matched the SMILES molecule
193: ok 150 # SMARTS matched the SMILES molecule
193: ok 151 # SMARTS matched the SMILES molecule
193: ok 152 # SMARTS matched the SMILES molecule
193: ok 153 # SMARTS matched the SMILES molecule
193: ok 154 # SMARTS matched the SMILES molecule
193: ok 155 # SMARTS matched the SMILES molecule
193: ok 156 # SMARTS matched the SMILES molecule
193: ok 157 # SMARTS matched the SMILES molecule
193: ok 158 # SMARTS matched the SMILES molecule
193: ok 159 # SMARTS matched the SMILES molecule
193: ok 160 # SMARTS matched the SMILES molecule
193: ok 161 # SMARTS matched the SMILES molecule
193: ok 162 # SMARTS matched the SMILES molecule
193: ok 163 # SMARTS matched the SMILES molecule
193: ok 164 # SMARTS matched the SMILES molecule
193: ok 165 # SMARTS matched the SMILES molecule
193: ok 166 # SMARTS matched the SMILES molecule
193: ok 167 # SMARTS matched the SMILES molecule
193: ok 168 # SMARTS matched the SMILES molecule
193: ok 169 # SMARTS matched the SMILES molecule
193: ok 170 # SMARTS matched the SMILES molecule
193: ok 171 # SMARTS matched the SMILES molecule
193: ok 172 # SMARTS matched the SMILES molecule
193: ok 173 # SMARTS matched the SMILES molecule
193: ok 174 # SMARTS matched the SMILES molecule
193: ok 175 # SMARTS matched the SMILES molecule
193: ok 176 # SMARTS matched the SMILES molecule
193: ok 177 # SMARTS matched the SMILES molecule
193: ok 178 # SMARTS matched the SMILES molecule
193: ok 179 # SMARTS matched the SMILES molecule
193: ok 180 # SMARTS matched the SMILES molecule
193: ok 181 # SMARTS matched the SMILES molecule
193: ok 182 # SMARTS matched the SMILES molecule
193: ok 183 # SMARTS matched the SMILES molecule
193: ok 184 # SMARTS matched the SMILES molecule
193: ok 185 # SMARTS matched the SMILES molecule
193: ok 186 # SMARTS matched the SMILES molecule
193: ok 187 # SMARTS matched the SMILES molecule
193: ok 188 # SMARTS matched the SMILES molecule
193: ok 189 # SMARTS matched the SMILES molecule
193: ok 190 # SMARTS matched the SMILES molecule
193: ok 191 # SMARTS matched the SMILES molecule
193: ok 192 # SMARTS matched the SMILES molecule
193: ok 193 # SMARTS matched the SMILES molecule
193: ok 194 # SMARTS matched the SMILES molecule
193: ok 195 # SMARTS matched the SMILES molecule
193: ok 196 # SMARTS matched the SMILES molecule
193: ok 197 # SMARTS matched the SMILES molecule
193: ok 198 # SMARTS matched the SMILES molecule
193: ok 199 # SMARTS matched the SMILES molecule
193: ok 200 # SMARTS matched the SMILES molecule
193: ok 201 # SMARTS matched the SMILES molecule
193: ok 202 # SMARTS matched the SMILES molecule
193: ok 203 # SMARTS matched the SMILES molecule
193: ok 204 # SMARTS matched the SMILES molecule
193: ok 205 # SMARTS matched the SMILES molecule
193: ok 206 # SMARTS matched the SMILES molecule
193: ok 207 # SMARTS matched the SMILES molecule
193: ok 208 # SMARTS matched the SMILES molecule
193: ok 209 # SMARTS matched the SMILES molecule
193: ok 210 # SMARTS matched the SMILES molecule
193: ok 211 # SMARTS matched the SMILES molecule
193: ok 212 # SMARTS matched the SMILES molecule
193: ok 213 # SMARTS matched the SMILES molecule
193: ok 214 # SMARTS matched the SMILES molecule
193: ok 215 # SMARTS matched the SMILES molecule
193: ok 216 # SMARTS matched the SMILES molecule
193: ok 217 # SMARTS matched the SMILES molecule
193: ok 218 # SMARTS matched the SMILES molecule
193: ok 219 # SMARTS matched the SMILES molecule
193: ok 220 # SMARTS matched the SMILES molecule
193: ok 221 # SMARTS matched the SMILES molecule
193: ok 222 # SMARTS matched the SMILES molecule
193: ok 223 # SMARTS matched the SMILES molecule
193: ok 224 # SMARTS matched the SMILES molecule
193: ok 225 # SMARTS matched the SMILES molecule
193: ok 226 # SMARTS matched the SMILES molecule
193: ok 227 # SMARTS matched the SMILES molecule
193: ok 228 # SMARTS matched the SMILES molecule
193: ok 229 # SMARTS matched the SMILES molecule
193: ok 230 # SMARTS matched the SMILES molecule
193: ok 231 # SMARTS matched the SMILES molecule
193: ok 232 # SMARTS matched the SMILES molecule
193: ok 233 # SMARTS matched the SMILES molecule
193: ok 234 # SMARTS matched the SMILES molecule
193: ok 235 # SMARTS matched the SMILES molecule
193: ok 236 # SMARTS matched the SMILES molecule
193: ok 237 # SMARTS matched the SMILES molecule
193: ok 238 # SMARTS matched the SMILES molecule
193: ok 239 # SMARTS matched the SMILES molecule
193: ok 240 # SMARTS matched the SMILES molecule
193: ok 241 # SMARTS matched the SMILES molecule
193: ok 242 # SMARTS matched the SMILES molecule
193: ok 243 # SMARTS matched the SMILES molecule
193: ok 244 # SMARTS matched the SMILES molecule
193: ok 245 # SMARTS matched the SMILES molecule
193: ok 246 # SMARTS matched the SMILES molecule
193: ok 247 # SMARTS matched the SMILES molecule
193: ok 248 # SMARTS matched the SMILES molecule
193: ok 249 # SMARTS matched the SMILES molecule
193: ok 250 # SMARTS matched the SMILES molecule
193: ok 251 # SMARTS matched the SMILES molecule
193: ok 252 # SMARTS matched the SMILES molecule
193: ok 253 # SMARTS matched the SMILES molecule
193: ok 254 # SMARTS matched the SMILES molecule
193: ok 255 # SMARTS matched the SMILES molecule
193: ok 256 # SMARTS matched the SMILES molecule
193: ok 257 # SMARTS matched the SMILES molecule
193: ok 258 # SMARTS matched the SMILES molecule
193: ok 259 # SMARTS matched the SMILES molecule
193: ok 260 # SMARTS matched the SMILES molecule
193: ok 261 # SMARTS matched the SMILES molecule
193: ok 262 # SMARTS matched the SMILES molecule
193: ok 263 # SMARTS matched the SMILES molecule
193: ok 264 # SMARTS matched the SMILES molecule
193: ok 265 # SMARTS matched the SMILES molecule
193: ok 266 # SMARTS matched the SMILES molecule
193: ok 267 # SMARTS matched the SMILES molecule
193: ok 268 # SMARTS matched the SMILES molecule
193: ok 269 # SMARTS matched the SMILES molecule
193: ok 270 # SMARTS matched the SMILES molecule
193: ok 271 # SMARTS matched the SMILES molecule
193: ok 272 # SMARTS matched the SMILES molecule
193: ok 273 # SMARTS matched the SMILES molecule
193: ok 274 # SMARTS matched the SMILES molecule
193: ok 275 # SMARTS matched the SMILES molecule
193: ok 276 # SMARTS matched the SMILES molecule
193: ok 277 # SMARTS matched the SMILES molecule
193: ok 278 # SMARTS matched the SMILES molecule
193: ok 279 # SMARTS matched the SMILES molecule
193: ok 280 # SMARTS matched the SMILES molecule
193: ok 281 # SMARTS matched the SMILES molecule
193: ok 282 # SMARTS matched the SMILES molecule
193: ok 283 # SMARTS matched the SMILES molecule
193: ok 284 # SMARTS matched the SMILES molecule
193: ok 285 # SMARTS matched the SMILES molecule
193: ok 286 # SMARTS matched the SMILES molecule
193: ok 287 # SMARTS matched the SMILES molecule
193: ok 288 # SMARTS matched the SMILES molecule
193: ok 289 # SMARTS matched the SMILES molecule
193: ok 290 # SMARTS matched the SMILES molecule
193: ok 291 # SMARTS matched the SMILES molecule
193: ok 292 # SMARTS matched the SMILES molecule
193: ok 293 # SMARTS matched the SMILES molecule
193: ok 294 # SMARTS matched the SMILES molecule
193: ok 295 # SMARTS matched the SMILES molecule
193: ok 296 # SMARTS matched the SMILES molecule
193: ok 297 # SMARTS matched the SMILES molecule
193: ok 298 # SMARTS matched the SMILES molecule
193: ok 299 # SMARTS matched the SMILES molecule
193: ok 300 # SMARTS matched the SMILES molecule
193: ok 301 # SMARTS matched the SMILES molecule
193: ok 302 # SMARTS matched the SMILES molecule
193: ok 303 # SMARTS matched the SMILES molecule
193: ok 304 # SMARTS matched the SMILES molecule
193: ok 305 # SMARTS matched the SMILES molecule
193: ok 306 # SMARTS matched the SMILES molecule
193: ok 307 # SMARTS matched the SMILES molecule
193: ok 308 # SMARTS matched the SMILES molecule
193: ok 309 # SMARTS matched the SMILES molecule
193: ok 310 # SMARTS matched the SMILES molecule
193: ok 311 # SMARTS matched the SMILES molecule
193: ok 312 # SMARTS matched the SMILES molecule
193: ok 313 # SMARTS matched the SMILES molecule
193: ok 314 # SMARTS matched the SMILES molecule
193: ok 315 # SMARTS matched the SMILES molecule
193: ok 316 # SMARTS matched the SMILES molecule
193: ok 317 # SMARTS matched the SMILES molecule
193: ok 318 # SMARTS matched the SMILES molecule
193: ok 319 # SMARTS matched the SMILES molecule
193: ok 320 # SMARTS matched the SMILES molecule
193: ok 321 # SMARTS matched the SMILES molecule
193: ok 322 # SMARTS matched the SMILES molecule
193: ok 323 # SMARTS matched the SMILES molecule
193: ok 324 # SMARTS matched the SMILES molecule
193: ok 325 # SMARTS matched the SMILES molecule
193: ok 326 # SMARTS matched the SMILES molecule
193: ok 327 # SMARTS matched the SMILES molecule
193: ok 328 # SMARTS matched the SMILES molecule
193: ok 329 # SMARTS matched the SMILES molecule
193: ok 330 # SMARTS matched the SMILES molecule
193: ok 331 # SMARTS matched the SMILES molecule
193: ok 332 # SMARTS matched the SMILES molecule
193: ok 333 # SMARTS matched the SMILES molecule
193: ok 334 # SMARTS matched the SMILES molecule
193: ok 335 # SMARTS matched the SMILES molecule
193: ok 336 # SMARTS matched the SMILES molecule
193: ok 337 # SMARTS matched the SMILES molecule
193: ok 338 # SMARTS matched the SMILES molecule
193: ok 339 # SMARTS matched the SMILES molecule
193: ok 340 # SMARTS matched the SMILES molecule
193: ok 341 # SMARTS matched the SMILES molecule
193: ok 342 # SMARTS matched the SMILES molecule
193: ok 343 # SMARTS matched the SMILES molecule
193: ok 344 # SMARTS matched the SMILES molecule
193: ok 345 # SMARTS matched the SMILES molecule
193: ok 346 # SMARTS matched the SMILES molecule
193: ok 347 # SMARTS matched the SMILES molecule
193: ok 348 # SMARTS matched the SMILES molecule
193: ok 349 # SMARTS matched the SMILES molecule
193: ok 350 # SMARTS matched the SMILES molecule
193: ok 351 # SMARTS matched the SMILES molecule
193: ok 352 # SMARTS matched the SMILES molecule
193: ok 353 # SMARTS matched the SMILES molecule
193: ok 354 # SMARTS matched the SMILES molecule
193: ok 355 # SMARTS matched the SMILES molecule
193: ok 356 # SMARTS matched the SMILES molecule
193: ok 357 # SMARTS matched the SMILES molecule
193: ok 358 # SMARTS matched the SMILES molecule
193: ok 359 # SMARTS matched the SMILES molecule
193: ok 360 # SMARTS matched the SMILES molecule
193: ok 361 # SMARTS matched the SMILES molecule
193: ok 362 # SMARTS matched the SMILES molecule
193: ok 363 # SMARTS matched the SMILES molecule
193: ok 364 # SMARTS matched the SMILES molecule
193: ok 365 # SMARTS matched the SMILES molecule
193: ok 366 # SMARTS matched the SMILES molecule
193: ok 367 # SMARTS matched the SMILES molecule
193: ok 368 # SMARTS matched the SMILES molecule
193: ok 369 # SMARTS matched the SMILES molecule
193: ok 370 # SMARTS matched the SMILES molecule
193: ok 371 # SMARTS matched the SMILES molecule
193: ok 372 # SMARTS matched the SMILES molecule
193: ok 373 # SMARTS matched the SMILES molecule
193: ok 374 # SMARTS matched the SMILES molecule
193: ok 375 # SMARTS matched the SMILES molecule
193: ok 376 # SMARTS matched the SMILES molecule
193: ok 377 # SMARTS matched the SMILES molecule
193: ok 378 # SMARTS matched the SMILES molecule
193: ok 379 # SMARTS matched the SMILES molecule
193: ok 380 # SMARTS matched the SMILES molecule
193: ok 381 # SMARTS matched the SMILES molecule
193: ok 382 # SMARTS matched the SMILES molecule
193: ok 383 # SMARTS matched the SMILES molecule
193: ok 384 # SMARTS matched the SMILES molecule
193: ok 385 # SMARTS matched the SMILES molecule
193: ok 386 # SMARTS matched the SMILES molecule
193: ok 387 # SMARTS matched the SMILES molecule
193: ok 388 # SMARTS matched the SMILES molecule
193: ok 389 # SMARTS matched the SMILES molecule
193: ok 390 # SMARTS matched the SMILES molecule
193: ok 391 # SMARTS matched the SMILES molecule
193: ok 392 # SMARTS matched the SMILES molecule
193: ok 393 # SMARTS matched the SMILES molecule
193: ok 394 # SMARTS matched the SMILES molecule
193: ok 395 # SMARTS matched the SMILES molecule
193: ok 396 # SMARTS matched the SMILES molecule
193: ok 397 # SMARTS matched the SMILES molecule
193: ok 398 # SMARTS matched the SMILES molecule
193: ok 399 # SMARTS matched the SMILES molecule
193: ok 400 # SMARTS matched the SMILES molecule
193: ok 401 # SMARTS matched the SMILES molecule
193: ok 402 # SMARTS matched the SMILES molecule
193: ok 403 # SMARTS matched the SMILES molecule
193: ok 404 # SMARTS matched the SMILES molecule
193: ok 405 # SMARTS matched the SMILES molecule
193: ok 406 # SMARTS matched the SMILES molecule
193: ok 407 # SMARTS matched the SMILES molecule
193: ok 408 # SMARTS matched the SMILES molecule
193: ok 409 # SMARTS matched the SMILES molecule
193: ok 410 # SMARTS matched the SMILES molecule
193: ok 411 # SMARTS matched the SMILES molecule
193: ok 412 # SMARTS matched the SMILES molecule
193: ok 413 # SMARTS matched the SMILES molecule
193: ok 414 # SMARTS matched the SMILES molecule
193: ok 415 # SMARTS matched the SMILES molecule
193: ok 416 # SMARTS matched the SMILES molecule
193: ok 417 # SMARTS matched the SMILES molecule
193: ok 418 # SMARTS matched the SMILES molecule
193: ok 419 # SMARTS matched the SMILES molecule
193: ok 420 # SMARTS matched the SMILES molecule
193: ok 421 # SMARTS matched the SMILES molecule
193: ok 422 # SMARTS matched the SMILES molecule
193: ok 423 # SMARTS matched the SMILES molecule
193: ok 424 # SMARTS matched the SMILES molecule
193: ok 425 # SMARTS matched the SMILES molecule
193: ok 426 # SMARTS matched the SMILES molecule
193: ok 427 # SMARTS matched the SMILES molecule
193: ok 428 # SMARTS matched the SMILES molecule
193: ok 429 # SMARTS matched the SMILES molecule
193: ok 430 # SMARTS matched the SMILES molecule
193: ok 431 # SMARTS matched the SMILES molecule
193: ok 432 # SMARTS matched the SMILES molecule
193: ok 433 # SMARTS matched the SMILES molecule
193: ok 434 # SMARTS matched the SMILES molecule
193: ok 435 # SMARTS matched the SMILES molecule
193: ok 436 # SMARTS matched the SMILES molecule
193: ok 437 # SMARTS matched the SMILES molecule
193: ok 438 # SMARTS matched the SMILES molecule
193: ok 439 # SMARTS matched the SMILES molecule
193: ok 440 # SMARTS matched the SMILES molecule
193: ok 441 # SMARTS matched the SMILES molecule
193: ok 442 # SMARTS matched the SMILES molecule
193: ok 443 # SMARTS matched the SMILES molecule
193: ok 444 # SMARTS matched the SMILES molecule
193: ok 445 # SMARTS matched the SMILES molecule
193: ok 446 # SMARTS matched the SMILES molecule
193: ok 447 # SMARTS matched the SMILES molecule
193: ok 448 # SMARTS matched the SMILES molecule
193: ok 449 # SMARTS matched the SMILES molecule
193: ok 450 # SMARTS matched the SMILES molecule
193: ok 451 # SMARTS matched the SMILES molecule
193: ok 452 # SMARTS matched the SMILES molecule
193: ok 453 # SMARTS matched the SMILES molecule
193: ok 454 # SMARTS matched the SMILES molecule
193: ok 455 # SMARTS matched the SMILES molecule
193: ok 456 # SMARTS matched the SMILES molecule
193: ok 457 # SMARTS matched the SMILES molecule
193: ok 458 # SMARTS matched the SMILES molecule
193: ok 459 # SMARTS matched the SMILES molecule
193: ok 460 # SMARTS matched the SMILES molecule
193: ok 461 # SMARTS matched the SMILES molecule
193: ok 462 # SMARTS matched the SMILES molecule
193: ok 463 # SMARTS matched the SMILES molecule
193: ok 464 # SMARTS matched the SMILES molecule
193: ok 465 # SMARTS matched the SMILES molecule
193: ok 466 # SMARTS matched the SMILES molecule
193: ok 467 # SMARTS matched the SMILES molecule
193: ok 468 # SMARTS matched the SMILES molecule
193: ok 469 # SMARTS matched the SMILES molecule
193: ok 470 # SMARTS matched the SMILES molecule
193: ok 471 # SMARTS matched the SMILES molecule
193: ok 472 # SMARTS matched the SMILES molecule
193: ok 473 # SMARTS matched the SMILES molecule
193: ok 474 # SMARTS matched the SMILES molecule
193: ok 475 # SMARTS matched the SMILES molecule
193: ok 476 # SMARTS matched the SMILES molecule
193: ok 477 # SMARTS matched the SMILES molecule
193: ok 478 # SMARTS matched the SMILES molecule
193: ok 479 # SMARTS matched the SMILES molecule
193: ok 480 # SMARTS matched the SMILES molecule
193: ok 481 # SMARTS matched the SMILES molecule
193: ok 482 # SMARTS matched the SMILES molecule
193: ok 483 # SMARTS matched the SMILES molecule
193: ok 484 # SMARTS matched the SMILES molecule
193: ok 485 # SMARTS matched the SMILES molecule
193: ok 486 # SMARTS matched the SMILES molecule
193: ok 487 # SMARTS matched the SMILES molecule
193: ok 488 # SMARTS matched the SMILES molecule
193: ok 489 # SMARTS matched the SMILES molecule
193: ok 490 # SMARTS matched the SMILES molecule
193: ok 491 # SMARTS matched the SMILES molecule
193: ok 492 # SMARTS matched the SMILES molecule
193: ok 493 # SMARTS matched the SMILES molecule
193: ok 494 # SMARTS matched the SMILES molecule
193: ok 495 # SMARTS matched the SMILES molecule
193: ok 496 # SMARTS matched the SMILES molecule
193: ok 497 # SMARTS matched the SMILES molecule
193: ok 498 # SMARTS matched the SMILES molecule
193: ok 499 # SMARTS matched the SMILES molecule
193: ok 500 # SMARTS matched the SMILES molecule
193: ok 501 # SMARTS matched the SMILES molecule
193: ok 502 # SMARTS matched the SMILES molecule
193: ok 503 # SMARTS matched the SMILES molecule
193: ok 504 # SMARTS matched the SMILES molecule
193: ok 505 # SMARTS matched the SMILES molecule
193: ok 506 # SMARTS matched the SMILES molecule
193: ok 507 # SMARTS matched the SMILES molecule
193: ok 508 # SMARTS matched the SMILES molecule
193: ok 509 # SMARTS matched the SMILES molecule
193: ok 510 # SMARTS matched the SMILES molecule
193: ok 511 # SMARTS matched the SMILES molecule
193: ok 512 # SMARTS matched the SMILES molecule
193: ok 513 # SMARTS matched the SMILES molecule
193: ok 514 # SMARTS matched the SMILES molecule
193: ok 515 # SMARTS matched the SMILES molecule
193: ok 516 # SMARTS matched the SMILES molecule
193: ok 517 # SMARTS matched the SMILES molecule
193: ok 518 # SMARTS matched the SMILES molecule
193: ok 519 # SMARTS matched the SMILES molecule
193: ok 520 # SMARTS matched the SMILES molecule
193: ok 521 # SMARTS matched the SMILES molecule
193: ok 522 # SMARTS matched the SMILES molecule
193: ok 523 # SMARTS matched the SMILES molecule
193: ok 524 # SMARTS matched the SMILES molecule
193: ok 525 # SMARTS matched the SMILES molecule
193: ok 526 # SMARTS matched the SMILES molecule
193: ok 527 # SMARTS matched the SMILES molecule
193: ok 528 # SMARTS matched the SMILES molecule
193: ok 529 # SMARTS matched the SMILES molecule
193: ok 530 # SMARTS matched the SMILES molecule
193: ok 531 # SMARTS matched the SMILES molecule
193: ok 532 # SMARTS matched the SMILES molecule
193: ok 533 # SMARTS matched the SMILES molecule
193: ok 534 # SMARTS matched the SMILES molecule
193: ok 535 # SMARTS matched the SMILES molecule
193: ok 536 # SMARTS matched the SMILES molecule
193: ok 537 # SMARTS matched the SMILES molecule
193: ok 538 # SMARTS matched the SMILES molecule
193: ok 539 # SMARTS matched the SMILES molecule
193: ok 540 # SMARTS matched the SMILES molecule
193: ok 541 # SMARTS matched the SMILES molecule
193: ok 542 # SMARTS matched the SMILES molecule
193: ok 543 # SMARTS matched the SMILES molecule
193: ok 544 # SMARTS matched the SMILES molecule
193: ok 545 # SMARTS matched the SMILES molecule
193: ok 546 # SMARTS matched the SMILES molecule
193: ok 547 # SMARTS matched the SMILES molecule
193: ok 548 # SMARTS matched the SMILES molecule
193: ok 549 # SMARTS matched the SMILES molecule
193: ok 550 # SMARTS matched the SMILES molecule
193: ok 551 # SMARTS matched the SMILES molecule
193: ok 552 # SMARTS matched the SMILES molecule
193: ok 553 # SMARTS matched the SMILES molecule
193: ok 554 # SMARTS matched the SMILES molecule
193: ok 555 # SMARTS matched the SMILES molecule
193: ok 556 # SMARTS matched the SMILES molecule
193: ok 557 # SMARTS matched the SMILES molecule
193: ok 558 # SMARTS matched the SMILES molecule
193: ok 559 # SMARTS matched the SMILES molecule
193: ok 560 # SMARTS matched the SMILES molecule
193: ok 561 # SMARTS matched the SMILES molecule
193: ok 562 # SMARTS matched the SMILES molecule
193: ok 563 # SMARTS matched the SMILES molecule
193: ok 564 # SMARTS matched the SMILES molecule
193: ok 565 # SMARTS matched the SMILES molecule
193: ok 566 # SMARTS matched the SMILES molecule
193: ok 567 # SMARTS matched the SMILES molecule
193: ok 568 # SMARTS matched the SMILES molecule
193: ok 569 # SMARTS matched the SMILES molecule
193: ok 570 # SMARTS matched the SMILES molecule
193: ok 571 # SMARTS matched the SMILES molecule
193: ok 572 # SMARTS matched the SMILES molecule
193: ok 573 # SMARTS matched the SMILES molecule
193: ok 574 # SMARTS matched the SMILES molecule
193: ok 575 # SMARTS matched the SMILES molecule
193: ok 576 # SMARTS matched the SMILES molecule
193: ok 577 # SMARTS matched the SMILES molecule
193: ok 578 # SMARTS matched the SMILES molecule
193: ok 579 # SMARTS matched the SMILES molecule
193: ok 580 # SMARTS matched the SMILES molecule
193: ok 581 # SMARTS matched the SMILES molecule
193: ok 582 # SMARTS matched the SMILES molecule
193: ok 583 # SMARTS matched the SMILES molecule
193: ok 584 # SMARTS matched the SMILES molecule
193: ok 585 # SMARTS matched the SMILES molecule
193: ok 586 # SMARTS matched the SMILES molecule
193: ok 587 # SMARTS matched the SMILES molecule
193: ok 588 # SMARTS matched the SMILES molecule
193: ok 589 # SMARTS matched the SMILES molecule
193: ok 590 # SMARTS matched the SMILES molecule
193: ok 591 # SMARTS matched the SMILES molecule
193: ok 592 # SMARTS matched the SMILES molecule
193: ok 593 # SMARTS matched the SMILES molecule
193: ok 594 # SMARTS matched the SMILES molecule
193: ok 595 # SMARTS matched the SMILES molecule
193: ok 596 # SMARTS matched the SMILES molecule
193: ok 597 # SMARTS matched the SMILES molecule
193: ok 598 # SMARTS matched the SMILES molecule
193: ok 599 # SMARTS matched the SMILES molecule
193: ok 600 # SMARTS matched the SMILES molecule
193: ok 601 # SMARTS matched the SMILES molecule
193: ok 602 # SMARTS matched the SMILES molecule
193: ok 603 # SMARTS matched the SMILES molecule
193: ok 604 # SMARTS matched the SMILES molecule
193: ok 605 # SMARTS matched the SMILES molecule
193: ok 606 # SMARTS matched the SMILES molecule
193: ok 607 # SMARTS matched the SMILES molecule
193: ok 608 # SMARTS matched the SMILES molecule
193: ok 609 # SMARTS matched the SMILES molecule
193: ok 610 # SMARTS matched the SMILES molecule
193: ok 611 # SMARTS matched the SMILES molecule
193: ok 612 # SMARTS matched the SMILES molecule
193: ok 613 # SMARTS matched the SMILES molecule
193: ok 614 # SMARTS matched the SMILES molecule
193: ok 615 # SMARTS matched the SMILES molecule
193: ok 616 # SMARTS matched the SMILES molecule
193: ok 617 # SMARTS matched the SMILES molecule
193: ok 618 # SMARTS matched the SMILES molecule
193: ok 619 # SMARTS matched the SMILES molecule
193: ok 620 # SMARTS matched the SMILES molecule
193: ok 621 # SMARTS matched the SMILES molecule
193: ok 622 # SMARTS matched the SMILES molecule
193: ok 623 # SMARTS matched the SMILES molecule
193: ok 624 # SMARTS matched the SMILES molecule
193: ok 625 # SMARTS matched the SMILES molecule
193: ok 626 # SMARTS matched the SMILES molecule
193: ok 627 # SMARTS matched the SMILES molecule
193: ok 628 # SMARTS matched the SMILES molecule
193: ok 629 # SMARTS matched the SMILES molecule
193: ok 630 # SMARTS matched the SMILES molecule
193: ok 631 # SMARTS matched the SMILES molecule
193: ok 632 # SMARTS matched the SMILES molecule
193: ok 633 # SMARTS matched the SMILES molecule
193: ok 634 # SMARTS matched the SMILES molecule
193: ok 635 # SMARTS matched the SMILES molecule
193: ok 636 # SMARTS matched the SMILES molecule
193: ok 637 # SMARTS matched the SMILES molecule
193: ok 638 # SMARTS matched the SMILES molecule
193: ok 639 # SMARTS matched the SMILES molecule
193: ok 640 # SMARTS matched the SMILES molecule
193: ok 641 # SMARTS matched the SMILES molecule
193: ok 642 # SMARTS matched the SMILES molecule
193: ok 643 # SMARTS matched the SMILES molecule
193: ok 644 # SMARTS matched the SMILES molecule
193: ok 645 # SMARTS matched the SMILES molecule
193: ok 646 # SMARTS matched the SMILES molecule
193: ok 647 # SMARTS matched the SMILES molecule
193: ok 648 # SMARTS matched the SMILES molecule
193: ok 649 # SMARTS matched the SMILES molecule
193: ok 650 # SMARTS matched the SMILES molecule
193: ok 651 # SMARTS matched the SMILES molecule
193: ok 652 # SMARTS matched the SMILES molecule
193: ok 653 # SMARTS matched the SMILES molecule
193: ok 654 # SMARTS matched the SMILES molecule
193: ok 655 # SMARTS matched the SMILES molecule
193: ok 656 # SMARTS matched the SMILES molecule
193: ok 657 # SMARTS matched the SMILES molecule
193: ok 658 # SMARTS matched the SMILES molecule
193: ok 659 # SMARTS matched the SMILES molecule
193: ok 660 # SMARTS matched the SMILES molecule
193: ok 661 # SMARTS matched the SMILES molecule
193: ok 662 # SMARTS matched the SMILES molecule
193: ok 663 # SMARTS matched the SMILES molecule
193: ok 664 # SMARTS matched the SMILES molecule
193: ok 665 # SMARTS matched the SMILES molecule
193: ok 666 # SMARTS matched the SMILES molecule
193: ok 667 # SMARTS matched the SMILES molecule
193: ok 668 # SMARTS matched the SMILES molecule
193: ok 669 # SMARTS matched the SMILES molecule
193: ok 670 # SMARTS matched the SMILES molecule
193: ok 671 # SMARTS matched the SMILES molecule
193: ok 672 # SMARTS matched the SMILES molecule
193: ok 673 # SMARTS matched the SMILES molecule
193: ok 674 # SMARTS matched the SMILES molecule
193: ok 675 # SMARTS matched the SMILES molecule
193: ok 676 # SMARTS matched the SMILES molecule
193: ok 677 # SMARTS matched the SMILES molecule
193: ok 678 # SMARTS matched the SMILES molecule
193: ok 679 # SMARTS matched the SMILES molecule
193: ok 680 # SMARTS matched the SMILES molecule
193: ok 681 # SMARTS matched the SMILES molecule
193: ok 682 # SMARTS matched the SMILES molecule
193: ok 683 # SMARTS matched the SMILES molecule
193: ok 684 # SMARTS matched the SMILES molecule
193: ok 685 # SMARTS matched the SMILES molecule
193: ok 686 # SMARTS matched the SMILES molecule
193: ok 687 # SMARTS matched the SMILES molecule
193: ok 688 # SMARTS matched the SMILES molecule
193: ok 689 # SMARTS matched the SMILES molecule
193: ok 690 # SMARTS matched the SMILES molecule
193: ok 691 # SMARTS matched the SMILES molecule
193: ok 692 # SMARTS matched the SMILES molecule
193: ok 693 # SMARTS matched the SMILES molecule
193: ok 694 # SMARTS matched the SMILES molecule
193: ok 695 # SMARTS matched the SMILES molecule
193: ok 696 # SMARTS matched the SMILES molecule
193: ok 697 # SMARTS matched the SMILES molecule
193: ok 698 # SMARTS matched the SMILES molecule
193: ok 699 # SMARTS matched the SMILES molecule
193: ok 700 # SMARTS matched the SMILES molecule
193: ok 701 # SMARTS matched the SMILES molecule
193: ok 702 # SMARTS matched the SMILES molecule
193: ok 703 # SMARTS matched the SMILES molecule
193: ok 704 # SMARTS matched the SMILES molecule
193: ok 705 # SMARTS matched the SMILES molecule
193: ok 706 # SMARTS matched the SMILES molecule
193: ok 707 # SMARTS matched the SMILES molecule
193: ok 708 # SMARTS matched the SMILES molecule
193: ok 709 # SMARTS matched the SMILES molecule
193: ok 710 # SMARTS matched the SMILES molecule
193: ok 711 # SMARTS matched the SMILES molecule
193: ok 712 # SMARTS matched the SMILES molecule
193: ok 713 # SMARTS matched the SMILES molecule
193: ok 714 # SMARTS matched the SMILES molecule
193: ok 715 # SMARTS matched the SMILES molecule
193: ok 716 # SMARTS matched the SMILES molecule
193: ok 717 # SMARTS matched the SMILES molecule
193: ok 718 # SMARTS matched the SMILES molecule
193: ok 719 # SMARTS matched the SMILES molecule
193: ok 720 # SMARTS matched the SMILES molecule
193: ok 721 # SMARTS matched the SMILES molecule
193: ok 722 # SMARTS matched the SMILES molecule
193: ok 723 # SMARTS matched the SMILES molecule
193: ok 724 # SMARTS matched the SMILES molecule
193: ok 725 # SMARTS matched the SMILES molecule
193: ok 726 # SMARTS matched the SMILES molecule
193: ok 727 # SMARTS matched the SMILES molecule
193: ok 728 # SMARTS matched the SMILES molecule
193: ok 729 # SMARTS matched the SMILES molecule
193: ok 730 # SMARTS matched the SMILES molecule
193: ok 731 # SMARTS matched the SMILES molecule
193: ok 732 # SMARTS matched the SMILES molecule
193: ok 733 # SMARTS matched the SMILES molecule
193: ok 734 # SMARTS matched the SMILES molecule
193: ok 735 # SMARTS matched the SMILES molecule
193: ok 736 # SMARTS matched the SMILES molecule
193: ok 737 # SMARTS matched the SMILES molecule
193: ok 738 # SMARTS matched the SMILES molecule
193: ok 739 # SMARTS matched the SMILES molecule
193: ok 740 # SMARTS matched the SMILES molecule
193: ok 741 # SMARTS matched the SMILES molecule
193: ok 742 # SMARTS matched the SMILES molecule
193: ok 743 # SMARTS matched the SMILES molecule
193: ok 744 # SMARTS matched the SMILES molecule
193: ok 745 # SMARTS matched the SMILES molecule
193: ok 746 # SMARTS matched the SMILES molecule
193: ok 747 # SMARTS matched the SMILES molecule
193: ok 748 # SMARTS matched the SMILES molecule
193: ok 749 # SMARTS matched the SMILES molecule
193: ok 750 # SMARTS matched the SMILES molecule
193: ok 751 # SMARTS matched the SMILES molecule
193: ok 752 # SMARTS matched the SMILES molecule
193: ok 753 # SMARTS matched the SMILES molecule
193: ok 754 # SMARTS matched the SMILES molecule
193: ok 755 # SMARTS matched the SMILES molecule
193: ok 756 # SMARTS matched the SMILES molecule
193: ok 757 # SMARTS matched the SMILES molecule
193: ok 758 # SMARTS matched the SMILES molecule
193: ok 759 # SMARTS matched the SMILES molecule
193: ok 760 # SMARTS matched the SMILES molecule
193: ok 761 # SMARTS matched the SMILES molecule
193: ok 762 # SMARTS matched the SMILES molecule
193: ok 763 # SMARTS matched the SMILES molecule
193: ok 764 # SMARTS matched the SMILES molecule
193: ok 765 # SMARTS matched the SMILES molecule
193: ok 766 # SMARTS matched the SMILES molecule
193: ok 767 # SMARTS matched the SMILES molecule
193: ok 768 # SMARTS matched the SMILES molecule
193: ok 769 # SMARTS matched the SMILES molecule
193: ok 770 # SMARTS matched the SMILES molecule
193: ok 771 # SMARTS matched the SMILES molecule
193: ok 772 # SMARTS matched the SMILES molecule
193: ok 773 # SMARTS matched the SMILES molecule
193: ok 774 # SMARTS matched the SMILES molecule
193: ok 775 # SMARTS matched the SMILES molecule
193: ok 776 # SMARTS matched the SMILES molecule
193: ok 777 # SMARTS matched the SMILES molecule
193: ok 778 # SMARTS matched the SMILES molecule
193: ok 779 # SMARTS matched the SMILES molecule
193: ok 780 # SMARTS matched the SMILES molecule
193: ok 781 # SMARTS matched the SMILES molecule
193: ok 782 # SMARTS matched the SMILES molecule
193: ok 783 # SMARTS matched the SMILES molecule
193: ok 784 # SMARTS matched the SMILES molecule
193: ok 785 # SMARTS matched the SMILES molecule
193: ok 786 # SMARTS matched the SMILES molecule
193: ok 787 # SMARTS matched the SMILES molecule
193: ok 788 # SMARTS matched the SMILES molecule
193: ok 789 # SMARTS matched the SMILES molecule
193: ok 790 # SMARTS matched the SMILES molecule
193: ok 791 # SMARTS matched the SMILES molecule
193: ok 792 # SMARTS matched the SMILES molecule
193: ok 793 # SMARTS matched the SMILES molecule
193: ok 794 # SMARTS matched the SMILES molecule
193: ok 795 # SMARTS matched the SMILES molecule
193: ok 796 # SMARTS matched the SMILES molecule
193: ok 797 # SMARTS matched the SMILES molecule
193: ok 798 # SMARTS matched the SMILES molecule
193: ok 799 # SMARTS matched the SMILES molecule
193: ok 800 # SMARTS matched the SMILES molecule
193: ok 801 # SMARTS matched the SMILES molecule
193: ok 802 # SMARTS matched the SMILES molecule
193: ok 803 # SMARTS matched the SMILES molecule
193: ok 804 # SMARTS matched the SMILES molecule
193: ok 805 # SMARTS matched the SMILES molecule
193: ok 806 # SMARTS matched the SMILES molecule
193: ok 807 # SMARTS matched the SMILES molecule
193: ok 808 # SMARTS matched the SMILES molecule
193: ok 809 # SMARTS matched the SMILES molecule
193: ok 810 # SMARTS matched the SMILES molecule
193: ok 811 # SMARTS matched the SMILES molecule
193: ok 812 # SMARTS matched the SMILES molecule
193: ok 813 # SMARTS matched the SMILES molecule
193: ok 814 # SMARTS matched the SMILES molecule
193: ok 815 # SMARTS matched the SMILES molecule
193: ok 816 # SMARTS matched the SMILES molecule
193: ok 817 # SMARTS matched the SMILES molecule
193: ok 818 # SMARTS matched the SMILES molecule
193: ok 819 # SMARTS matched the SMILES molecule
193: ok 820 # SMARTS matched the SMILES molecule
193: ok 821 # SMARTS matched the SMILES molecule
193: ok 822 # SMARTS matched the SMILES molecule
193: ok 823 # SMARTS matched the SMILES molecule
193: ok 824 # SMARTS matched the SMILES molecule
193: ok 825 # SMARTS matched the SMILES molecule
193: ok 826 # SMARTS matched the SMILES molecule
193: ok 827 # SMARTS matched the SMILES molecule
193: ok 828 # SMARTS matched the SMILES molecule
193: ok 829 # SMARTS matched the SMILES molecule
193: ok 830 # SMARTS matched the SMILES molecule
193: ok 831 # SMARTS matched the SMILES molecule
193: ok 832 # SMARTS matched the SMILES molecule
193: ok 833 # SMARTS matched the SMILES molecule
193: ok 834 # SMARTS matched the SMILES molecule
193: ok 835 # SMARTS matched the SMILES molecule
193: ok 836 # SMARTS matched the SMILES molecule
193: ok 837 # SMARTS matched the SMILES molecule
193: ok 838 # SMARTS matched the SMILES molecule
193: ok 839 # SMARTS matched the SMILES molecule
193: ok 840 # SMARTS matched the SMILES molecule
193: ok 841 # SMARTS matched the SMILES molecule
193: ok 842 # SMARTS matched the SMILES molecule
193: ok 843 # SMARTS matched the SMILES molecule
193: ok 844 # SMARTS matched the SMILES molecule
193: ok 845 # SMARTS matched the SMILES molecule
193: ok 846 # SMARTS matched the SMILES molecule
193: ok 847 # SMARTS matched the SMILES molecule
193: ok 848 # SMARTS matched the SMILES molecule
193: ok 849 # SMARTS matched the SMILES molecule
193: ok 850 # SMARTS matched the SMILES molecule
193: ok 851 # SMARTS matched the SMILES molecule
193: ok 852 # SMARTS matched the SMILES molecule
193: ok 853 # SMARTS matched the SMILES molecule
193: ok 854 # SMARTS matched the SMILES molecule
193: ok 855 # SMARTS matched the SMILES molecule
193: ok 856 # SMARTS matched the SMILES molecule
193: ok 857 # SMARTS matched the SMILES molecule
193: ok 858 # SMARTS matched the SMILES molecule
193: ok 859 # SMARTS matched the SMILES molecule
193: ok 860 # SMARTS matched the SMILES molecule
193: ok 861 # SMARTS matched the SMILES molecule
193: ok 862 # SMARTS matched the SMILES molecule
193: ok 863 # SMARTS matched the SMILES molecule
193: ok 864 # SMARTS matched the SMILES molecule
193: ok 865 # SMARTS matched the SMILES molecule
193: ok 866 # SMARTS matched the SMILES molecule
193: ok 867 # SMARTS matched the SMILES molecule
193: ok 868 # SMARTS matched the SMILES molecule
193: ok 869 # SMARTS matched the SMILES molecule
193: ok 870 # SMARTS matched the SMILES molecule
193: ok 871 # SMARTS matched the SMILES molecule
193: ok 872 # SMARTS matched the SMILES molecule
193: ok 873 # SMARTS matched the SMILES molecule
193: ok 874 # SMARTS matched the SMILES molecule
193: ok 875 # SMARTS matched the SMILES molecule
193: ok 876 # SMARTS matched the SMILES molecule
193: ok 877 # SMARTS matched the SMILES molecule
193: ok 878 # SMARTS matched the SMILES molecule
193: ok 879 # SMARTS matched the SMILES molecule
193: ok 880 # SMARTS matched the SMILES molecule
193: ok 881 # SMARTS matched the SMILES molecule
193: ok 882 # SMARTS matched the SMILES molecule
193: ok 883 # SMARTS matched the SMILES molecule
193: ok 884 # SMARTS matched the SMILES molecule
193: ok 885 # SMARTS matched the SMILES molecule
193: ok 886 # SMARTS matched the SMILES molecule
193: ok 887 # SMARTS matched the SMILES molecule
193: ok 888 # SMARTS matched the SMILES molecule
193: ok 889 # SMARTS matched the SMILES molecule
193: ok 890 # SMARTS matched the SMILES molecule
193: ok 891 # SMARTS matched the SMILES molecule
193: ok 892 # SMARTS matched the SMILES molecule
193: ok 893 # SMARTS matched the SMILES molecule
193: ok 894 # SMARTS matched the SMILES molecule
193: ok 895 # SMARTS matched the SMILES molecule
193: ok 896 # SMARTS matched the SMILES molecule
193: ok 897 # SMARTS matched the SMILES molecule
193: ok 898 # SMARTS matched the SMILES molecule
193: ok 899 # SMARTS matched the SMILES molecule
193: ok 900 # SMARTS matched the SMILES molecule
193: ok 901 # SMARTS matched the SMILES molecule
193: ok 902 # SMARTS matched the SMILES molecule
193: ok 903 # SMARTS matched the SMILES molecule
193: ok 904 # SMARTS matched the SMILES molecule
193: ok 905 # SMARTS matched the SMILES molecule
193: ok 906 # SMARTS matched the SMILES molecule
193: ok 907 # SMARTS matched the SMILES molecule
193: ok 908 # SMARTS matched the SMILES molecule
193: ok 909 # SMARTS matched the SMILES molecule
193: ok 910 # SMARTS matched the SMILES molecule
193: ok 911 # SMARTS matched the SMILES molecule
193: ok 912 # SMARTS matched the SMILES molecule
193: ok 913 # SMARTS matched the SMILES molecule
193: ok 914 # SMARTS matched the SMILES molecule
193: ok 915 # SMARTS matched the SMILES molecule
193: ok 916 # SMARTS matched the SMILES molecule
193: ok 917 # SMARTS matched the SMILES molecule
193: ok 918 # SMARTS matched the SMILES molecule
193: ok 919 # SMARTS matched the SMILES molecule
193: ok 920 # SMARTS matched the SMILES molecule
193: ok 921 # SMARTS matched the SMILES molecule
193: ok 922 # SMARTS matched the SMILES molecule
193: ok 923 # SMARTS matched the SMILES molecule
193: ok 924 # SMARTS matched the SMILES molecule
193: ok 925 # SMARTS matched the SMILES molecule
193: ok 926 # SMARTS matched the SMILES molecule
193: ok 927 # SMARTS matched the SMILES molecule
193: ok 928 # SMARTS matched the SMILES molecule
193: ok 929 # SMARTS matched the SMILES molecule
193: ok 930 # SMARTS matched the SMILES molecule
193: ok 931 # SMARTS matched the SMILES molecule
193: ok 932 # SMARTS matched the SMILES molecule
193: ok 933 # SMARTS matched the SMILES molecule
193: ok 934 # SMARTS matched the SMILES molecule
193: ok 935 # SMARTS matched the SMILES molecule
193: ok 936 # SMARTS matched the SMILES molecule
193: ok 937 # SMARTS matched the SMILES molecule
193: ok 938 # SMARTS matched the SMILES molecule
193: ok 939 # SMARTS matched the SMILES molecule
193: ok 940 # SMARTS matched the SMILES molecule
193: ok 941 # SMARTS matched the SMILES molecule
193: ok 942 # SMARTS matched the SMILES molecule
193: ok 943 # SMARTS matched the SMILES molecule
193: ok 944 # SMARTS matched the SMILES molecule
193: ok 945 # SMARTS matched the SMILES molecule
193: ok 946 # SMARTS matched the SMILES molecule
193: ok 947 # SMARTS matched the SMILES molecule
193: ok 948 # SMARTS matched the SMILES molecule
193: ok 949 # SMARTS matched the SMILES molecule
193: ok 950 # SMARTS matched the SMILES molecule
193: ok 951 # SMARTS matched the SMILES molecule
193: ok 952 # SMARTS matched the SMILES molecule
193: ok 953 # SMARTS matched the SMILES molecule
193: ok 954 # SMARTS matched the SMILES molecule
193: ok 955 # SMARTS matched the SMILES molecule
193: ok 956 # SMARTS matched the SMILES molecule
193: ok 957 # SMARTS matched the SMILES molecule
193: ok 958 # SMARTS matched the SMILES molecule
193: ok 959 # SMARTS matched the SMILES molecule
193: ok 960 # SMARTS matched the SMILES molecule
193: ok 961 # SMARTS matched the SMILES molecule
193: ok 962 # SMARTS matched the SMILES molecule
193: ok 963 # SMARTS matched the SMILES molecule
193: ok 964 # SMARTS matched the SMILES molecule
193: ok 965 # SMARTS matched the SMILES molecule
193: ok 966 # SMARTS matched the SMILES molecule
193: ok 967 # SMARTS matched the SMILES molecule
193: ok 968 # SMARTS matched the SMILES molecule
193: ok 969 # SMARTS matched the SMILES molecule
193: ok 970 # SMARTS matched the SMILES molecule
193: ok 971 # SMARTS matched the SMILES molecule
193: ok 972 # SMARTS matched the SMILES molecule
193: ok 973 # SMARTS matched the SMILES molecule
193: ok 974 # SMARTS matched the SMILES molecule
193: ok 975 # SMARTS matched the SMILES molecule
193: ok 976 # SMARTS matched the SMILES molecule
193: ok 977 # SMARTS matched the SMILES molecule
193: ok 978 # SMARTS matched the SMILES molecule
193: ok 979 # SMARTS matched the SMILES molecule
193: ok 980 # SMARTS matched the SMILES molecule
193: ok 981 # SMARTS matched the SMILES molecule
193: ok 982 # SMARTS matched the SMILES molecule
193: ok 983 # SMARTS matched the SMILES molecule
193: ok 984 # SMARTS matched the SMILES molecule
193: ok 985 # SMARTS matched the SMILES molecule
193: ok 986 # SMARTS matched the SMILES molecule
193: ok 987 # SMARTS matched the SMILES molecule
193: ok 988 # SMARTS matched the SMILES molecule
193: ok 989 # SMARTS matched the SMILES molecule
193: ok 990 # SMARTS matched the SMILES molecule
193: ok 991 # SMARTS matched the SMILES molecule
193: ok 992 # SMARTS matched the SMILES molecule
193: ok 993 # SMARTS matched the SMILES molecule
193: ok 994 # SMARTS matched the SMILES molecule
193: 1..994
194: # Testing unit cell transformations ...
194: 1..12
194: ok 1 # a distance
194: ok 2 # b distance
194: ok 3 # c distance
194: ok 4 # alpha angle
194: ok 5 # beta angle
194: ok 6 # gamma angle
194: ok 7 # a distance
194: ok 8 # b distance
194: ok 9 # c distance
194: ok 10 # a angle
194: ok 11 # beta angle
194: ok 12 # gamma angle
194: # Testing unit cell coordinate functions ...
194: 13..24
194: ok 13 # wrapped cartesian x
194: ok 14 # wrapped cartesian y
194: ok 15 # wrapped cartesian z
194: ok 16 # wrapped fractional x
194: ok 17 # wrapped fractional y
194: ok 18 # wrapped fractional z
194: ok 19 # cart2frac x
194: ok 20 # cart2frac y
194: ok 21 # cart2frac z
194: ok 22 # frac2cart x
194: ok 23 # frac2cart y
194: ok 24 # frac2cart z
194: # cell volume 45.64
194: # lattice type 2
194: # cell volume 45.64
194: # lattice type 2
198: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64
199: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64
200: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64
200: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testfastsearch.py:1: SyntaxWarning: invalid escape sequence '\P'
200:   """Test OpenBabel executables from Python
200: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testfastsearch.py:30: SyntaxWarning: invalid escape sequence '\C'
200:   smiles = """C12(C(N(C(=O)C)c3c2cccc3)=O)Nc2c(ccc(c2N1)OCCCC)OCCCC
200: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:1: SyntaxWarning: invalid escape sequence '\P'
200:   """Test OpenBabel executables from Python
200: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:101: SyntaxWarning: invalid escape sequence '\d'
200:   pat = "(-?\d.*) molecule(?:s?) converted"
200: .
200: ----------------------------------------------------------------------
200: Ran 1 test in 0.139s
200: 
200: OK
200: 
201: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64
201: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testunique.py:1: SyntaxWarning: invalid escape sequence '\P'
201:   """Test OpenBabel executables from Python
201: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testunique.py:26: SyntaxWarning: invalid escape sequence '\F'
201:   self.smiles = """C	methane
201: /usr/lib64/python3.13/subprocess.py:1022: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
201:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
201: /usr/lib64/python3.13/subprocess.py:1028: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
201:   self.stdout = io.open(c2pread, 'rb', bufsize)
201: /usr/lib64/python3.13/subprocess.py:1033: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
201:   self.stderr = io.open(errread, 'rb', bufsize)
201: .
201: ----------------------------------------------------------------------
201: Ran 1 test in 0.428s
201: 
201: OK
201: 
202: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64
203: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64
203: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testpdbformat.py:1: SyntaxWarning: invalid escape sequence '\P'
203:   """Test OpenBabel executables from Python
203: /usr/lib64/python3.13/subprocess.py:1022: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
203:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
203: /usr/lib64/python3.13/subprocess.py:1028: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
203:   self.stdout = io.open(c2pread, 'rb', bufsize)
203: /usr/lib64/python3.13/subprocess.py:1033: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
203:   self.stderr = io.open(errread, 'rb', bufsize)
203: .
203: ----------------------------------------------------------------------
203: Ran 1 test in 0.044s
203: 
203: OK
203: 
204: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64
204: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/test_pybel.py:1: SyntaxWarning: invalid escape sequence '\P'
204:   """Test OpenBabel Python bindings
204: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbindings.py:1: SyntaxWarning: invalid escape sequence '\P'
204:   """Test OpenBabel Python bindings
204: .........................==============================
204: *** Open Babel Warning  in WriteMolecule
204:   No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D.
204: .....==============================
204: *** Open Babel Error  in SMARTSError
204:   SMARTS Error:
204: [#NOEL][#NOEL]
204:   ^
204: 
204: ....
204: ----------------------------------------------------------------------
204: Ran 34 tests in 0.227s
204: 
204: OK
204: 
160/208 Test  #63: test_lssr_3 ......................   Passed    1.20 sec
161/208 Test #158: test_cansmi_1 ....................   Passed    0.98 sec
162/208 Test #175: test_invalidsmarts_1 .............   Passed    0.77 sec
163/208 Test #176: test_invalidsmiles_1 .............   Passed    0.76 sec
164/208 Test #177: test_iterators_1 .................   Passed    0.76 sec
165/208 Test #178: test_logp_psa_1 ..................   Passed    0.76 sec
166/208 Test #181: test_math_3 ......................   Passed    0.75 sec
167/208 Test #183: test_mol_1 .......................   Passed    0.74 sec
168/208 Test #184: test_pdbreadfile_1 ...............   Passed    0.74 sec
169/208 Test #185: test_pdbreadfile_2 ...............   Passed    0.74 sec
170/208 Test #186: test_pdbreadfile_3 ...............   Passed    0.74 sec
171/208 Test #187: test_pdbreadfile_4 ...............   Passed    0.73 sec
172/208 Test #188: test_phmodel_1 ...................   Passed    0.73 sec
173/208 Test #189: test_residue_1 ...................   Passed    0.73 sec
174/208 Test #192: test_smartsparse_1 ...............   Passed    0.72 sec
175/208 Test #194: test_unitcell_1 ..................   Passed    0.72 sec
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s14_nov.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s17_gnr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s19_mc9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s1j_iqz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s1s_wac.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s22_ula.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s2c_flf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s38_maq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s39_aqo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s3v_tqd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s3w_tqt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s5z_son.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s64_778.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s6h_4bz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s6p_iet.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s6q_tpb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s83_4ha.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s8c_bla.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s9d_afb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s9e_adb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s9f_ddy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s9g_abz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s9i_5ea.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s9j_bbm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s9p_des.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sa5_bmv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sc7_m38.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sc8_2in.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1scq_cnh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sd3_sym.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ses_ahx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1seu_sa3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sff_ik2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1siv_psi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sj0_e4d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1skj_ur2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1skx_rfp.sdf
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162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.012,  -1.043,   0.412)  ( -1.012,  -1.043,   0.412)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.231,   0.300,  -0.010)  ( -0.231,   0.300,  -0.010)  ( 0.00,  0.00,  0.00)
162: ok 16 # gradients 
162: ok 17 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (280.385,  79.113, -45.579)  (280.423,  79.148, -45.561)  ( 0.01,  0.04,  0.04)
162:     bond    (269.764,  65.096, -61.045)  (269.793,  65.121, -61.035)  ( 0.01,  0.04,  0.02)
162:     angle   ( -0.386,   0.172,  -0.097)  ( -0.379,   0.180,  -0.092)  ( 0.28,  0.15,  0.05)
162:     torsion ( -0.078,   0.077,   0.128)  ( -0.077,   0.078,   0.131)  ( 0.01,  0.01,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 11.087,  13.768,  15.435)  ( 11.087,  13.769,  15.435)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  2       ( -0.039, 251.973, -153.609)  ( -0.000, 252.014, -153.597)  ( 0.15,  0.02,  0.01)
162:     bond    ( -0.027, 231.339, -164.452)  (  0.000, 231.370, -164.446)  ( 0.07,  0.01,  0.00)
162:     angle   ( -0.010,   0.062,  -0.251)  ( -0.000,   0.070,  -0.248)  ( 0.01,  0.05,  0.09)
162:     torsion ( -0.001,  -0.029,  -0.095)  ( -0.000,  -0.028,  -0.091)  ( 0.00,  0.00,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.001,  20.601,  11.189)  (  0.000,  20.601,  11.189)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  3       ( -0.039, -252.054, -153.609)  (  0.000, -252.014, -153.597)  ( 0.15,  0.02,  0.01)
162:     bond    ( -0.027, -231.402, -164.452)  (  0.000, -231.370, -164.446)  ( 0.07,  0.01,  0.00)
162:     angle   ( -0.010,  -0.078,  -0.251)  ( -0.000,  -0.070,  -0.248)  ( 0.01,  0.06,  0.09)
162:     torsion ( -0.001,   0.027,  -0.095)  (  0.000,   0.028,  -0.091)  ( 0.00,  0.00,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.001, -20.602,  11.189)  (  0.000, -20.601,  11.189)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  4       (280.385, -79.182, -45.579)  (280.423, -79.148, -45.561)  ( 0.01,  0.04,  0.04)
162:     bond    (269.764, -65.145, -61.045)  (269.793, -65.121, -61.035)  ( 0.01,  0.04,  0.02)
162:     angle   ( -0.386,  -0.189,  -0.097)  ( -0.379,  -0.180,  -0.092)  ( 0.28,  0.16,  0.05)
162:     torsion ( -0.078,  -0.079,   0.128)  ( -0.077,  -0.078,   0.131)  ( 0.01,  0.01,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 11.087, -13.769,  15.435)  ( 11.087, -13.769,  15.435)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  5       (-127.758, 175.179, -201.805)  (-127.730, 175.217, -201.780)  ( 0.02,  0.02,  0.01)
162:     bond    (-105.528, 167.839, -204.493)  (-105.508, 167.867, -204.477)  ( 0.02,  0.02,  0.01)
162:     angle   ( -0.037,   0.417,   0.081)  ( -0.030,   0.425,   0.086)  ( 0.03,  0.36,  0.04)
162:     torsion (  0.072,   0.059,  -0.086)  (  0.074,   0.061,  -0.083)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-22.266,   6.864,   2.694)  (-22.266,   6.864,   2.694)  ( 0.00,  0.01,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  6       (-127.758, -175.256, -201.805)  (-127.730, -175.217, -201.780)  ( 0.02,  0.02,  0.01)
162:     bond    (-105.528, -167.895, -204.493)  (-105.508, -167.867, -204.477)  ( 0.02,  0.02,  0.01)
162:     angle   ( -0.037,  -0.434,   0.081)  ( -0.030,  -0.425,   0.086)  ( 0.03,  0.38,  0.04)
162:     torsion (  0.072,  -0.062,  -0.086)  (  0.074,  -0.061,  -0.083)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-22.266,  -6.865,   2.694)  (-22.266,  -6.864,   2.694)  ( 0.00,  0.01,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  7       (-280.461,  79.113, -45.579)  (-280.423,  79.148, -45.561)  ( 0.01,  0.04,  0.04)
162:     bond    (-269.822,  65.096, -61.045)  (-269.793,  65.121, -61.035)  ( 0.01,  0.04,  0.02)
162:     angle   (  0.372,   0.172,  -0.097)  (  0.379,   0.180,  -0.092)  ( 0.27,  0.15,  0.05)
162:     torsion (  0.076,   0.077,   0.128)  (  0.077,   0.078,   0.131)  ( 0.01,  0.01,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-11.087,  13.768,  15.435)  (-11.087,  13.769,  15.435)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  8       (-280.461, -79.182, -45.579)  (-280.423, -79.148, -45.561)  ( 0.01,  0.04,  0.04)
162:     bond    (-269.822, -65.145, -61.045)  (-269.793, -65.121, -61.035)  ( 0.01,  0.04,  0.02)
162:     angle   (  0.372,  -0.189,  -0.097)  (  0.379,  -0.180,  -0.092)  ( 0.27,  0.16,  0.05)
162:     torsion (  0.076,  -0.079,   0.128)  (  0.077,  -0.078,   0.131)  ( 0.01,  0.01,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-11.087, -13.769,  15.435)  (-11.087, -13.769,  15.435)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  9       (175.179, 201.756, 127.701)  (175.217, 201.780, 127.730)  ( 0.02,  0.01,  0.02)
162:     bond    (167.839, 204.461, 105.488)  (167.867, 204.477, 105.508)  ( 0.02,  0.01,  0.02)
162:     angle   (  0.417,  -0.092,   0.023)  (  0.425,  -0.086,   0.030)  ( 0.36,  0.05,  0.02)
162:     torsion (  0.059,   0.081,  -0.075)  (  0.061,   0.083,  -0.074)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.864,  -2.694,  22.265)  (  6.864,  -2.694,  22.266)  ( 0.01,  0.01,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 10       ( 45.542, 280.385,  79.113)  ( 45.561, 280.423,  79.148)  ( 0.04,  0.01,  0.04)
162:     bond    ( 61.024, 269.764,  65.096)  ( 61.035, 269.793,  65.121)  ( 0.02,  0.01,  0.04)
162:     angle   (  0.087,  -0.386,   0.172)  (  0.092,  -0.379,   0.180)  ( 0.05,  0.28,  0.15)
162:     torsion ( -0.134,  -0.078,   0.077)  ( -0.131,  -0.077,   0.078)  ( 0.04,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-15.435,  11.087,  13.768)  (-15.435,  11.087,  13.769)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 11       ( 45.542, -280.461,  79.113)  ( 45.561, -280.423,  79.148)  ( 0.04,  0.01,  0.04)
162:     bond    ( 61.024, -269.822,  65.096)  ( 61.035, -269.793,  65.121)  ( 0.02,  0.01,  0.04)
162:     angle   (  0.087,   0.372,   0.172)  (  0.092,   0.379,   0.180)  ( 0.05,  0.27,  0.15)
162:     torsion ( -0.134,   0.076,   0.077)  ( -0.131,   0.077,   0.078)  ( 0.04,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-15.435, -11.087,  13.768)  (-15.435, -11.087,  13.769)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 12       (175.179, -201.805, 127.701)  (175.217, -201.780, 127.730)  ( 0.02,  0.01,  0.02)
162:     bond    (167.839, -204.493, 105.488)  (167.867, -204.477, 105.508)  ( 0.02,  0.01,  0.02)
162:     angle   (  0.417,   0.081,   0.023)  (  0.425,   0.086,   0.030)  ( 0.36,  0.04,  0.02)
162:     torsion (  0.059,  -0.086,  -0.075)  (  0.061,  -0.083,  -0.074)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.864,   2.694,  22.265)  (  6.864,   2.694,  22.266)  ( 0.01,  0.01,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 13       (201.756, -127.758, -175.256)  (201.780, -127.730, -175.217)  ( 0.01,  0.02,  0.02)
162:     bond    (204.461, -105.528, -167.895)  (204.477, -105.508, -167.867)  ( 0.01,  0.02,  0.02)
162:     angle   ( -0.092,  -0.037,  -0.434)  ( -0.086,  -0.030,  -0.425)  ( 0.05,  0.03,  0.38)
162:     torsion (  0.081,   0.072,  -0.062)  (  0.083,   0.074,  -0.061)  ( 0.02,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.694, -22.266,  -6.865)  ( -2.694, -22.266,  -6.864)  ( 0.01,  0.00,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 14       (-79.182,  45.542, -280.461)  (-79.148,  45.561, -280.423)  ( 0.04,  0.04,  0.01)
162:     bond    (-65.145,  61.024, -269.822)  (-65.121,  61.035, -269.793)  ( 0.04,  0.02,  0.01)
162:     angle   ( -0.189,   0.087,   0.372)  ( -0.180,   0.092,   0.379)  ( 0.16,  0.05,  0.27)
162:     torsion ( -0.079,  -0.134,   0.076)  ( -0.078,  -0.131,   0.077)  ( 0.01,  0.04,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-13.769, -15.435, -11.087)  (-13.769, -15.435, -11.087)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 15       (201.756, -127.758, 175.179)  (201.780, -127.730, 175.217)  ( 0.01,  0.02,  0.02)
162:     bond    (204.461, -105.528, 167.839)  (204.477, -105.508, 167.867)  ( 0.01,  0.02,  0.02)
162:     angle   ( -0.092,  -0.037,   0.417)  ( -0.086,  -0.030,   0.425)  ( 0.05,  0.03,  0.36)
162:     torsion (  0.081,   0.072,   0.059)  (  0.083,   0.074,   0.061)  ( 0.02,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.694, -22.266,   6.864)  ( -2.694, -22.266,   6.864)  ( 0.01,  0.00,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 16       (-252.054, 153.584,  -0.039)  (-252.014, 153.597,   0.000)  ( 0.02,  0.01,  0.15)
162:     bond    (-231.402, 164.441,  -0.027)  (-231.370, 164.446,   0.000)  ( 0.01,  0.00,  0.07)
162:     angle   ( -0.078,   0.245,  -0.010)  ( -0.070,   0.248,   0.000)  ( 0.06,  0.08,  0.01)
162:     torsion (  0.027,   0.087,  -0.001)  (  0.028,   0.091,  -0.000)  ( 0.00,  0.03,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-20.602, -11.189,  -0.001)  (-20.601, -11.189,  -0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 17       (127.701, -175.256, -201.805)  (127.730, -175.217, -201.780)  ( 0.02,  0.02,  0.01)
162:     bond    (105.488, -167.895, -204.493)  (105.508, -167.867, -204.477)  ( 0.02,  0.02,  0.01)
162:     angle   (  0.023,  -0.434,   0.081)  (  0.030,  -0.425,   0.086)  ( 0.02,  0.38,  0.04)
162:     torsion ( -0.075,  -0.062,  -0.086)  ( -0.074,  -0.061,  -0.083)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 22.265,  -6.865,   2.694)  ( 22.266,  -6.864,   2.694)  ( 0.00,  0.01,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 18       (-175.256, 201.756, 127.701)  (-175.217, 201.780, 127.730)  ( 0.02,  0.01,  0.02)
162:     bond    (-167.895, 204.461, 105.488)  (-167.867, 204.477, 105.508)  ( 0.02,  0.01,  0.02)
162:     angle   ( -0.434,  -0.092,   0.023)  ( -0.425,  -0.086,   0.030)  ( 0.38,  0.05,  0.02)
162:     torsion ( -0.062,   0.081,  -0.075)  ( -0.061,   0.083,  -0.074)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.865,  -2.694,  22.265)  ( -6.864,  -2.694,  22.266)  ( 0.01,  0.01,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 19       (-79.182,  45.542, 280.385)  (-79.148,  45.561, 280.423)  ( 0.04,  0.04,  0.01)
162:     bond    (-65.145,  61.024, 269.764)  (-65.121,  61.035, 269.793)  ( 0.04,  0.02,  0.01)
162:     angle   ( -0.189,   0.087,  -0.386)  ( -0.180,   0.092,  -0.379)  ( 0.16,  0.05,  0.28)
162:     torsion ( -0.079,  -0.134,  -0.078)  ( -0.078,  -0.131,  -0.077)  ( 0.01,  0.04,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-13.769, -15.435,  11.087)  (-13.769, -15.435,  11.087)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 20       ( 79.113,  45.542, -280.461)  ( 79.148,  45.561, -280.423)  ( 0.04,  0.04,  0.01)
162:     bond    ( 65.096,  61.024, -269.822)  ( 65.121,  61.035, -269.793)  ( 0.04,  0.02,  0.01)
162:     angle   (  0.172,   0.087,   0.372)  (  0.180,   0.092,   0.379)  ( 0.15,  0.05,  0.27)
162:     torsion (  0.077,  -0.134,   0.076)  (  0.078,  -0.131,   0.077)  ( 0.01,  0.04,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.768, -15.435, -11.087)  ( 13.769, -15.435, -11.087)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 21       (127.701, 175.179, -201.805)  (127.730, 175.217, -201.780)  ( 0.02,  0.02,  0.01)
162:     bond    (105.488, 167.839, -204.493)  (105.508, 167.867, -204.477)  ( 0.02,  0.02,  0.01)
162:     angle   (  0.023,   0.417,   0.081)  (  0.030,   0.425,   0.086)  ( 0.02,  0.36,  0.04)
162:     torsion ( -0.075,   0.059,  -0.086)  ( -0.074,   0.061,  -0.083)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 22.265,   6.864,   2.694)  ( 22.266,   6.864,   2.694)  ( 0.00,  0.01,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 22       (153.584,  -0.039, 251.973)  (153.597,   0.000, 252.014)  ( 0.01,  0.15,  0.02)
162:     bond    (164.441,  -0.027, 231.339)  (164.446,   0.000, 231.370)  ( 0.00,  0.07,  0.01)
162:     angle   (  0.245,  -0.010,   0.062)  (  0.248,  -0.000,   0.070)  ( 0.08,  0.01,  0.05)
162:     torsion (  0.087,  -0.001,  -0.029)  (  0.091,   0.000,  -0.028)  ( 0.03,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-11.189,  -0.001,  20.601)  (-11.189,   0.000,  20.601)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 23       (201.756, 127.701, -175.256)  (201.780, 127.730, -175.217)  ( 0.01,  0.02,  0.02)
162:     bond    (204.461, 105.488, -167.895)  (204.477, 105.508, -167.867)  ( 0.01,  0.02,  0.02)
162:     angle   ( -0.092,   0.023,  -0.434)  ( -0.086,   0.030,  -0.425)  ( 0.05,  0.02,  0.38)
162:     torsion (  0.081,  -0.075,  -0.062)  (  0.083,  -0.074,  -0.061)  ( 0.02,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.694,  22.265,  -6.865)  ( -2.694,  22.266,  -6.864)  ( 0.01,  0.00,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 24       (-45.579, -280.461,  79.113)  (-45.561, -280.423,  79.148)  ( 0.04,  0.01,  0.04)
162:     bond    (-61.045, -269.822,  65.096)  (-61.035, -269.793,  65.121)  ( 0.02,  0.01,  0.04)
162:     angle   ( -0.097,   0.372,   0.172)  ( -0.092,   0.379,   0.180)  ( 0.05,  0.27,  0.15)
162:     torsion (  0.128,   0.076,   0.077)  (  0.131,   0.077,   0.078)  ( 0.04,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 15.435, -11.087,  13.768)  ( 15.435, -11.087,  13.769)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 25       (-79.182, -45.579, -280.461)  (-79.148, -45.561, -280.423)  ( 0.04,  0.04,  0.01)
162:     bond    (-65.145, -61.045, -269.822)  (-65.121, -61.035, -269.793)  ( 0.04,  0.02,  0.01)
162:     angle   ( -0.189,  -0.097,   0.372)  ( -0.180,  -0.092,   0.379)  ( 0.16,  0.05,  0.27)
162:     torsion ( -0.079,   0.128,   0.076)  ( -0.078,   0.131,   0.077)  ( 0.01,  0.04,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-13.769,  15.435, -11.087)  (-13.769,  15.435, -11.087)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 26       (-175.256, -201.805, 127.701)  (-175.217, -201.780, 127.730)  ( 0.02,  0.01,  0.02)
162:     bond    (-167.895, -204.493, 105.488)  (-167.867, -204.477, 105.508)  ( 0.02,  0.01,  0.02)
162:     angle   ( -0.434,   0.081,   0.023)  ( -0.425,   0.086,   0.030)  ( 0.38,  0.04,  0.02)
162:     torsion ( -0.062,  -0.086,  -0.075)  ( -0.061,  -0.083,  -0.074)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.865,   2.694,  22.265)  ( -6.864,   2.694,  22.266)  ( 0.01,  0.01,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 27       (201.756, 127.701, 175.179)  (201.780, 127.730, 175.217)  ( 0.01,  0.02,  0.02)
162:     bond    (204.461, 105.488, 167.839)  (204.477, 105.508, 167.867)  ( 0.01,  0.02,  0.02)
162:     angle   ( -0.092,   0.023,   0.417)  ( -0.086,   0.030,   0.425)  ( 0.05,  0.02,  0.36)
162:     torsion (  0.081,  -0.075,   0.059)  (  0.083,  -0.074,   0.061)  ( 0.02,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.694,  22.265,   6.864)  ( -2.694,  22.266,   6.864)  ( 0.01,  0.00,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 28       (-252.054, -153.609,  -0.039)  (-252.014, -153.597,   0.000)  ( 0.02,  0.01,  0.15)
162:     bond    (-231.402, -164.452,  -0.027)  (-231.370, -164.446,   0.000)  ( 0.01,  0.00,  0.07)
162:     angle   ( -0.078,  -0.251,  -0.010)  ( -0.070,  -0.248,   0.000)  ( 0.06,  0.09,  0.01)
162:     torsion (  0.027,  -0.095,  -0.001)  (  0.028,  -0.091,   0.000)  ( 0.00,  0.03,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-20.602,  11.189,  -0.001)  (-20.601,  11.189,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 29       ( 79.113, -45.579, -280.461)  ( 79.148, -45.561, -280.423)  ( 0.04,  0.04,  0.01)
162:     bond    ( 65.096, -61.045, -269.822)  ( 65.121, -61.035, -269.793)  ( 0.04,  0.02,  0.01)
162:     angle   (  0.172,  -0.097,   0.372)  (  0.180,  -0.092,   0.379)  ( 0.15,  0.05,  0.27)
162:     torsion (  0.077,   0.128,   0.076)  (  0.078,   0.131,   0.077)  ( 0.01,  0.04,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.768,  15.435, -11.087)  ( 13.769,  15.435, -11.087)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 30       (251.973, 153.584,  -0.039)  (252.014, 153.597,   0.000)  ( 0.02,  0.01,  0.15)
162:     bond    (231.339, 164.441,  -0.027)  (231.370, 164.446,   0.000)  ( 0.01,  0.00,  0.07)
162:     angle   (  0.062,   0.245,  -0.010)  (  0.070,   0.248,   0.000)  ( 0.05,  0.08,  0.01)
162:     torsion ( -0.029,   0.087,  -0.001)  ( -0.028,   0.091,   0.000)  ( 0.00,  0.03,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 20.601, -11.189,  -0.001)  ( 20.601, -11.189,  -0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 31       (153.584,  -0.039, -252.054)  (153.597,  -0.000, -252.014)  ( 0.01,  0.15,  0.02)
162:     bond    (164.441,  -0.027, -231.402)  (164.446,   0.000, -231.370)  ( 0.00,  0.07,  0.01)
162:     angle   (  0.245,  -0.010,  -0.078)  (  0.248,   0.000,  -0.070)  ( 0.08,  0.01,  0.06)
162:     torsion (  0.087,  -0.001,   0.027)  (  0.091,  -0.000,   0.028)  ( 0.03,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-11.189,  -0.001, -20.602)  (-11.189,  -0.000, -20.601)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 32       (-45.579, 280.385,  79.113)  (-45.561, 280.423,  79.148)  ( 0.04,  0.01,  0.04)
162:     bond    (-61.045, 269.764,  65.096)  (-61.035, 269.793,  65.121)  ( 0.02,  0.01,  0.04)
162:     angle   ( -0.097,  -0.386,   0.172)  ( -0.092,  -0.379,   0.180)  ( 0.05,  0.28,  0.15)
162:     torsion (  0.128,  -0.078,   0.077)  (  0.131,  -0.077,   0.078)  ( 0.04,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 15.435,  11.087,  13.768)  ( 15.435,  11.087,  13.769)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 33       (-79.182, -45.579, 280.385)  (-79.148, -45.561, 280.423)  ( 0.04,  0.04,  0.01)
162:     bond    (-65.145, -61.045, 269.764)  (-65.121, -61.035, 269.793)  ( 0.04,  0.02,  0.01)
162:     angle   ( -0.189,  -0.097,  -0.386)  ( -0.180,  -0.092,  -0.379)  ( 0.16,  0.05,  0.28)
162:     torsion ( -0.079,   0.128,  -0.078)  ( -0.078,   0.131,  -0.077)  ( 0.01,  0.04,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-13.769,  15.435,  11.087)  (-13.769,  15.435,  11.087)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 34       (251.973, -153.609,  -0.039)  (252.014, -153.597,  -0.000)  ( 0.02,  0.01,  0.15)
162:     bond    (231.339, -164.452,  -0.027)  (231.370, -164.446,   0.000)  ( 0.01,  0.00,  0.07)
162:     angle   (  0.062,  -0.251,  -0.010)  (  0.070,  -0.248,   0.000)  ( 0.05,  0.09,  0.01)
162:     torsion ( -0.029,  -0.095,  -0.001)  ( -0.028,  -0.091,  -0.000)  ( 0.00,  0.03,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 20.601,  11.189,  -0.001)  ( 20.601,  11.189,  -0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 35       (-201.805, 127.701, -175.256)  (-201.780, 127.730, -175.217)  ( 0.01,  0.02,  0.02)
162:     bond    (-204.493, 105.488, -167.895)  (-204.477, 105.508, -167.867)  ( 0.01,  0.02,  0.02)
162:     angle   (  0.081,   0.023,  -0.434)  (  0.086,   0.030,  -0.425)  ( 0.04,  0.02,  0.38)
162:     torsion ( -0.086,  -0.075,  -0.062)  ( -0.083,  -0.074,  -0.061)  ( 0.02,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.694,  22.265,  -6.865)  (  2.694,  22.266,  -6.864)  ( 0.01,  0.00,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 36       (-201.805, 127.701, 175.179)  (-201.780, 127.730, 175.217)  ( 0.01,  0.02,  0.02)
162:     bond    (-204.493, 105.488, 167.839)  (-204.477, 105.508, 167.867)  ( 0.01,  0.02,  0.02)
162:     angle   (  0.081,   0.023,   0.417)  (  0.086,   0.030,   0.425)  ( 0.04,  0.02,  0.36)
162:     torsion ( -0.086,  -0.075,   0.059)  ( -0.083,  -0.074,   0.061)  ( 0.02,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.694,  22.265,   6.864)  (  2.694,  22.266,   6.864)  ( 0.01,  0.00,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 37       (-153.609,  -0.039, 251.973)  (-153.597,  -0.000, 252.014)  ( 0.01,  0.15,  0.02)
162:     bond    (-164.452,  -0.027, 231.339)  (-164.446,   0.000, 231.370)  ( 0.00,  0.07,  0.01)
162:     angle   ( -0.251,  -0.010,   0.062)  ( -0.248,   0.000,   0.070)  ( 0.09,  0.01,  0.05)
162:     torsion ( -0.095,  -0.001,  -0.029)  ( -0.091,  -0.000,  -0.028)  ( 0.03,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 11.189,  -0.001,  20.601)  ( 11.189,  -0.000,  20.601)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 38       (-201.805, -127.758, -175.256)  (-201.780, -127.730, -175.217)  ( 0.01,  0.02,  0.02)
162:     bond    (-204.493, -105.528, -167.895)  (-204.477, -105.508, -167.867)  ( 0.01,  0.02,  0.02)
162:     angle   (  0.081,  -0.037,  -0.434)  (  0.086,  -0.030,  -0.425)  ( 0.04,  0.03,  0.38)
162:     torsion ( -0.086,   0.072,  -0.062)  ( -0.083,   0.074,  -0.061)  ( 0.02,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.694, -22.266,  -6.865)  (  2.694, -22.266,  -6.864)  ( 0.01,  0.00,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 39       (-201.805, -127.758, 175.179)  (-201.780, -127.730, 175.217)  ( 0.01,  0.02,  0.02)
162:     bond    (-204.493, -105.528, 167.839)  (-204.477, -105.508, 167.867)  ( 0.01,  0.02,  0.02)
162:     angle   (  0.081,  -0.037,   0.417)  (  0.086,  -0.030,   0.425)  ( 0.04,  0.03,  0.36)
162:     torsion ( -0.086,   0.072,   0.059)  ( -0.083,   0.074,   0.061)  ( 0.02,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.694, -22.266,   6.864)  (  2.694, -22.266,   6.864)  ( 0.01,  0.00,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 40       ( 79.113, -45.579, 280.385)  ( 79.148, -45.561, 280.423)  ( 0.04,  0.04,  0.01)
162:     bond    ( 65.096, -61.045, 269.764)  ( 65.121, -61.035, 269.793)  ( 0.04,  0.02,  0.01)
162:     angle   (  0.172,  -0.097,  -0.386)  (  0.180,  -0.092,  -0.379)  ( 0.15,  0.05,  0.28)
162:     torsion (  0.077,   0.128,  -0.078)  (  0.078,   0.131,  -0.077)  ( 0.01,  0.04,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.768,  15.435,  11.087)  ( 13.769,  15.435,  11.087)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 41       (-175.256, -201.805, -127.758)  (-175.217, -201.780, -127.730)  ( 0.02,  0.01,  0.02)
162:     bond    (-167.895, -204.493, -105.528)  (-167.867, -204.477, -105.508)  ( 0.02,  0.01,  0.02)
162:     angle   ( -0.434,   0.081,  -0.037)  ( -0.425,   0.086,  -0.030)  ( 0.38,  0.04,  0.03)
162:     torsion ( -0.062,  -0.086,   0.072)  ( -0.061,  -0.083,   0.074)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.865,   2.694, -22.266)  ( -6.864,   2.694, -22.266)  ( 0.01,  0.01,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 42       (-280.461,  79.113,  45.542)  (-280.423,  79.148,  45.561)  ( 0.01,  0.04,  0.04)
162:     bond    (-269.822,  65.096,  61.024)  (-269.793,  65.121,  61.035)  ( 0.01,  0.04,  0.02)
162:     angle   (  0.372,   0.172,   0.087)  (  0.379,   0.180,   0.092)  ( 0.27,  0.15,  0.05)
162:     torsion (  0.076,   0.077,  -0.134)  (  0.077,   0.078,  -0.131)  ( 0.01,  0.01,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-11.087,  13.768, -15.435)  (-11.087,  13.769, -15.435)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 43       (175.179, -201.805, -127.758)  (175.217, -201.780, -127.730)  ( 0.02,  0.01,  0.02)
162:     bond    (167.839, -204.493, -105.528)  (167.867, -204.477, -105.508)  ( 0.02,  0.01,  0.02)
162:     angle   (  0.417,   0.081,  -0.037)  (  0.425,   0.086,  -0.030)  ( 0.36,  0.04,  0.03)
162:     torsion (  0.059,  -0.086,   0.072)  (  0.061,  -0.083,   0.074)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.864,   2.694, -22.266)  (  6.864,   2.694, -22.266)  ( 0.01,  0.01,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 44       ( 45.542, 280.385, -79.182)  ( 45.561, 280.423, -79.148)  ( 0.04,  0.01,  0.04)
162:     bond    ( 61.024, 269.764, -65.145)  ( 61.035, 269.793, -65.121)  ( 0.02,  0.01,  0.04)
162:     angle   (  0.087,  -0.386,  -0.189)  (  0.092,  -0.379,  -0.180)  ( 0.05,  0.28,  0.16)
162:     torsion ( -0.134,  -0.078,  -0.079)  ( -0.131,  -0.077,  -0.078)  ( 0.04,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-15.435,  11.087, -13.769)  (-15.435,  11.087, -13.769)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 45       (-45.579, 280.385, -79.182)  (-45.561, 280.423, -79.148)  ( 0.04,  0.01,  0.04)
162:     bond    (-61.045, 269.764, -65.145)  (-61.035, 269.793, -65.121)  ( 0.02,  0.01,  0.04)
162:     angle   ( -0.097,  -0.386,  -0.189)  ( -0.092,  -0.379,  -0.180)  ( 0.05,  0.28,  0.16)
162:     torsion (  0.128,  -0.078,  -0.079)  (  0.131,  -0.077,  -0.078)  ( 0.04,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 15.435,  11.087, -13.769)  ( 15.435,  11.087, -13.769)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 46       ( 45.542, -280.461, -79.182)  ( 45.561, -280.423, -79.148)  ( 0.04,  0.01,  0.04)
162:     bond    ( 61.024, -269.822, -65.145)  ( 61.035, -269.793, -65.121)  ( 0.02,  0.01,  0.04)
162:     angle   (  0.087,   0.372,  -0.189)  (  0.092,   0.379,  -0.180)  ( 0.05,  0.27,  0.16)
162:     torsion ( -0.134,   0.076,  -0.079)  ( -0.131,   0.077,  -0.078)  ( 0.04,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-15.435, -11.087, -13.769)  (-15.435, -11.087, -13.769)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 47       (-127.758, -175.256, 201.756)  (-127.730, -175.217, 201.780)  ( 0.02,  0.02,  0.01)
162:     bond    (-105.528, -167.895, 204.461)  (-105.508, -167.867, 204.477)  ( 0.02,  0.02,  0.01)
162:     angle   ( -0.037,  -0.434,  -0.092)  ( -0.030,  -0.425,  -0.086)  ( 0.03,  0.38,  0.05)
162:     torsion (  0.072,  -0.062,   0.081)  (  0.074,  -0.061,   0.083)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-22.266,  -6.865,  -2.694)  (-22.266,  -6.864,  -2.694)  ( 0.00,  0.01,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 48       (-153.609,  -0.039, -252.054)  (-153.597,   0.000, -252.014)  ( 0.01,  0.15,  0.02)
162:     bond    (-164.452,  -0.027, -231.402)  (-164.446,   0.000, -231.370)  ( 0.00,  0.07,  0.01)
162:     angle   ( -0.251,  -0.010,  -0.078)  ( -0.248,   0.000,  -0.070)  ( 0.09,  0.01,  0.06)
162:     torsion ( -0.095,  -0.001,   0.027)  ( -0.091,   0.000,   0.028)  ( 0.03,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 11.189,  -0.001, -20.602)  ( 11.189,   0.000, -20.601)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 49       ( 79.113,  45.542, 280.385)  ( 79.148,  45.561, 280.423)  ( 0.04,  0.04,  0.01)
162:     bond    ( 65.096,  61.024, 269.764)  ( 65.121,  61.035, 269.793)  ( 0.04,  0.02,  0.01)
162:     angle   (  0.172,   0.087,  -0.386)  (  0.180,   0.092,  -0.379)  ( 0.15,  0.05,  0.28)
162:     torsion (  0.077,  -0.134,  -0.078)  (  0.078,  -0.131,  -0.077)  ( 0.01,  0.04,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.768, -15.435,  11.087)  ( 13.769, -15.435,  11.087)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 50       (-175.256, 201.756, -127.758)  (-175.217, 201.780, -127.730)  ( 0.02,  0.01,  0.02)
162:     bond    (-167.895, 204.461, -105.528)  (-167.867, 204.477, -105.508)  ( 0.02,  0.01,  0.02)
162:     angle   ( -0.434,  -0.092,  -0.037)  ( -0.425,  -0.086,  -0.030)  ( 0.38,  0.05,  0.03)
162:     torsion ( -0.062,   0.081,   0.072)  ( -0.061,   0.083,   0.074)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.865,  -2.694, -22.266)  ( -6.864,  -2.694, -22.266)  ( 0.01,  0.01,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 51       (-45.579, -280.461, -79.182)  (-45.561, -280.423, -79.148)  ( 0.04,  0.01,  0.04)
162:     bond    (-61.045, -269.822, -65.145)  (-61.035, -269.793, -65.121)  ( 0.02,  0.01,  0.04)
162:     angle   ( -0.097,   0.372,  -0.189)  ( -0.092,   0.379,  -0.180)  ( 0.05,  0.27,  0.16)
162:     torsion (  0.128,   0.076,  -0.079)  (  0.131,   0.077,  -0.078)  ( 0.04,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 15.435, -11.087, -13.769)  ( 15.435, -11.087, -13.769)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 52       (127.701, -175.256, 201.756)  (127.730, -175.217, 201.780)  ( 0.02,  0.02,  0.01)
162:     bond    (105.488, -167.895, 204.461)  (105.508, -167.867, 204.477)  ( 0.02,  0.02,  0.01)
162:     angle   (  0.023,  -0.434,  -0.092)  (  0.030,  -0.425,  -0.086)  ( 0.02,  0.38,  0.05)
162:     torsion ( -0.075,  -0.062,   0.081)  ( -0.074,  -0.061,   0.083)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 22.265,  -6.865,  -2.694)  ( 22.266,  -6.864,  -2.694)  ( 0.00,  0.01,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 53       (280.385,  79.113,  45.542)  (280.423,  79.148,  45.561)  ( 0.01,  0.04,  0.04)
162:     bond    (269.764,  65.096,  61.024)  (269.793,  65.121,  61.035)  ( 0.01,  0.04,  0.02)
162:     angle   ( -0.386,   0.172,   0.087)  ( -0.379,   0.180,   0.092)  ( 0.28,  0.15,  0.05)
162:     torsion ( -0.078,   0.077,  -0.134)  ( -0.077,   0.078,  -0.131)  ( 0.01,  0.01,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 11.087,  13.768, -15.435)  ( 11.087,  13.769, -15.435)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 54       ( -0.039, 251.973, 153.584)  (  0.000, 252.014, 153.597)  ( 0.15,  0.02,  0.01)
162:     bond    ( -0.027, 231.339, 164.441)  (  0.000, 231.370, 164.446)  ( 0.07,  0.01,  0.00)
162:     angle   ( -0.010,   0.062,   0.245)  (  0.000,   0.070,   0.248)  ( 0.01,  0.05,  0.08)
162:     torsion ( -0.001,  -0.029,   0.087)  (  0.000,  -0.028,   0.091)  ( 0.00,  0.00,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.001,  20.601, -11.189)  ( -0.000,  20.601, -11.189)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 55       (127.701, 175.179, 201.756)  (127.730, 175.217, 201.780)  ( 0.02,  0.02,  0.01)
162:     bond    (105.488, 167.839, 204.461)  (105.508, 167.867, 204.477)  ( 0.02,  0.02,  0.01)
162:     angle   (  0.023,   0.417,  -0.092)  (  0.030,   0.425,  -0.086)  ( 0.02,  0.36,  0.05)
162:     torsion ( -0.075,   0.059,   0.081)  ( -0.074,   0.061,   0.083)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 22.265,   6.864,  -2.694)  ( 22.266,   6.864,  -2.694)  ( 0.00,  0.01,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 56       (-127.758, 175.179, 201.756)  (-127.730, 175.217, 201.780)  ( 0.02,  0.02,  0.01)
162:     bond    (-105.528, 167.839, 204.461)  (-105.508, 167.867, 204.477)  ( 0.02,  0.02,  0.01)
162:     angle   ( -0.037,   0.417,  -0.092)  ( -0.030,   0.425,  -0.086)  ( 0.03,  0.36,  0.05)
162:     torsion (  0.072,   0.059,   0.081)  (  0.074,   0.061,   0.083)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-22.266,   6.864,  -2.694)  (-22.266,   6.864,  -2.694)  ( 0.00,  0.01,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 57       (175.179, 201.756, -127.758)  (175.217, 201.780, -127.730)  ( 0.02,  0.01,  0.02)
162:     bond    (167.839, 204.461, -105.528)  (167.867, 204.477, -105.508)  ( 0.02,  0.01,  0.02)
162:     angle   (  0.417,  -0.092,  -0.037)  (  0.425,  -0.086,  -0.030)  ( 0.36,  0.05,  0.03)
162:     torsion (  0.059,   0.081,   0.072)  (  0.061,   0.083,   0.074)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.864,  -2.694, -22.266)  (  6.864,  -2.694, -22.266)  ( 0.01,  0.01,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 58       (-280.461, -79.182,  45.542)  (-280.423, -79.148,  45.561)  ( 0.01,  0.04,  0.04)
162:     bond    (-269.822, -65.145,  61.024)  (-269.793, -65.121,  61.035)  ( 0.01,  0.04,  0.02)
162:     angle   (  0.372,  -0.189,   0.087)  (  0.379,  -0.180,   0.092)  ( 0.27,  0.16,  0.05)
162:     torsion (  0.076,  -0.079,  -0.134)  (  0.077,  -0.078,  -0.131)  ( 0.01,  0.01,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-11.087, -13.769, -15.435)  (-11.087, -13.769, -15.435)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 59       (280.385, -79.182,  45.542)  (280.423, -79.148,  45.561)  ( 0.01,  0.04,  0.04)
162:     bond    (269.764, -65.145,  61.024)  (269.793, -65.121,  61.035)  ( 0.01,  0.04,  0.02)
162:     angle   ( -0.386,  -0.189,   0.087)  ( -0.379,  -0.180,   0.092)  ( 0.28,  0.16,  0.05)
162:     torsion ( -0.078,  -0.079,  -0.134)  ( -0.077,  -0.078,  -0.131)  ( 0.01,  0.01,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 11.087, -13.769, -15.435)  ( 11.087, -13.769, -15.435)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 60       ( -0.039, -252.054, 153.584)  ( -0.000, -252.014, 153.597)  ( 0.15,  0.02,  0.01)
162:     bond    ( -0.027, -231.402, 164.441)  (  0.000, -231.370, 164.446)  ( 0.07,  0.01,  0.00)
162:     angle   ( -0.010,  -0.078,   0.245)  (  0.000,  -0.070,   0.248)  ( 0.01,  0.06,  0.08)
162:     torsion ( -0.001,   0.027,   0.087)  ( -0.000,   0.028,   0.091)  ( 0.00,  0.00,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.001, -20.602, -11.189)  (  0.000, -20.601, -11.189)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: ok 18 # gradients 
162: ok 19 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (128.296, -35.573,  -1.888)  (128.330, -35.535,  -1.883)  ( 0.03,  0.11,  0.29)
162:     bond    (218.773, -102.594,   0.838)  (218.799, -102.565,   0.837)  ( 0.01,  0.03,  0.06)
162:     angle   (-68.683, 105.729,   0.647)  (-68.676, 105.737,   0.647)  ( 0.01,  0.01,  0.02)
162:     torsion (  0.038,   0.040,  -3.549)  (  0.038,   0.040,  -3.543)  ( 0.00,  0.00,  0.17)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-20.813, -37.299,   0.127)  (-20.813, -37.298,   0.126)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.019,  -1.448,   0.050)  ( -1.019,  -1.448,   0.050)  ( 0.00,  0.00,  0.00)
162:  2       (281.068, -1188.291, -17.634)  (281.102, -1188.250, -17.626)  ( 0.01,  0.00,  0.04)
162:     bond    (199.175, -1090.331, -15.615)  (199.206, -1090.299, -15.611)  ( 0.02,  0.00,  0.02)
162:     angle   ( 69.460, -67.272,   0.308)  ( 69.464, -67.264,   0.307)  ( 0.00,  0.01,  0.01)
162:     torsion ( -0.023,   0.021,  -1.836)  ( -0.023,   0.021,  -1.832)  ( 0.00,  0.00,  0.22)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 15.333, -37.494,  -0.530)  ( 15.333, -37.493,  -0.530)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.877,   6.785,   0.040)  ( -2.877,   6.785,   0.040)  ( 0.00,  0.00,  0.00)
162:  3       (-95.225,  97.149,   0.483)  (-95.191,  97.186,   0.488)  ( 0.04,  0.04,  0.23)
162:     bond    ( 63.762, 122.448,  -0.384)  ( 63.785, 122.476,  -0.384)  ( 0.04,  0.02,  0.01)
162:     angle   (-186.520, -27.262,   1.747)  (-186.510, -27.252,   1.749)  ( 0.01,  0.03,  0.10)
162:     torsion (  0.007,  -0.009,  -0.836)  (  0.007,  -0.009,  -0.832)  ( 0.00,  0.00,  0.27)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 29.633,   0.508,  -0.018)  ( 29.634,   0.508,  -0.018)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.107,   1.463,  -0.026)  ( -2.107,   1.463,  -0.026)  ( 0.00,  0.00,  0.00)
162:  4       ( 94.737, 157.424,  -0.489)  ( 94.780, 157.473,  -0.485)  ( 0.05,  0.03,  0.19)
162:     bond    (-46.361, -63.712,   0.736)  (-46.328, -63.677,   0.736)  ( 0.07,  0.06,  0.01)
162:     angle   (123.050, 192.290,  -1.188)  (123.061, 192.303,  -1.188)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.003,  -0.009,   1.181)  ( -0.003,  -0.009,   1.185)  ( 0.00,  0.00,  0.33)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 22.661,  34.033,  -1.182)  ( 22.662,  34.034,  -1.182)  ( 0.00,  0.00,  0.01)
162:     electro ( -4.612,  -5.178,  -0.035)  ( -4.612,  -5.178,  -0.035)  ( 0.00,  0.00,  0.00)
162:  5       ( 50.085,  46.745,  -5.713)  ( 50.097,  46.767,  -5.713)  ( 0.02,  0.05,  0.01)
162:     bond    ( 19.816,  34.187,  -0.459)  ( 19.823,  34.207,  -0.459)  ( 0.03,  0.06,  0.01)
162:     angle   ( -3.956,   2.291,   0.156)  ( -3.952,   2.292,   0.156)  ( 0.08,  0.05,  0.00)
162:     torsion (  0.006,   0.008,   0.847)  (  0.006,   0.008,   0.847)  ( 0.00,  0.00,  0.06)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 36.360,  13.815,  -6.604)  ( 36.362,  13.816,  -6.604)  ( 0.01,  0.01,  0.00)
162:     electro ( -2.141,  -3.556,   0.346)  ( -2.141,  -3.556,   0.346)  ( 0.00,  0.00,  0.00)
162:  6       ( 41.005, -127.450,  -1.432)  ( 41.044, -127.413,  -1.426)  ( 0.10,  0.03,  0.42)
162:     bond    ( 11.187,  -3.409,  -0.560)  ( 11.216,  -3.383,  -0.559)  ( 0.26,  0.74,  0.02)
162:     angle   ( 48.460, -158.897,   1.836)  ( 48.470, -158.886,   1.838)  ( 0.02,  0.01,  0.12)
162:     torsion ( -0.002,  -0.007,  -2.722)  ( -0.002,  -0.007,  -2.718)  ( 0.00,  0.00,  0.13)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-21.313,  35.607,   0.035)  (-21.313,  35.608,   0.035)  ( 0.00,  0.00,  0.00)
162:     electro (  2.674,  -0.745,  -0.021)  (  2.674,  -0.745,  -0.021)  ( 0.00,  0.00,  0.00)
162:  7       (-172.336, 176.366,   1.808)  (-172.289, 176.402,   1.812)  ( 0.03,  0.02,  0.22)
162:     bond    (-39.092, 208.455,   0.645)  (-39.056, 208.480,   0.644)  ( 0.09,  0.01,  0.05)
162:     angle   (-117.591, -37.558,  -0.021)  (-117.580, -37.549,  -0.021)  ( 0.01,  0.03,  0.00)
162:     torsion ( -0.015,  -0.016,   1.697)  ( -0.015,  -0.016,   1.702)  ( 0.00,  0.00,  0.27)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-26.856,   1.037,  -0.590)  (-26.855,   1.037,  -0.590)  ( 0.00,  0.02,  0.00)
162:     electro ( 11.217,   4.449,   0.077)  ( 11.217,   4.449,   0.078)  ( 0.00,  0.00,  0.00)
162:  8       (-71.877,  25.255,  -1.766)  (-71.850,  25.261,  -1.766)  ( 0.04,  0.02,  0.04)
162:     bond    (-48.136,   0.639,  -0.319)  (-48.109,   0.639,  -0.319)  ( 0.06,  0.01,  0.01)
162:     angle   (  0.447,  33.751,   0.218)  (  0.447,  33.755,   0.219)  ( 0.00,  0.01,  0.00)
162:     torsion ( -0.002,   0.001,   0.249)  ( -0.002,   0.001,   0.250)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-18.882, -13.305,  -1.995)  (-18.882, -13.304,  -1.995)  ( 0.00,  0.01,  0.00)
162:     electro ( -5.304,   4.169,   0.081)  ( -5.304,   4.169,   0.081)  ( 0.00,  0.00,  0.00)
162:  9       (107.964,  16.302,   0.120)  (107.998,  16.335,   0.125)  ( 0.03,  0.21,  0.06)
162:     bond    (-114.432, -52.818,  -1.214)  (-114.405, -52.794,  -1.215)  ( 0.02,  0.05,  0.03)
162:     angle   (213.876,  81.450,   1.116)  (213.883,  81.460,   1.118)  ( 0.00,  0.01,  0.23)
162:     torsion ( -0.007,   0.012,   0.300)  ( -0.007,   0.012,   0.303)  ( 0.00,  0.00,  0.09)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.635,  -6.803,  -0.038)  (  4.635,  -6.803,  -0.038)  ( 0.00,  0.00,  0.00)
162:     electro (  3.892,  -5.540,  -0.044)  (  3.892,  -5.540,  -0.044)  ( 0.00,  0.00,  0.00)
162: 10       (-1232.123, 378.660,   7.823)  (-1232.101, 378.688,   7.832)  ( 0.00,  0.01,  0.11)
162:     bond    (-1219.073, 393.320,   6.949)  (-1219.052, 393.348,   6.957)  ( 0.00,  0.01,  0.11)
162:     angle   (  0.014,   0.007,  -0.000)  (  0.014,   0.007,  -0.000)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.013,  -0.025,   1.906)  (  0.013,  -0.025,   1.907)  ( 0.00,  0.00,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-15.447, -14.655,  -1.091)  (-15.447, -14.655,  -1.091)  ( 0.00,  0.00,  0.00)
162:     electro (  2.370,   0.013,   0.059)  (  2.370,   0.013,   0.059)  ( 0.00,  0.00,  0.00)
162: 11       (868.110, 416.293,   5.883)  (868.142, 416.327,   5.888)  ( 0.00,  0.01,  0.09)
162:     bond    (931.068, 534.771,   7.333)  (931.096, 534.801,   7.337)  ( 0.00,  0.01,  0.05)
162:     angle   (-66.254, -120.686,  -1.778)  (-66.250, -120.682,  -1.778)  ( 0.01,  0.00,  0.01)
162:     torsion ( -0.003,  -0.008,   0.240)  ( -0.003,  -0.008,   0.242)  ( 0.00,  0.00,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.363,   1.247,   0.074)  (  3.363,   1.247,   0.074)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.064,   0.969,   0.013)  ( -0.064,   0.969,   0.013)  ( 0.00,  0.00,  0.00)
162: 12       ( 38.119,  -4.461,   4.327)  ( 38.147,  -4.433,   4.353)  ( 0.07,  0.64,  0.60)
162:     bond    ( 43.122,  15.663,   2.939)  ( 43.141,  15.682,   2.958)  ( 0.04,  0.12,  0.64)
162:     angle   ( -3.080,  -2.207,   0.710)  ( -3.071,  -2.198,   0.717)  ( 0.27,  0.41,  0.47)
162:     torsion ( -0.010,  -0.019,   0.925)  ( -0.010,  -0.019,   0.926)  ( 0.00,  0.00,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.869, -18.372,  -0.253)  ( -1.869, -18.372,  -0.253)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.044,   0.475,   0.006)  ( -0.044,   0.475,   0.006)  ( 0.00,  0.00,  0.00)
162: 13       ( -3.814, -21.443,  -0.726)  ( -3.787, -21.414,  -0.700)  ( 0.71,  0.13,  1.87)
162:     bond    (-37.132,  -0.822,  -0.015)  (-37.114,  -0.803,   0.004)  ( 0.05,  1.54,  0.03)
162:     angle   (  8.038,  -2.248,  -1.177)  (  8.046,  -2.239,  -1.170)  ( 0.10,  0.41,  0.57)
162:     torsion (  0.005,   0.002,   0.437)  (  0.005,   0.002,   0.438)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 25.611, -18.535,   0.028)  ( 25.611, -18.535,   0.028)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.336,   0.160,   0.000)  ( -0.336,   0.160,   0.000)  ( 0.00,  0.00,  0.00)
162: 14       ( -5.268,   4.089,  -1.753)  ( -5.240,   4.116,  -1.727)  ( 0.55,  0.68,  1.47)
162:     bond    ( 18.838, -35.431,  -0.855)  ( 18.857, -35.412,  -0.837)  ( 0.10,  0.05,  1.61)
162:     angle   ( -2.977,   9.335,  -1.958)  ( -2.968,   9.344,  -1.951)  ( 0.30,  0.09,  0.34)
162:     torsion ( -0.005,   0.011,   1.087)  ( -0.005,   0.011,   1.088)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-21.392,  30.685,  -0.028)  (-21.391,  30.686,  -0.028)  ( 0.01,  0.00,  0.00)
162:     electro (  0.268,  -0.512,   0.001)  (  0.268,  -0.512,   0.001)  ( 0.00,  0.00,  0.00)
162: 15       (-13.220,  31.091,   0.684)  (-13.218,  31.106,   0.684)  ( 0.01,  0.05,  0.03)
162:     bond    ( -0.154,  33.589,   0.740)  ( -0.154,  33.604,   0.740)  ( 0.00,  0.04,  0.01)
162:     angle   (-15.890,  -0.071,  -0.069)  (-15.888,  -0.071,  -0.069)  ( 0.01,  0.00,  0.00)
162:     torsion ( -0.000,  -0.001,   0.039)  ( -0.000,  -0.001,   0.039)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.026,  -0.316,   0.002)  (  1.026,  -0.316,   0.002)  ( 0.00,  0.00,  0.00)
162:     electro (  1.799,  -2.110,  -0.028)  (  1.799,  -2.110,  -0.028)  ( 0.00,  0.00,  0.00)
162: 16       ( -1.881,  -8.801,  -0.757)  ( -1.878,  -8.787,  -0.755)  ( 0.13,  0.16,  0.15)
162:     bond    ( -0.134,  -8.107,  -0.342)  ( -0.134,  -8.093,  -0.342)  ( 0.00,  0.17,  0.00)
162:     angle   (  2.859,  -0.034,  -0.321)  (  2.862,  -0.034,  -0.319)  ( 0.09,  0.00,  0.07)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.279,  -0.650,  -0.070)  ( -3.279,  -0.650,  -0.070)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.328,  -0.010,  -0.024)  ( -1.328,  -0.010,  -0.024)  ( 0.00,  0.00,  0.00)
162: 17       ( -4.370,   0.985,   5.557)  ( -4.365,   0.988,   5.567)  ( 0.11,  0.32,  0.19)
162:     bond    ( -2.662,   1.728,   4.686)  ( -2.659,   1.730,   4.695)  ( 0.12,  0.07,  0.21)
162:     angle   (  0.322,   0.016,   0.176)  (  0.323,   0.018,   0.177)  ( 0.06,  0.00,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.867,  -1.505,   0.633)  ( -0.867,  -1.504,   0.633)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.161,   0.746,   0.063)  ( -1.161,   0.746,   0.063)  ( 0.00,  0.00,  0.00)
162: 18       ( -5.504,   1.672,  -8.084)  ( -5.499,   1.676,  -8.074)  ( 0.09,  0.23,  0.12)
162:     bond    ( -3.864,   3.113,  -6.665)  ( -3.861,   3.115,  -6.656)  ( 0.08,  0.06,  0.14)
162:     angle   (  0.665,  -0.087,  -0.428)  (  0.667,  -0.086,  -0.427)  ( 0.13,  0.02,  0.03)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.126,  -2.162,  -0.950)  ( -1.126,  -2.162,  -0.950)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.179,   0.809,  -0.041)  ( -1.179,   0.809,  -0.041)  ( 0.00,  0.00,  0.00)
162: 19       (  2.471,   2.206,  -8.584)  (  2.474,   2.208,  -8.571)  ( 0.15,  0.13,  0.14)
162:     bond    (  2.793,   2.223,  -8.000)  (  2.794,   2.224,  -7.988)  ( 0.05,  0.04,  0.15)
162:     angle   ( -1.138,   0.137,  -0.359)  ( -1.136,   0.139,  -0.359)  ( 0.19,  0.03,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.125,  -0.749,  -0.532)  (  1.125,  -0.748,  -0.532)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.309,   0.594,   0.307)  ( -0.309,   0.594,   0.307)  ( 0.00,  0.00,  0.00)
162: 20       ( 11.893,  -3.594,   3.602)  ( 11.897,  -3.582,   3.605)  ( 0.04,  0.34,  0.07)
162:     bond    (  3.073,  -7.944,   2.047)  (  3.075,  -7.932,   2.047)  ( 0.06,  0.15,  0.04)
162:     angle   ( -4.627,  -1.768,   0.098)  ( -4.625,  -1.767,   0.100)  ( 0.05,  0.02,  0.02)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.975,   6.517,   1.574)  ( 13.975,   6.517,   1.574)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.528,  -0.400,  -0.116)  ( -0.528,  -0.400,  -0.116)  ( 0.00,  0.00,  0.00)
162: 21       (  8.288,   3.291,   8.967)  (  8.291,   3.298,   8.975)  ( 0.05,  0.23,  0.08)
162:     bond    (  3.137,   6.237,   6.237)  (  3.139,   6.244,   6.244)  ( 0.05,  0.10,  0.10)
162:     angle   ( -2.271,   0.849,   0.289)  ( -2.268,   0.850,   0.291)  ( 0.10,  0.10,  0.03)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  8.099,  -4.775,   2.825)  (  8.099,  -4.775,   2.825)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.678,   0.980,  -0.385)  ( -0.678,   0.980,  -0.385)  ( 0.00,  0.00,  0.00)
162: 22       ( -7.209,   8.539,   9.096)  ( -7.199,   8.542,   9.103)  ( 0.13,  0.03,  0.07)
162:     bond    ( -7.592,  -0.446,   5.750)  ( -7.583,  -0.446,   5.755)  ( 0.12,  0.00,  0.09)
162:     angle   (  0.316,  -3.141,   0.173)  (  0.317,  -3.139,   0.174)  ( 0.02,  0.08,  0.02)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.310,  13.218,   3.611)  (  0.310,  13.218,   3.611)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.243,  -1.091,  -0.438)  ( -0.243,  -1.091,  -0.438)  ( 0.00,  0.00,  0.00)
162: 23       (-17.717,  21.345,   8.253)  (-17.709,  21.354,   8.256)  ( 0.04,  0.04,  0.04)
162:     bond    (  6.018,   7.206,   3.106)  (  6.023,   7.213,   3.107)  ( 0.09,  0.10,  0.04)
162:     angle   (  4.963,  -4.166,   0.043)  (  4.965,  -4.165,   0.045)  ( 0.03,  0.03,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-30.269,  18.907,   5.408)  (-30.268,  18.907,   5.408)  ( 0.00,  0.00,  0.00)
162:     electro (  1.571,  -0.601,  -0.303)  (  1.571,  -0.601,  -0.303)  ( 0.00,  0.00,  0.00)
162: 24       ( -1.980,   1.683,  -7.974)  ( -1.977,   1.686,  -7.961)  ( 0.16,  0.17,  0.16)
162:     bond    ( -2.499,   1.642,  -7.703)  ( -2.498,   1.643,  -7.690)  ( 0.05,  0.03,  0.16)
162:     angle   (  0.405,  -0.575,  -0.255)  (  0.407,  -0.573,  -0.255)  ( 0.08,  0.13,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.024,   1.037,  -0.436)  ( -0.024,   1.037,  -0.436)  ( 0.00,  0.00,  0.00)
162:     electro (  0.138,  -0.421,   0.420)  (  0.138,  -0.421,   0.420)  ( 0.00,  0.00,  0.00)
162: ok 20 # gradients 
162: ok 21 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (-22.308, -43.542, -24.843)  (-22.281, -43.516, -24.816)  ( 0.12,  0.06,  0.11)
162:     bond    (-14.531, -30.893,  -8.732)  (-14.514, -30.876,  -8.714)  ( 0.12,  0.06,  0.21)
162:     angle   (  2.512,  -2.285, -10.607)  (  2.522,  -2.276, -10.598)  ( 0.37,  0.38,  0.08)
162:     torsion ( -2.655,  -2.742,  -4.981)  ( -2.654,  -2.742,  -4.981)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -7.525,  -7.528,  -0.566)  ( -7.525,  -7.528,  -0.566)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.109,  -0.093,   0.043)  ( -0.109,  -0.093,   0.043)  ( 0.00,  0.00,  0.00)
162:  2       (-63.836,  37.192,   9.403)  (-63.808,  37.218,   9.429)  ( 0.04,  0.07,  0.28)
162:     bond    (-19.887,  31.641,  -3.832)  (-19.869,  31.659,  -3.814)  ( 0.09,  0.06,  0.46)
162:     angle   (-21.218,   1.942,  26.416)  (-21.210,   1.950,  26.425)  ( 0.04,  0.44,  0.03)
162:     torsion ( -4.470,   2.457,   2.254)  ( -4.470,   2.457,   2.255)  ( 0.00,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-17.943,   1.510, -15.520)  (-17.943,   1.511, -15.520)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.317,  -0.358,   0.084)  ( -0.317,  -0.358,   0.084)  ( 0.00,  0.00,  0.00)
162:  3       ( 24.879,  35.511, -41.054)  ( 24.906,  35.538, -41.027)  ( 0.11,  0.08,  0.07)
162:     bond    ( 43.021,  -1.284,  21.164)  ( 43.039,  -1.266,  21.182)  ( 0.04,  1.41,  0.09)
162:     angle   ( -8.872,  26.134, -47.437)  ( -8.864,  26.143, -47.429)  ( 0.10,  0.03,  0.02)
162:     torsion ( -0.191,   2.872,  -3.368)  ( -0.191,   2.872,  -3.368)  ( 0.00,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -9.262,   7.953, -11.544)  ( -9.262,   7.953, -11.543)  ( 0.00,  0.01,  0.00)
162:     electro (  0.184,  -0.164,   0.131)  (  0.184,  -0.164,   0.131)  ( 0.00,  0.00,  0.00)
162:  4       (  2.828, -39.628,  46.776)  (  2.857, -39.600,  46.801)  ( 1.00,  0.07,  0.06)
162:     bond    ( 33.477,  -2.989,  17.076)  ( 33.496,  -2.970,  17.094)  ( 0.06,  0.61,  0.11)
162:     angle   (-26.689, -10.403,  39.611)  (-26.679, -10.394,  39.618)  ( 0.03,  0.09,  0.02)
162:     torsion ( -0.440,  -5.890, -14.995)  ( -0.440,  -5.890, -14.994)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.482, -20.368,   5.117)  ( -3.482, -20.368,   5.117)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.038,   0.022,  -0.034)  ( -0.038,   0.022,  -0.034)  ( 0.00,  0.00,  0.00)
162:  5       ( 73.049,   5.536, -12.631)  ( 73.088,   5.567, -12.622)  ( 0.05,  0.57,  0.07)
162:     bond    ( 36.993,  27.428,  -1.146)  ( 37.023,  27.450,  -1.144)  ( 0.08,  0.08,  0.13)
162:     angle   ( 33.662,  -7.390, -34.834)  ( 33.670,  -7.382, -34.831)  ( 0.02,  0.12,  0.01)
162:     torsion (  1.264,   4.163,  20.949)  (  1.264,   4.163,  20.953)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.115, -19.347,   2.757)  (  1.116, -19.347,   2.757)  ( 0.05,  0.00,  0.00)
162:     electro (  0.015,   0.682,  -0.357)  (  0.015,   0.682,  -0.357)  ( 0.00,  0.00,  0.00)
162:  6       (-77.127,  -1.074,   3.759)  (-77.090,  -1.042,   3.766)  ( 0.05,  2.99,  0.21)
162:     bond    (-78.710,  18.207,  -6.480)  (-78.680,  18.229,  -6.479)  ( 0.04,  0.12,  0.02)
162:     angle   ( -4.204,   3.671,   5.342)  ( -4.197,   3.680,   5.343)  ( 0.17,  0.25,  0.03)
162:     torsion ( -0.397,  -2.218,  -2.463)  ( -0.397,  -2.218,  -2.458)  ( 0.00,  0.01,  0.20)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.356, -21.178,   7.702)  (  6.356, -21.178,   7.702)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.173,   0.445,  -0.341)  ( -0.173,   0.445,  -0.341)  ( 0.00,  0.00,  0.00)
162:  7       ( 49.490, -26.176,  -7.776)  ( 49.518, -26.148,  -7.751)  ( 0.06,  0.11,  0.33)
162:     bond    ( 18.673,  16.713,   0.892)  ( 18.691,  16.732,   0.910)  ( 0.10,  0.11,  1.63)
162:     angle   ( 26.683, -27.526,  -4.329)  ( 26.692, -27.516,  -4.322)  ( 0.03,  0.03,  0.15)
162:     torsion (  0.886,  -2.319, -10.236)  (  0.886,  -2.319, -10.235)  ( 0.01,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.288, -13.122,   6.005)  (  3.289, -13.121,   6.005)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.039,   0.078,  -0.109)  ( -0.039,   0.078,  -0.109)  ( 0.00,  0.00,  0.00)
162:  8       (-35.192,  12.822,  53.744)  (-35.165,  12.849,  53.771)  ( 0.08,  0.22,  0.05)
162:     bond    (-20.989,   9.111, -28.842)  (-20.972,   9.128, -28.824)  ( 0.08,  0.19,  0.06)
162:     angle   (-25.736,  17.614,  80.518)  (-25.726,  17.623,  80.527)  ( 0.04,  0.05,  0.01)
162:     torsion ( -2.011,  -0.575,   3.948)  ( -2.011,  -0.575,   3.948)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.550, -13.548,  -1.907)  ( 13.551, -13.547,  -1.907)  ( 0.00,  0.00,  0.01)
162:     electro ( -0.006,   0.221,   0.027)  ( -0.006,   0.221,   0.027)  ( 0.00,  0.00,  0.00)
162:  9       (  9.873,  27.136, -47.477)  (  9.901,  27.163, -47.450)  ( 0.29,  0.10,  0.06)
162:     bond    (-30.658,  30.523, -29.944)  (-30.639,  30.540, -29.927)  ( 0.06,  0.06,  0.06)
162:     angle   ( 25.853,   9.550, -23.593)  ( 25.863,   9.560, -23.584)  ( 0.04,  0.10,  0.04)
162:     torsion ( -0.469,  -3.044,  -4.166)  ( -0.469,  -3.044,  -4.166)  ( 0.01,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 15.131, -10.099,  10.271)  ( 15.132, -10.099,  10.271)  ( 0.00,  0.00,  0.00)
162:     electro (  0.016,   0.206,  -0.044)  (  0.016,   0.206,  -0.044)  ( 0.00,  0.00,  0.00)
162: 10       ( 28.019, -40.005,  31.486)  ( 28.044, -39.978,  31.512)  ( 0.09,  0.07,  0.09)
162:     bond    ( 34.324,  10.400,  10.514)  ( 34.340,  10.419,  10.532)  ( 0.05,  0.18,  0.18)
162:     angle   (-23.006, -37.357,  30.359)  (-22.997, -37.349,  30.367)  ( 0.04,  0.02,  0.03)
162:     torsion (  0.490,  -3.580,  -3.486)  (  0.490,  -3.580,  -3.486)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 16.479,  -9.577,  -5.866)  ( 16.479,  -9.577,  -5.866)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.268,   0.108,  -0.035)  ( -0.268,   0.108,  -0.035)  ( 0.00,  0.00,  0.00)
162: 11       ( 42.944,  -3.551,   3.573)  ( 42.971,  -3.526,   3.600)  ( 0.06,  0.72,  0.75)
162:     bond    (-22.879,  -5.120, -14.558)  (-22.860,  -5.103, -14.539)  ( 0.08,  0.33,  0.13)
162:     angle   ( 61.432,  15.137,  19.736)  ( 61.441,  15.145,  19.744)  ( 0.01,  0.06,  0.04)
162:     torsion ( -0.381,   1.027,   1.544)  ( -0.381,   1.027,   1.544)  ( 0.00,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.982, -14.918,  -3.077)  (  4.982, -14.917,  -3.077)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.210,   0.322,  -0.072)  ( -0.210,   0.322,  -0.072)  ( 0.00,  0.00,  0.00)
162: 12       (-30.929,  -4.215, -23.764)  (-30.903,  -4.185, -23.738)  ( 0.09,  0.70,  0.11)
162:     bond    (-66.490,  82.822,  23.511)  (-66.473,  82.841,  23.529)  ( 0.03,  0.02,  0.08)
162:     angle   ( 28.483, -89.468, -54.042)  ( 28.492, -89.458, -54.035)  ( 0.03,  0.01,  0.01)
162:     torsion (  1.674,   3.980,   1.439)  (  1.674,   3.980,   1.439)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.582,  -1.625,   5.322)  (  5.582,  -1.625,   5.322)  ( 0.00,  0.01,  0.00)
162:     electro ( -0.178,   0.077,   0.006)  ( -0.178,   0.077,   0.006)  ( 0.00,  0.00,  0.00)
162: 13       (-14.876,  12.813,  29.139)  (-14.849,  12.841,  29.164)  ( 0.19,  0.21,  0.09)
162:     bond    ( 64.127, -112.790,  27.092)  ( 64.145, -112.772,  27.110)  ( 0.03,  0.02,  0.07)
162:     angle   (-82.099, 120.864,   8.835)  (-82.090, 120.873,   8.842)  ( 0.01,  0.01,  0.08)
162:     torsion ( -0.625,   3.574,  -2.102)  ( -0.625,   3.574,  -2.101)  ( 0.01,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.773,   1.285,  -4.822)  (  3.773,   1.285,  -4.822)  ( 0.00,  0.01,  0.00)
162:     electro ( -0.051,  -0.120,   0.136)  ( -0.051,  -0.120,   0.136)  ( 0.00,  0.00,  0.00)
162: 14       (  2.250, -33.695,   6.772)  (  2.278, -33.668,   6.798)  ( 1.21,  0.08,  0.39)
162:     bond    (-77.710,  60.285, -35.054)  (-77.692,  60.303, -35.036)  ( 0.02,  0.03,  0.05)
162:     angle   ( 75.670, -103.322,  38.094)  ( 75.679, -103.314,  38.101)  ( 0.01,  0.01,  0.02)
162:     torsion (  1.249,  -0.162,   1.416)  (  1.249,  -0.161,   1.417)  ( 0.01,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.027,   9.584,   2.523)  (  3.027,   9.584,   2.523)  ( 0.00,  0.00,  0.01)
162:     electro (  0.015,  -0.080,  -0.207)  (  0.015,  -0.080,  -0.207)  ( 0.00,  0.00,  0.00)
162: 15       (-39.902,  19.803,  -0.379)  (-39.875,  19.830,  -0.353)  ( 0.07,  0.14,  0.99)
162:     bond    (  3.025, -78.820,  25.958)  (  3.043, -78.802,  25.977)  ( 0.59,  0.02,  0.07)
162:     angle   (-49.068, 110.969, -36.714)  (-49.060, 110.978, -36.707)  ( 0.02,  0.01,  0.02)
162:     torsion ( -1.503,   1.058,  -0.774)  ( -1.503,   1.059,  -0.774)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  7.677, -13.640,  11.362)  (  7.677, -13.639,  11.362)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.032,   0.235,  -0.211)  ( -0.032,   0.235,  -0.211)  ( 0.00,  0.00,  0.00)
162: 16       ( 31.729, -35.552,  15.159)  ( 31.757, -35.525,  15.186)  ( 0.09,  0.07,  0.17)
162:     bond    ( -1.351,  47.387, -25.784)  ( -1.333,  47.405, -25.766)  ( 1.36,  0.04,  0.07)
162:     angle   ( 33.555, -81.751,  34.045)  ( 33.564, -81.742,  34.052)  ( 0.03,  0.01,  0.02)
162:     torsion (  1.197,  -0.589,   7.374)  (  1.197,  -0.589,   7.374)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.709,  -0.821,  -0.520)  ( -1.709,  -0.821,  -0.520)  ( 0.01,  0.01,  0.00)
162:     electro (  0.038,   0.221,   0.046)  (  0.038,   0.221,   0.046)  ( 0.00,  0.00,  0.00)
162: 17       (  6.118, -32.326, -49.852)  (  6.145, -32.298, -49.826)  ( 0.43,  0.09,  0.05)
162:     bond    (-11.675, -75.819,   2.896)  (-11.658, -75.800,   2.913)  ( 0.14,  0.02,  0.61)
162:     angle   ( 12.832,  40.812, -50.366)  ( 12.841,  40.821, -50.358)  ( 0.07,  0.02,  0.02)
162:     torsion (  1.947,   1.741,  -2.677)  (  1.947,   1.741,  -2.677)  ( 0.01,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.215,   1.061,   0.274)  (  3.216,   1.061,   0.274)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.201,  -0.121,   0.021)  ( -0.201,  -0.121,   0.021)  ( 0.00,  0.00,  0.00)
162: 18       (-33.161,  52.536,  15.536)  (-33.134,  52.563,  15.562)  ( 0.08,  0.05,  0.17)
162:     bond    (  0.939,  25.907,   0.494)  (  0.957,  25.925,   0.513)  ( 1.75,  0.07,  0.92)
162:     angle   (-36.770,  12.993,  13.369)  (-36.762,  13.000,  13.376)  ( 0.02,  0.06,  0.06)
162:     torsion (  2.724,   0.710,   3.961)  (  2.724,   0.711,   3.961)  ( 0.00,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.234,  13.366,  -2.363)  ( -0.233,  13.367,  -2.363)  ( 0.01,  0.00,  0.00)
162:     electro (  0.180,  -0.440,   0.075)  (  0.180,  -0.440,   0.075)  ( 0.00,  0.00,  0.00)
162: 19       ( 37.987,   7.123,  15.649)  ( 38.014,   7.150,  15.676)  ( 0.07,  0.38,  0.17)
162:     bond    ( -0.323,   9.038,   1.714)  ( -0.305,   9.056,   1.733)  ( 0.60,  0.21,  1.08)
162:     angle   ( 26.612,  -1.957,  20.358)  ( 26.620,  -1.949,  20.366)  ( 0.03,  0.41,  0.04)
162:     torsion (  1.649,  -0.902,  -3.804)  (  1.649,  -0.902,  -3.804)  ( 0.00,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 10.597,   0.994,  -2.622)  ( 10.597,   0.994,  -2.622)  ( 0.00,  0.02,  0.00)
162:     electro ( -0.547,  -0.050,   0.004)  ( -0.547,  -0.050,   0.004)  ( 0.00,  0.00,  0.00)
162: 20       (-10.381,  15.215, -40.486)  (-10.354,  15.243, -40.459)  ( 0.26,  0.18,  0.07)
162:     bond    ( 10.285,  -8.664,   4.027)  ( 10.303,  -8.645,   4.045)  ( 0.18,  0.21,  0.45)
162:     angle   (  0.393,  19.206, -30.998)  (  0.400,  19.214, -30.989)  ( 0.30,  0.04,  0.03)
162:     torsion ( -3.530,  -0.913,   0.087)  ( -3.530,  -0.913,   0.087)  ( 0.00,  0.02,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-17.801,   5.682, -13.790)  (-17.800,   5.683, -13.790)  ( 0.00,  0.01,  0.00)
162:     electro (  0.272,  -0.096,   0.188)  (  0.272,  -0.096,   0.188)  ( 0.00,  0.00,  0.00)
162: 21       ( 50.906, -23.098, -16.714)  ( 50.934, -23.072, -16.686)  ( 0.06,  0.11,  0.17)
162:     bond    (114.995,  -1.709, -14.139)  (115.014,  -1.693, -14.122)  ( 0.02,  0.96,  0.12)
162:     angle   (-67.309, -23.081,  -4.995)  (-67.299, -23.072,  -4.984)  ( 0.01,  0.04,  0.20)
162:     torsion ( -2.620,  -2.152,   2.914)  ( -2.620,  -2.152,   2.915)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.715,   3.885,  -0.499)  (  5.715,   3.886,  -0.499)  ( 0.00,  0.00,  0.00)
162:     electro (  0.125,  -0.041,   0.005)  (  0.125,  -0.041,   0.005)  ( 0.00,  0.00,  0.00)
162: 22       (-16.148,  23.784,  55.343)  (-16.122,  23.811,  55.371)  ( 0.17,  0.11,  0.05)
162:     bond    (  5.914, -13.650, -25.328)  (  5.932, -13.632, -25.309)  ( 0.31,  0.13,  0.07)
162:     angle   (-16.459,  16.679,  60.398)  (-16.451,  16.687,  60.406)  ( 0.05,  0.05,  0.01)
162:     torsion (  0.827,  -1.949,   1.055)  (  0.827,  -1.949,   1.055)  ( 0.02,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.533,  22.878,  19.525)  ( -6.533,  22.879,  19.525)  ( 0.01,  0.00,  0.00)
162:     electro (  0.103,  -0.174,  -0.307)  (  0.103,  -0.174,  -0.307)  ( 0.00,  0.00,  0.00)
162: 23       (  1.239,  24.267, -60.315)  (  1.266,  24.294, -60.288)  ( 2.16,  0.11,  0.04)
162:     bond    (-32.251, -19.993,   7.102)  (-32.234, -19.975,   7.120)  ( 0.06,  0.09,  0.26)
162:     angle   ( 42.431,  23.788, -56.689)  ( 42.440,  23.797, -56.680)  ( 0.02,  0.04,  0.01)
162:     torsion ( -0.297,   6.929,  -1.857)  ( -0.297,   6.929,  -1.856)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -8.931,  13.671,  -9.129)  ( -8.931,  13.672,  -9.129)  ( 0.00,  0.00,  0.00)
162:     electro (  0.288,  -0.129,   0.257)  (  0.288,  -0.129,   0.257)  ( 0.00,  0.00,  0.00)
162: 24       (-42.391,  41.088,   4.587)  (-42.363,  41.115,   4.614)  ( 0.07,  0.07,  0.57)
162:     bond    ( 38.562, -24.577, -11.848)  ( 38.580, -24.559, -11.830)  ( 0.05,  0.08,  0.15)
162:     angle   (-65.211,  51.416,  37.818)  (-65.202,  51.425,  37.826)  ( 0.01,  0.02,  0.02)
162:     torsion ( -4.487,   2.988,   1.987)  ( -4.486,   2.988,   1.988)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-11.129,  11.373, -23.582)  (-11.129,  11.373, -23.581)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.126,  -0.112,   0.211)  ( -0.126,  -0.112,   0.211)  ( 0.00,  0.00,  0.00)
162: 25       (-28.101, -61.144, -25.772)  (-28.073, -61.115, -25.745)  ( 0.10,  0.05,  0.10)
162:     bond    (-98.484, -40.750,  51.097)  (-98.467, -40.731,  51.115)  ( 0.02,  0.05,  0.04)
162:     angle   ( 73.204, -34.175, -58.194)  ( 73.213, -34.166, -58.186)  ( 0.01,  0.03,  0.01)
162:     torsion (  2.203,  -2.710, -10.758)  (  2.203,  -2.710, -10.758)  ( 0.01,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.869,  16.592,  -7.909)  ( -4.869,  16.592,  -7.909)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.154,  -0.101,  -0.008)  ( -0.154,  -0.101,  -0.008)  ( 0.00,  0.00,  0.00)
162: 26       ( 35.161, -13.615,  -7.818)  ( 35.190, -13.587,  -7.791)  ( 0.08,  0.21,  0.34)
162:     bond    (103.369,   5.170, -50.791)  (103.386,   5.189, -50.773)  ( 0.02,  0.35,  0.04)
162:     angle   (-63.196, -26.589,  42.786)  (-63.185, -26.580,  42.794)  ( 0.02,  0.03,  0.02)
162:     torsion ( -1.603,  -0.711,   1.139)  ( -1.603,  -0.710,   1.140)  ( 0.01,  0.03,  0.08)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.485,   8.521,  -0.920)  ( -3.485,   8.521,  -0.920)  ( 0.01,  0.00,  0.00)
162:     electro (  0.076,  -0.007,  -0.032)  (  0.076,  -0.007,  -0.032)  ( 0.00,  0.00,  0.00)
162: 27       (-14.837,  26.774,  43.062)  (-14.810,  26.801,  43.089)  ( 0.18,  0.10,  0.06)
162:     bond    (  4.117, -17.524, -19.432)  (  4.135, -17.505, -19.413)  ( 0.44,  0.11,  0.10)
162:     angle   (-13.628,  41.763,  43.917)  (-13.620,  41.771,  43.925)  ( 0.06,  0.02,  0.02)
162:     torsion ( -0.358,  -1.930,   0.806)  ( -0.357,  -1.930,   0.806)  ( 0.01,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -5.096,   4.534,  18.317)  ( -5.096,   4.534,  18.318)  ( 0.01,  0.01,  0.00)
163:     vdw     (  2.270,  -2.491,  -2.463)  (  2.271,  -2.491,  -2.463)  ( 0.01,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  9       (-32.727,  72.726, -92.423)  (-32.676,  72.773, -92.377)  ( 0.15,  0.06,  0.05)
163:     bond    (-70.963,  69.134, -38.807)  (-70.925,  69.169, -38.773)  ( 0.05,  0.05,  0.09)
163:     angle   ( 35.155,  12.704, -44.465)  ( 35.166,  12.715, -44.454)  ( 0.03,  0.09,  0.02)
163:     torsion (  1.189,  -6.727, -14.033)  (  1.189,  -6.727, -14.032)  ( 0.04,  0.01,  0.01)
163:     vdw     (  1.893,  -2.384,   4.882)  (  1.893,  -2.384,   4.882)  ( 0.01,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 10       ( 44.464, -48.929,  61.410)  ( 44.508, -48.879,  61.457)  ( 0.10,  0.10,  0.08)
163:     bond    ( 67.926,  38.675,   8.425)  ( 67.960,  38.713,   8.462)  ( 0.05,  0.10,  0.44)
163:     angle   (-27.457, -76.524,  61.567)  (-27.447, -76.512,  61.578)  ( 0.04,  0.02,  0.02)
163:     torsion ( -0.580,  -7.062,  -4.838)  ( -0.580,  -7.062,  -4.838)  ( 0.01,  0.00,  0.00)
163:     vdw     (  4.575,  -4.018,  -3.745)  (  4.575,  -4.018,  -3.744)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       ( 38.280,  17.925,   3.568)  ( 38.330,  17.968,   3.615)  ( 0.13,  0.24,  1.30)
163:     bond    (-69.082, -10.191, -36.229)  (-69.044, -10.157, -36.192)  ( 0.05,  0.33,  0.10)
163:     angle   (107.978,  26.787,  34.426)  (107.991,  26.797,  34.436)  ( 0.01,  0.04,  0.03)
163:     torsion ( -1.672,   4.500,   7.054)  ( -1.673,   4.500,   7.054)  ( 0.01,  0.00,  0.00)
163:     vdw     (  1.056,  -3.172,  -1.683)  (  1.056,  -3.172,  -1.683)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (-98.542,  74.045,   2.083)  (-98.495,  74.097,   2.128)  ( 0.05,  0.07,  2.18)
163:     bond    (-141.621, 186.409,  73.122)  (-141.586, 186.449,  73.158)  ( 0.02,  0.02,  0.05)
163:     angle   ( 34.325, -116.783, -77.784)  ( 34.337, -116.772, -77.775)  ( 0.03,  0.01,  0.01)
163:     torsion (  5.221,   5.365,   2.771)  (  5.221,   5.366,   2.771)  ( 0.00,  0.01,  0.01)
163:     vdw     (  3.533,  -0.946,   3.974)  (  3.533,  -0.946,   3.974)  ( 0.00,  0.02,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 13       ( 36.346, -83.238,  61.357)  ( 36.394, -83.190,  61.402)  ( 0.13,  0.06,  0.07)
163:     bond    (147.059, -249.016,  46.400)  (147.096, -248.980,  46.437)  ( 0.03,  0.01,  0.08)
163:     angle   (-110.087, 158.572,  20.299)  (-110.076, 158.583,  20.307)  ( 0.01,  0.01,  0.04)
163:     torsion ( -0.419,   7.923,  -3.565)  ( -0.419,   7.923,  -3.565)  ( 0.01,  0.01,  0.01)
163:     vdw     ( -0.207,  -0.717,  -1.777)  ( -0.207,  -0.717,  -1.777)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 14       (-48.694, -19.654, -22.015)  (-48.645, -19.604, -21.969)  ( 0.10,  0.25,  0.21)
163:     bond    (-177.197, 144.883, -85.836)  (-177.159, 144.920, -85.800)  ( 0.02,  0.03,  0.04)
163:     angle   (124.575, -165.352,  61.932)  (124.586, -165.340,  61.941)  ( 0.01,  0.01,  0.01)
163:     torsion (  3.993,  -1.169,  -0.328)  (  3.993,  -1.169,  -0.328)  ( 0.01,  0.03,  0.02)
163:     vdw     ( -0.065,   1.984,   2.217)  ( -0.065,   1.985,   2.217)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 15       (-71.792, -15.511,   1.596)  (-71.745, -15.461,   1.641)  ( 0.07,  0.32,  2.85)
163:     bond    ( 20.082, -185.807,  55.479)  ( 20.118, -185.771,  55.516)  ( 0.18,  0.02,  0.07)
163:     angle   (-91.970, 175.343, -54.362)  (-91.959, 175.356, -54.354)  ( 0.01,  0.01,  0.01)
163:     torsion ( -3.370,   1.693,  -3.891)  ( -3.369,   1.694,  -3.891)  ( 0.01,  0.02,  0.02)
163:     vdw     (  3.466,  -6.740,   4.370)  (  3.466,  -6.740,   4.370)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 16       ( 51.385, -21.587,  21.356)  ( 51.434, -21.539,  21.402)  ( 0.10,  0.22,  0.21)
163:     bond    (-19.694, 121.030, -58.118)  (-19.656, 121.065, -58.081)  ( 0.19,  0.03,  0.06)
163:     angle   ( 69.837, -141.903,  61.310)  ( 69.849, -141.891,  61.318)  ( 0.02,  0.01,  0.01)
163:     torsion (  2.559,  -0.466,  18.458)  (  2.560,  -0.466,  18.459)  ( 0.00,  0.02,  0.00)
163:     vdw     ( -1.318,  -0.247,  -0.294)  ( -1.318,  -0.247,  -0.294)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 17       (-10.253, -102.133, -51.010)  (-10.207, -102.084, -50.966)  ( 0.45,  0.05,  0.09)
163:     bond    (-28.447, -159.003,  29.684)  (-28.413, -158.965,  29.719)  ( 0.12,  0.02,  0.12)
163:     angle   ( 12.943,  52.128, -74.991)  ( 12.954,  52.138, -74.982)  ( 0.09,  0.02,  0.01)
163:     torsion (  3.356,   4.210,  -5.951)  (  3.357,   4.210,  -5.951)  ( 0.01,  0.01,  0.01)
163:     vdw     (  1.895,   0.533,   0.247)  (  1.895,   0.533,   0.247)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 18       (-54.928, 102.095,  29.273)  (-54.879, 102.144,  29.321)  ( 0.09,  0.05,  0.16)
163:     bond    ( 11.301,  32.987,  -2.137)  ( 11.337,  33.023,  -2.101)  ( 0.32,  0.11,  1.69)
163:     angle   (-69.740,  63.731,  23.901)  (-69.728,  63.743,  23.912)  ( 0.02,  0.02,  0.05)
163:     torsion (  5.988,   1.482,   9.002)  (  5.988,   1.482,   9.002)  ( 0.00,  0.01,  0.01)
163:     vdw     ( -2.477,   3.896,  -1.492)  ( -2.477,   3.896,  -1.492)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 19       ( 69.073,  20.711,  31.491)  ( 69.123,  20.760,  31.539)  ( 0.07,  0.24,  0.15)
163:     bond    (-21.798,  14.016,  -5.128)  (-21.761,  14.052,  -5.092)  ( 0.17,  0.26,  0.70)
163:     angle   ( 80.219,   8.337,  47.063)  ( 80.232,   8.349,  47.075)  ( 0.02,  0.15,  0.02)
163:     torsion (  3.727,  -2.310,  -8.511)  (  3.727,  -2.310,  -8.511)  ( 0.00,  0.02,  0.00)
163:     vdw     (  6.925,   0.668,  -1.933)  (  6.925,   0.668,  -1.933)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       ( -7.171,  23.454, -62.548)  ( -7.123,  23.503, -62.499)  ( 0.67,  0.21,  0.08)
163:     bond    ( 23.122, -25.258,  29.921)  ( 23.158, -25.222,  29.958)  ( 0.16,  0.14,  0.12)
163:     angle   (-11.516,  45.007, -87.338)  (-11.504,  45.019, -87.325)  ( 0.10,  0.03,  0.01)
163:     torsion ( -9.097,  -1.641,   0.497)  ( -9.097,  -1.640,   0.497)  ( 0.00,  0.02,  0.00)
163:     vdw     ( -9.681,   5.346,  -5.628)  ( -9.680,   5.346,  -5.628)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 21       (144.865, -30.438, -24.155)  (144.917, -30.393, -24.106)  ( 0.04,  0.15,  0.20)
163:     bond    (239.288,   1.092, -29.295)  (239.327,   1.126, -29.259)  ( 0.02,  3.11,  0.12)
163:     angle   (-88.078, -27.976,   1.591)  (-88.067, -27.965,   1.604)  ( 0.01,  0.04,  0.78)
163:     torsion ( -7.170,  -3.843,   5.011)  ( -7.169,  -3.842,   5.012)  ( 0.01,  0.02,  0.01)
163:     vdw     (  0.825,   0.289,  -1.463)  (  0.825,   0.289,  -1.463)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 22       (-20.334,   2.956,  65.639)  (-20.286,   3.004,  65.690)  ( 0.24,  1.64,  0.08)
163:     bond    ( 19.005, -37.785, -74.502)  ( 19.040, -37.749, -74.464)  ( 0.19,  0.10,  0.05)
163:     angle   (-42.069,  41.502, 132.387)  (-42.057,  41.514, 132.400)  ( 0.03,  0.03,  0.01)
163:     torsion (  2.721,  -5.226,   2.966)  (  2.721,  -5.225,   2.966)  ( 0.02,  0.01,  0.00)
163:     vdw     (  0.010,   4.465,   4.787)  (  0.010,   4.465,   4.787)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 23       (-11.747,  14.520, -78.438)  (-11.700,  14.568, -78.390)  ( 0.40,  0.33,  0.06)
163:     bond    (-71.103, -56.281,  36.238)  (-71.066, -56.245,  36.274)  ( 0.05,  0.06,  0.10)
163:     angle   ( 64.964,  52.726, -106.755)  ( 64.974,  52.736, -106.743)  ( 0.02,  0.02,  0.01)
163:     torsion ( -1.038,  13.634,  -5.367)  ( -1.037,  13.635,  -5.367)  ( 0.03,  0.01,  0.01)
163:     vdw     ( -4.571,   4.440,  -2.554)  ( -4.571,   4.441,  -2.554)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 24       (-32.475,  31.345,  32.192)  (-32.426,  31.394,  32.237)  ( 0.15,  0.16,  0.14)
163:     bond    (102.715, -66.398, -21.758)  (102.751, -66.360, -21.722)  ( 0.03,  0.06,  0.16)
163:     angle   (-123.808,  88.959,  53.785)  (-123.795,  88.970,  53.794)  ( 0.01,  0.01,  0.02)
163:     torsion (-10.267,   8.070,   8.876)  (-10.266,   8.070,   8.877)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -1.115,   0.714,  -8.712)  ( -1.115,   0.714,  -8.711)  ( 0.02,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 25       (-103.569, -128.136,  25.148)  (-103.521, -128.087,  25.195)  ( 0.05,  0.04,  0.19)
163:     bond    (-211.119, -73.410, 130.098)  (-211.083, -73.372, 130.134)  ( 0.02,  0.05,  0.03)
163:     angle   (101.310, -53.221, -82.739)  (101.321, -53.210, -82.729)  ( 0.01,  0.02,  0.01)
163:     torsion (  5.623,  -5.739, -21.891)  (  5.624,  -5.739, -21.890)  ( 0.01,  0.01,  0.00)
163:     vdw     (  0.617,   4.234,  -0.319)  (  0.617,   4.234,  -0.319)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 26       (148.003, -52.584, -46.357)  (148.054, -52.537, -46.309)  ( 0.03,  0.09,  0.10)
163:     bond    (221.998, -39.244, -98.043)  (222.035, -39.208, -98.006)  ( 0.02,  0.09,  0.04)
163:     angle   (-70.313, -11.690,  49.482)  (-70.300, -11.680,  49.490)  ( 0.02,  0.09,  0.02)
163:     torsion ( -2.951,  -1.563,   3.076)  ( -2.951,  -1.562,   3.078)  ( 0.01,  0.06,  0.06)
163:     vdw     ( -0.731,  -0.087,  -0.871)  ( -0.731,  -0.086,  -0.871)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 27       (-28.670,   8.134,  59.350)  (-28.622,   8.183,  59.400)  ( 0.17,  0.60,  0.09)
163:     bond    ( 16.428, -45.067, -62.295)  ( 16.463, -45.031, -62.257)  ( 0.22,  0.08,  0.06)
163:     angle   (-41.522,  59.612, 114.960)  (-41.510,  59.624, 114.973)  ( 0.03,  0.02,  0.01)
163:     torsion ( -2.101,  -4.714,   1.575)  ( -2.100,  -4.713,   1.575)  ( 0.02,  0.01,  0.01)
163:     vdw     ( -1.474,  -1.697,   5.109)  ( -1.474,  -1.697,   5.109)  ( 0.02,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 28       (-65.776, -116.444, -168.849)  (-65.743, -116.432, -168.814)  ( 0.05,  0.01,  0.02)
163:     bond    (-91.400, -64.178, -145.605)  (-91.369, -64.168, -145.576)  ( 0.03,  0.02,  0.02)
163:     angle   (  5.291,   5.909, -19.982)  (  5.292,   5.911, -19.975)  ( 0.03,  0.03,  0.03)
163:     torsion ( 24.755, -54.327,  -0.890)  ( 24.755, -54.327,  -0.890)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -4.356,  -3.531,  -2.419)  ( -4.356,  -3.531,  -2.419)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.065,  -0.317,   0.047)  ( -0.065,  -0.317,   0.047)  ( 0.00,  0.00,  0.00)
163: 29       ( 13.541,  -1.375,  14.413)  ( 13.545,  -1.368,  14.436)  ( 0.03,  0.57,  0.16)
163:     bond    ( -2.527,   6.305,  13.258)  ( -2.526,   6.310,  13.280)  ( 0.03,  0.08,  0.17)
163:     angle   ( -1.790,  -7.991,   3.455)  ( -1.787,  -7.989,   3.456)  ( 0.15,  0.03,  0.02)
163:     torsion ( 11.156,   1.862,   1.237)  ( 11.156,   1.862,   1.237)  ( 0.00,  0.01,  0.00)
163:     vdw     (  6.701,  -1.551,  -3.538)  (  6.702,  -1.551,  -3.538)  ( 0.01,  0.02,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 30       ( 13.658,   3.967,   4.154)  ( 13.663,   3.973,   4.179)  ( 0.04,  0.14,  0.60)
163:     bond    ( -4.385,   6.385,  21.147)  ( -4.384,   6.387,  21.172)  ( 0.02,  0.03,  0.12)
163:     angle   ( -5.782,   6.470,  -3.150)  ( -5.779,   6.473,  -3.149)  ( 0.05,  0.04,  0.01)
163:     torsion ( -7.214,   3.986,  -2.696)  ( -7.214,   3.986,  -2.696)  ( 0.00,  0.01,  0.00)
163:     vdw     ( 31.039, -12.874, -11.148)  ( 31.040, -12.874, -11.148)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 31       (  1.990,   9.393,   5.876)  (  1.994,   9.399,   5.901)  ( 0.22,  0.06,  0.42)
163:     bond    ( -2.566,   4.555,  13.872)  ( -2.565,   4.558,  13.897)  ( 0.03,  0.06,  0.18)
163:     angle   ( -2.429,   9.198,  -3.466)  ( -2.426,   9.201,  -3.466)  ( 0.12,  0.03,  0.01)
163:     torsion (  6.879,   9.288,  -1.777)  (  6.879,   9.289,  -1.777)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.105, -13.649,  -2.753)  (  0.106, -13.648,  -2.753)  ( 0.01,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 32       ( 57.837,   1.786, -27.115)  ( 57.842,   1.793, -27.093)  ( 0.01,  0.42,  0.08)
163:     bond    (  3.506,  -7.742, -15.918)  (  3.507,  -7.737, -15.897)  ( 0.03,  0.07,  0.14)
163:     angle   (  9.605,   7.418,  -1.493)  (  9.608,   7.421,  -1.492)  ( 0.03,  0.03,  0.04)
163:     torsion ( 18.659,  -1.057,   4.631)  ( 18.659,  -1.057,   4.631)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 26.067,   3.167, -14.335)  ( 26.068,   3.167, -14.335)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 33       ( 14.364, -13.743, -37.821)  ( 14.377, -13.739, -37.804)  ( 0.10,  0.03,  0.05)
163:     bond    ( -7.727,   1.849,  -8.864)  ( -7.715,   1.850,  -8.848)  ( 0.15,  0.03,  0.17)
163:     angle   ( 33.140, -19.453, -32.965)  ( 33.142, -19.450, -32.963)  ( 0.01,  0.01,  0.01)
163:     torsion ( -4.366,   1.112,   4.039)  ( -4.366,   1.112,   4.039)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -6.683,   2.749,  -0.032)  ( -6.683,   2.750,  -0.032)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 34       ( 23.884, -10.167,  29.657)  ( 23.892, -10.160,  29.677)  ( 0.04,  0.07,  0.07)
163:     bond    ( -7.250,   6.500,  13.231)  ( -7.245,   6.504,  13.249)  ( 0.07,  0.07,  0.14)
163:     angle   ( 47.238, -12.047,  31.744)  ( 47.240, -12.044,  31.746)  ( 0.01,  0.02,  0.00)
163:     torsion (  9.341,  -1.519,   5.853)  (  9.341,  -1.519,   5.854)  ( 0.00,  0.00,  0.00)
163:     vdw     (-25.444,  -3.102, -21.171)  (-25.444,  -3.102, -21.171)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 35       ( 10.332, -31.970,   1.348)  ( 10.338, -31.963,   1.370)  ( 0.06,  0.02,  1.69)
163:     bond    (  3.124,  -3.066,  -8.742)  (  3.127,  -3.063,  -8.719)  ( 0.09,  0.09,  0.25)
163:     angle   ( 12.608, -22.166,  12.308)  ( 12.611, -22.163,  12.308)  ( 0.02,  0.01,  0.00)
163:     torsion (  0.153,  -7.870,   2.819)  (  0.153,  -7.869,   2.819)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -5.553,   1.132,  -5.038)  ( -5.553,   1.132,  -5.038)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 36       ( -6.466,  20.884,  20.761)  ( -6.462,  20.911,  20.765)  ( 0.07,  0.13,  0.02)
163:     bond    ( -3.810,  19.131,  -1.834)  ( -3.809,  19.158,  -1.834)  ( 0.03,  0.14,  0.01)
163:     angle   (  4.504,   3.776,  30.076)  (  4.507,   3.776,  30.079)  ( 0.06,  0.00,  0.01)
163:     torsion (  2.297,   0.110,  -3.623)  (  2.297,   0.110,  -3.623)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -9.457,  -2.132,  -3.858)  ( -9.456,  -2.132,  -3.858)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 37       (-12.946,  50.711,   2.547)  (-12.941,  50.715,   2.571)  ( 0.05,  0.01,  0.96)
163:     bond    ( -4.292,   1.550,  11.849)  ( -4.289,   1.550,  11.873)  ( 0.07,  0.02,  0.20)
163:     angle   (-11.613,  41.830,  -9.657)  (-11.611,  41.833,  -9.657)  ( 0.02,  0.01,  0.00)
163:     torsion ( -0.350,  14.090,  -1.966)  ( -0.350,  14.090,  -1.966)  ( 0.00,  0.00,  0.00)
163:     vdw     (  3.310,  -6.758,   2.322)  (  3.310,  -6.758,   2.322)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 38       ( 12.162,  -2.679, -25.125)  ( 12.166,  -2.652, -25.121)  ( 0.04,  0.99,  0.01)
163:     bond    (  0.872,  -4.448,  -0.345)  (  0.873,  -4.421,  -0.345)  ( 0.09,  0.60,  0.00)
163:     angle   ( 29.617,   8.776, -37.482)  ( 29.620,   8.776, -37.478)  ( 0.01,  0.00,  0.01)
163:     torsion ( -3.954,  -1.555,   9.923)  ( -3.954,  -1.555,   9.923)  ( 0.00,  0.00,  0.00)
163:     vdw     (-14.374,  -5.451,   2.779)  (-14.373,  -5.451,   2.779)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 39       (-11.317,  11.623,   1.301)  (-11.314,  11.651,   1.304)  ( 0.03,  0.24,  0.26)
163:     bond    ( -0.745,  13.908,  -2.464)  ( -0.745,  13.936,  -2.463)  ( 0.01,  0.20,  0.04)
163:     angle   (-23.223,  -1.528,  -1.621)  (-23.220,  -1.528,  -1.621)  ( 0.01,  0.00,  0.00)
163:     torsion (  0.064,   0.711,   4.004)  (  0.064,   0.712,   4.006)  ( 0.00,  0.00,  0.06)
163:     vdw     ( 12.897,  -1.590,   1.285)  ( 12.898,  -1.590,   1.285)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.311,   0.122,   0.097)  ( -0.311,   0.122,   0.097)  ( 0.00,  0.00,  0.00)
163: 40       (  9.143,   6.478,  24.537)  (  9.153,   6.483,  24.556)  ( 0.11,  0.08,  0.08)
163:     bond    ( 10.107,  -5.604,  15.334)  ( 10.114,  -5.601,  15.351)  ( 0.08,  0.04,  0.12)
163:     angle   ( -9.548,  13.884,  11.355)  ( -9.546,  13.887,  11.357)  ( 0.02,  0.02,  0.01)
163:     torsion (  6.178,   3.402,  -2.829)  (  6.179,   3.402,  -2.829)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.406,  -5.205,   0.678)  (  2.406,  -5.205,   0.678)  ( 0.01,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 41       ( -4.650,   7.844, -34.403)  ( -4.641,   7.850, -34.384)  ( 0.20,  0.07,  0.06)
163:     bond    ( 10.859,  -6.746, -17.542)  ( 10.866,  -6.743, -17.524)  ( 0.06,  0.04,  0.10)
163:     angle   ( -5.836,  27.046, -14.027)  ( -5.834,  27.049, -14.026)  ( 0.04,  0.01,  0.01)
163:     torsion ( -7.800,  -2.305,  -3.950)  ( -7.800,  -2.304,  -3.950)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -1.873, -10.151,   1.116)  ( -1.873, -10.151,   1.116)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 42       (-18.227,  16.574,  22.437)  (-18.223,  16.579,  22.464)  ( 0.02,  0.03,  0.12)
163:     bond    ( -4.536,  -1.204,  23.491)  ( -4.535,  -1.204,  23.517)  ( 0.02,  0.00,  0.11)
163:     angle   (-18.756,  29.534,  -2.104)  (-18.754,  29.538,  -2.104)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.359,  12.650,   0.578)  ( -0.359,  12.650,   0.578)  ( 0.00,  0.00,  0.00)
163:     vdw     (  5.424, -24.406,   0.473)  (  5.425, -24.406,   0.473)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 43       (  9.439, -23.152, -26.152)  (  9.445, -23.130, -26.147)  ( 0.07,  0.10,  0.02)
163:     bond    ( 10.127, -23.154,  -7.124)  ( 10.131, -23.133,  -7.122)  ( 0.04,  0.09,  0.03)
163:     angle   (  3.098,  12.480, -36.129)  (  3.100,  12.481, -36.126)  ( 0.07,  0.00,  0.01)
163:     torsion ( -4.414,  -5.361,  11.133)  ( -4.414,  -5.361,  11.133)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.628,  -7.117,   5.968)  (  0.628,  -7.117,   5.968)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 44       (-18.308,  21.708,  37.195)  (-18.302,  21.715,  37.216)  ( 0.03,  0.03,  0.06)
163:     bond    ( 12.023,  14.421,  31.723)  ( 12.026,  14.425,  31.744)  ( 0.02,  0.03,  0.06)
163:     angle   (-25.967,  22.741,  -0.499)  (-25.964,  22.743,  -0.498)  ( 0.01,  0.01,  0.04)
163:     torsion ( -6.470,  -5.757,   5.067)  ( -6.470,  -5.757,   5.067)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.106,  -9.696,   0.903)  (  2.106,  -9.695,   0.903)  ( 0.01,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 45       ( 17.466,  -4.350, -19.478)  ( 17.485,  -4.344, -19.468)  ( 0.11,  0.14,  0.05)
163:     bond    ( 15.328,  -6.631,  -9.661)  ( 15.346,  -6.628,  -9.654)  ( 0.11,  0.05,  0.07)
163:     angle   (-12.774,  -6.804, -15.635)  (-12.772,  -6.801, -15.633)  ( 0.01,  0.04,  0.02)
163:     torsion (  4.665,   8.801,   1.373)  (  4.665,   8.801,   1.373)  ( 0.00,  0.00,  0.01)
163:     vdw     ( 10.247,   0.284,   4.446)  ( 10.247,   0.284,   4.446)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 46       (  5.443, -10.453,  10.349)  (  5.446, -10.446,  10.374)  ( 0.06,  0.07,  0.24)
163:     bond    ( -1.383,   3.610,  10.485)  ( -1.382,   3.613,  10.510)  ( 0.03,  0.08,  0.23)
163:     angle   ( -3.762,   9.525,  -3.770)  ( -3.759,   9.528,  -3.769)  ( 0.07,  0.03,  0.01)
163:     torsion (  2.060, -14.244,   5.167)  (  2.060, -14.244,   5.167)  ( 0.00,  0.00,  0.00)
163:     vdw     (  8.527,  -9.343,  -1.534)  (  8.528,  -9.342,  -1.534)  ( 0.01,  0.01,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 47       ( 14.909,  24.069,  -0.998)  ( 14.921,  24.080,  -0.985)  ( 0.08,  0.04,  1.22)
163:     bond    (-19.186,  18.209,  19.946)  (-19.177,  18.217,  19.955)  ( 0.05,  0.05,  0.05)
163:     angle   (-10.140, -12.273,   1.458)  (-10.138, -12.271,   1.460)  ( 0.02,  0.02,  0.11)
163:     torsion (  1.713,  -3.616,   4.947)  (  1.713,  -3.616,   4.947)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 42.522,  21.749, -27.348)  ( 42.523,  21.749, -27.347)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 48       (  0.271,  -6.369, -45.452)  (  0.284,  -6.356, -45.443)  ( 0.33,  0.21,  0.02)
163:     bond    ( 15.320, -16.319, -12.372)  ( 15.330, -16.308, -12.365)  ( 0.06,  0.07,  0.05)
163:     angle   ( -6.821,  10.229, -21.950)  ( -6.819,  10.231, -21.947)  ( 0.03,  0.02,  0.01)
163:     torsion ( -4.990,   5.362, -13.259)  ( -4.990,   5.362, -13.259)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -3.237,  -5.641,   2.128)  ( -3.237,  -5.641,   2.128)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 49       (  1.829,   5.218,  10.089)  (  1.832,   5.223,  10.115)  ( 0.19,  0.10,  0.26)
163:     bond    (  0.604,  -2.066,   9.001)  (  0.604,  -2.065,   9.027)  ( 0.00,  0.06,  0.29)
163:     angle   (-16.609,   6.716,   2.648)  (-16.606,   6.719,   2.648)  ( 0.02,  0.05,  0.01)
163:     torsion (  8.906,  -7.026,  -2.203)  (  8.906,  -7.026,  -2.203)  ( 0.00,  0.00,  0.00)
163:     vdw     (  8.928,   7.594,   0.643)  (  8.928,   7.595,   0.643)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 50       (-11.640,   3.698,  15.971)  (-11.634,   3.710,  15.987)  ( 0.06,  0.32,  0.10)
163:     bond    ( -5.694,   8.448,  10.662)  ( -5.690,   8.457,  10.677)  ( 0.07,  0.11,  0.14)
163:     angle   (  7.408,  -8.795,  10.912)  (  7.411,  -8.792,  10.914)  ( 0.03,  0.02,  0.02)
163:     torsion ( -7.136,   5.355,  -8.045)  ( -7.136,   5.355,  -8.045)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -6.219,  -1.310,   2.441)  ( -6.218,  -1.310,   2.441)  ( 0.00,  0.03,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 51       ( 66.926,   4.468, -23.568)  ( 66.934,   4.475, -23.545)  ( 0.01,  0.16,  0.10)
163:     bond    (-15.111,  19.836, -44.913)  (-15.108,  19.840, -44.892)  ( 0.01,  0.02,  0.05)
163:     angle   (-11.684, -27.275,  -8.122)  (-11.681, -27.272,  -8.122)  ( 0.02,  0.01,  0.01)
163:     torsion (  8.855,  -9.794,  -7.309)  (  8.855,  -9.794,  -7.309)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 84.866,  21.701,  36.777)  ( 84.869,  21.701,  36.777)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 52       (-18.901,  20.130,  41.937)  (-18.895,  20.135,  41.961)  ( 0.03,  0.02,  0.06)
163:     bond    (  8.042,  -5.998,  22.303)  (  8.045,  -5.996,  22.326)  ( 0.04,  0.03,  0.10)
163:     angle   (-15.750,  30.338,  13.823)  (-15.747,  30.341,  13.824)  ( 0.02,  0.01,  0.00)
163:     torsion ( -8.777,   2.120,   3.732)  ( -8.777,   2.120,   3.732)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -2.416,  -6.330,   2.079)  ( -2.416,  -6.330,   2.079)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 53       ( -2.896,  -4.389, -11.917)  ( -2.889,  -4.374, -11.904)  ( 0.24,  0.34,  0.11)
163:     bond    (  1.758,  -3.138,  -2.882)  (  1.762,  -3.126,  -2.871)  ( 0.23,  0.41,  0.38)
163:     angle   (-18.853,   1.811, -13.541)  (-18.850,   1.812, -13.539)  ( 0.01,  0.09,  0.02)
163:     torsion (  8.054,   2.591,   2.121)  (  8.054,   2.591,   2.121)  ( 0.00,  0.00,  0.00)
163:     vdw     (  6.145,  -5.652,   2.385)  (  6.145,  -5.652,   2.385)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 54       (-15.234,  -2.793, -16.466)  (-15.230,  -2.789, -16.439)  ( 0.02,  0.13,  0.17)
163:     bond    (  0.489,  -0.125,  -5.592)  (  0.489,  -0.125,  -5.564)  ( 0.01,  0.00,  0.49)
163:     angle   ( -0.277,  -2.344,   0.028)  ( -0.274,  -2.342,   0.028)  ( 0.07,  0.12,  0.00)
163:     torsion (-15.165,  -2.831,  -1.270)  (-15.165,  -2.831,  -1.270)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -0.280,   2.507,  -9.633)  ( -0.280,   2.508,  -9.633)  ( 0.00,  0.02,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 55       (-35.014, -23.448, -13.773)  (-34.988, -23.444, -13.767)  ( 0.07,  0.02,  0.04)
163:     bond    (-42.421,  -3.708, -12.496)  (-42.395,  -3.708, -12.494)  ( 0.06,  0.00,  0.02)
163:     angle   (  2.620, -44.077,   4.186)  (  2.620, -44.074,   4.190)  ( 0.01,  0.01,  0.09)
163:     torsion (  1.119,   1.922,  -4.368)  (  1.119,   1.922,  -4.368)  ( 0.00,  0.00,  0.00)
163:     vdw     (  3.668,  22.415,  -1.095)  (  3.668,  22.416,  -1.095)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 56       ( -5.812, -27.433,  37.928)  ( -5.808, -27.429,  37.955)  ( 0.07,  0.02,  0.07)
163:     bond    (  0.956,   6.372,  29.517)  (  0.956,   6.373,  29.544)  ( 0.01,  0.02,  0.09)
163:     angle   (  6.708, -34.340,   7.190)  (  6.712, -34.336,   7.190)  ( 0.06,  0.01,  0.00)
163:     torsion ( -5.135,  -3.628,   0.949)  ( -5.135,  -3.628,   0.949)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -8.342,   4.162,   0.272)  ( -8.341,   4.162,   0.272)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 57       ( 24.496,  -2.483,  -6.484)  ( 24.503,  -2.464,  -6.474)  ( 0.03,  0.75,  0.15)
163:     bond    (  2.792,   5.902,  -3.640)  (  2.795,   5.919,  -3.634)  ( 0.14,  0.29,  0.18)
163:     angle   ( 24.017, -16.515,  -8.425)  ( 24.020, -16.514,  -8.422)  ( 0.01,  0.01,  0.04)
163:     torsion (  3.410,   1.056,   4.344)  (  3.410,   1.056,   4.344)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -5.722,   7.074,   1.237)  ( -5.722,   7.074,   1.237)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 58       ( -1.265, -41.556, -20.451)  ( -1.253, -41.537, -20.446)  ( 0.92,  0.05,  0.02)
163:     bond    ( 19.836, -27.005,  -6.315)  ( 19.845, -26.988,  -6.314)  ( 0.05,  0.06,  0.01)
163:     angle   (-27.049, -17.025, -12.251)  (-27.047, -17.024, -12.247)  ( 0.01,  0.01,  0.03)
163:     torsion (  0.947,   1.352,  -2.804)  (  0.947,   1.352,  -2.804)  ( 0.00,  0.00,  0.00)
163:     vdw     (  5.002,   1.122,   0.919)  (  5.002,   1.123,   0.919)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 59       (-12.302,  15.241, -22.467)  (-12.293,  15.260, -22.460)  ( 0.07,  0.13,  0.03)
163:     bond    (  5.921,  10.746,  -5.413)  (  5.926,  10.764,  -5.409)  ( 0.09,  0.17,  0.08)
163:     angle   (-24.933,   2.911, -21.522)  (-24.930,   2.913, -21.519)  ( 0.01,  0.05,  0.01)
163:     torsion ( -1.179,   1.820,   2.330)  ( -1.179,   1.820,   2.331)  ( 0.00,  0.00,  0.00)
163:     vdw     (  7.889,  -0.236,   2.137)  (  7.889,  -0.236,   2.137)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 60       (-22.289, -13.877,  21.831)  (-22.285, -13.872,  21.858)  ( 0.02,  0.03,  0.12)
163:     bond    ( -0.454,   2.644,  18.216)  ( -0.454,   2.645,  18.243)  ( 0.00,  0.02,  0.15)
163:     angle   (-31.660, -11.577,   0.890)  (-31.657, -11.573,   0.890)  ( 0.01,  0.03,  0.01)
163:     torsion (  0.274,  -3.709,   0.545)  (  0.274,  -3.709,   0.545)  ( 0.00,  0.00,  0.00)
163:     vdw     (  9.552,  -1.235,   2.180)  (  9.552,  -1.235,   2.180)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 61       (-39.791, -21.672,   6.376)  (-39.767, -21.666,   6.382)  ( 0.06,  0.02,  0.11)
163:     bond    (-38.512,  -9.274, -15.814)  (-38.489,  -9.273, -15.810)  ( 0.06,  0.01,  0.02)
163:     angle   ( -4.902, -31.814,  30.587)  ( -4.902, -31.810,  30.590)  ( 0.02,  0.01,  0.01)
163:     torsion ( -2.164,   5.162,   2.239)  ( -2.164,   5.162,   2.239)  ( 0.00,  0.00,  0.00)
163:     vdw     (  5.787,  14.254, -10.637)  (  5.788,  14.254, -10.637)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 62       (-51.597,  18.758,  -5.963)  (-51.591,  18.785,  -5.959)  ( 0.01,  0.15,  0.06)
163:     bond    (  3.501,  40.620,  -1.367)  (  3.501,  40.647,  -1.367)  ( 0.00,  0.07,  0.01)
163:     angle   ( 23.290,  -0.699,  38.845)  ( 23.294,  -0.699,  38.848)  ( 0.02,  0.00,  0.01)
163:     torsion (  6.343,  -0.580,  -1.005)  (  6.344,  -0.580,  -1.005)  ( 0.00,  0.00,  0.00)
163:     vdw     (-84.732, -20.583, -42.435)  (-84.729, -20.583, -42.435)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 63       ( 18.779, -14.958,  -2.598)  ( 18.794, -14.951,  -2.585)  ( 0.08,  0.05,  0.48)
163:     bond    ( 12.071,  -6.940, -10.740)  ( 12.084,  -6.936, -10.729)  ( 0.11,  0.06,  0.10)
163:     angle   (  9.842,  -9.251,  17.064)  (  9.844,  -9.248,  17.066)  ( 0.02,  0.03,  0.01)
163:     torsion ( -3.735,  -4.539,  -1.272)  ( -3.735,  -4.539,  -1.272)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.601,   5.772,  -7.650)  (  0.601,   5.772,  -7.649)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 64       ( -7.737, -18.679,  -1.345)  ( -7.710, -18.674,  -1.340)  ( 0.34,  0.03,  0.41)
163:     bond    (-31.885,  -5.119,   7.694)  (-31.859,  -5.118,   7.696)  ( 0.08,  0.01,  0.02)
163:     angle   ( -7.715, -28.179, -50.681)  ( -7.715, -28.175, -50.678)  ( 0.00,  0.01,  0.01)
163:     torsion (  1.280,  -4.540,   2.282)  (  1.280,  -4.540,   2.282)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 30.583,  19.159,  39.360)  ( 30.583,  19.159,  39.361)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 65       ( 40.384,  -7.087,  -1.162)  ( 40.395,  -7.079,  -1.145)  ( 0.03,  0.12,  1.44)
163:     bond    ( 18.276, -13.631,  25.487)  ( 18.284, -13.627,  25.503)  ( 0.04,  0.03,  0.06)
163:     angle   ( 33.298, -22.150, -35.710)  ( 33.301, -22.147, -35.709)  ( 0.01,  0.01,  0.00)
163:     torsion (  3.662,   3.773,  -0.609)  (  3.662,   3.773,  -0.609)  ( 0.00,  0.00,  0.00)
163:     vdw     (-14.851,  24.922,   9.670)  (-14.851,  24.922,   9.670)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 66       (-18.935,  17.431,  -6.491)  (-18.930,  17.458,  -6.487)  ( 0.03,  0.16,  0.06)
163:     bond    (  5.481,  39.355,   1.074)  (  5.482,  39.383,   1.074)  ( 0.01,  0.07,  0.02)
163:     angle   ( 25.175,  -2.445, -38.854)  ( 25.178,  -2.445, -38.851)  ( 0.01,  0.00,  0.01)
163:     torsion ( -4.466,   0.662,  -1.498)  ( -4.466,   0.662,  -1.498)  ( 0.00,  0.00,  0.00)
163:     vdw     (-45.125, -20.141,  32.788)  (-45.124, -20.141,  32.788)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 67       ( -2.632,  24.315,  23.802)  ( -2.628,  24.342,  23.805)  ( 0.13,  0.11,  0.02)
163:     bond    ( -2.205,  21.491,  -0.922)  ( -2.204,  21.518,  -0.922)  ( 0.01,  0.13,  0.00)
163:     angle   (  0.322,   1.460,  33.287)  (  0.325,   1.460,  33.291)  ( 0.09,  0.00,  0.01)
163:     torsion (  1.351,  -0.167,  -7.120)  (  1.351,  -0.167,  -7.120)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -2.100,   1.530,  -1.443)  ( -2.100,   1.530,  -1.443)  ( 0.01,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 68       (  8.621, -30.526,  -4.348)  (  8.627, -30.520,  -4.325)  ( 0.06,  0.02,  0.54)
163:     bond    (  3.678,  -3.681, -11.381)  (  3.681,  -3.678, -11.358)  ( 0.06,  0.06,  0.20)
163:     angle   ( 10.007, -25.098,  11.370)  ( 10.010, -25.094,  11.370)  ( 0.03,  0.01,  0.00)
163:     torsion (  1.105, -10.123,   3.636)  (  1.105, -10.123,   3.636)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -6.169,   8.376,  -7.973)  ( -6.168,   8.376,  -7.973)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 69       ( 19.868,  12.686,  10.166)  ( 19.877,  12.695,  10.185)  ( 0.04,  0.07,  0.19)
163:     bond    (-17.162,  19.982,  30.757)  (-17.157,  19.989,  30.773)  ( 0.03,  0.03,  0.05)
163:     angle   ( 23.074, -23.287,  27.989)  ( 23.077, -23.285,  27.991)  ( 0.01,  0.01,  0.01)
163:     torsion ( 11.543,  -4.396,   9.291)  ( 11.543,  -4.396,   9.291)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.412,  20.386, -57.871)  (  2.413,  20.387, -57.870)  ( 0.06,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 70       (  3.856,  -5.617, -23.123)  (  3.868,  -5.613, -23.104)  ( 0.31,  0.08,  0.08)
163:     bond    ( -7.666,   2.356, -10.475)  ( -7.657,   2.357, -10.457)  ( 0.12,  0.04,  0.17)
163:     angle   ( 15.864, -23.495, -16.914)  ( 15.866, -23.492, -16.913)  ( 0.01,  0.01,  0.01)
163:     torsion ( -7.048,   5.024,   6.293)  ( -7.048,   5.024,   6.293)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.706,  10.498,  -2.027)  (  2.707,  10.498,  -2.027)  ( 0.02,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 71       ( -2.147, -23.094, -11.990)  ( -2.124, -23.086, -11.983)  ( 1.06,  0.03,  0.05)
163:     bond    (-18.976,  -7.679,   6.984)  (-18.955,  -7.675,   6.987)  ( 0.11,  0.04,  0.04)
163:     angle   ( -6.130, -29.366, -48.884)  ( -6.129, -29.363, -48.881)  ( 0.02,  0.01,  0.01)
163:     torsion (  0.625,  -0.949,   0.653)  (  0.625,  -0.949,   0.653)  ( 0.00,  0.01,  0.00)
163:     vdw     ( 22.334,  14.900,  29.256)  ( 22.334,  14.900,  29.257)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 72       ( 20.627,  -9.034,   0.423)  ( 20.642,  -9.030,   0.439)  ( 0.07,  0.05,  0.69)
163:     bond    ( 18.783,  -5.397,  20.943)  ( 18.795,  -5.396,  20.958)  ( 0.06,  0.02,  0.07)
163:     angle   ( 36.607,  -6.618, -34.536)  ( 36.609,  -6.615, -34.535)  ( 0.01,  0.06,  0.00)
163:     torsion (  1.051,   1.742,  -0.494)  (  1.051,   1.742,  -0.494)  ( 0.00,  0.01,  0.00)
163:     vdw     (-35.814,   1.239,  14.510)  (-35.813,   1.239,  14.510)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 73       (-13.401,  18.857,  -7.984)  (-13.397,  18.885,  -7.980)  ( 0.04,  0.15,  0.05)
163:     bond    ( -4.324,  40.254,  -3.034)  ( -4.324,  40.282,  -3.034)  ( 0.00,  0.07,  0.00)
163:     angle   ( 25.583,  -0.124, -38.116)  ( 25.587,  -0.124, -38.112)  ( 0.01,  0.00,  0.01)
163:     torsion ( -1.041,  -0.132,  -0.271)  ( -1.040,  -0.132,  -0.271)  ( 0.02,  0.00,  0.00)
163:     vdw     (-33.620, -21.141,  33.436)  (-33.619, -21.141,  33.437)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 74       ( 37.644,  95.477, 158.215)  ( 37.658,  95.483, 158.242)  ( 0.04,  0.01,  0.02)
163:     bond    ( 96.412,  66.499, 143.448)  ( 96.424,  66.506, 143.473)  ( 0.01,  0.01,  0.02)
163:     angle   (-10.556,  -4.320,   9.095)  (-10.555,  -4.320,   9.096)  ( 0.02,  0.01,  0.01)
163:     torsion (-20.678,  40.377,  -4.819)  (-20.678,  40.377,  -4.819)  ( 0.00,  0.00,  0.00)
163:     vdw     (-27.549,  -7.301,  10.524)  (-27.548,  -7.301,  10.524)  ( 0.00,  0.00,  0.00)
163:     electro (  0.016,   0.222,  -0.032)  (  0.016,   0.222,  -0.032)  ( 0.00,  0.00,  0.00)
163: ok 22 # gradients 
163: ok 23 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (1291.687, -969.396, 620.852)  (1291.781, -969.306, 620.868)  ( 0.01,  0.01,  0.00)
163:     bond    (1151.916, -865.000, 587.078)  (1151.998, -864.921, 587.090)  ( 0.01,  0.01,  0.00)
163:     angle   (141.394, -102.369,  34.491)  (141.406, -102.358,  34.492)  ( 0.01,  0.01,  0.00)
163:     torsion (  1.153,  -0.854,  -0.677)  (  1.153,  -0.853,  -0.674)  ( 0.02,  0.04,  0.20)
163:     vdw     ( -2.776,  -1.173,  -0.040)  ( -2.776,  -1.173,  -0.040)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       (298.204, 971.668, -229.992)  (298.273, 971.756, -229.978)  ( 0.02,  0.01,  0.01)
163:     bond    (395.657, 810.891, -170.088)  (395.712, 810.968, -170.079)  ( 0.01,  0.01,  0.01)
163:     angle   (-92.800, 152.605, -73.608)  (-92.786, 152.616, -73.606)  ( 0.02,  0.01,  0.00)
163:     torsion ( -3.841,   4.521,  15.987)  ( -3.840,   4.521,  15.990)  ( 0.01,  0.01,  0.02)
163:     vdw     ( -0.926,   3.157,  -2.084)  ( -0.926,   3.158,  -2.084)  ( 0.02,  0.00,  0.00)
163:     electro (  0.113,   0.494,  -0.199)  (  0.113,   0.494,  -0.199)  ( 0.00,  0.00,  0.00)
163:  3       (-504.679, 126.706, -65.120)  (-504.604, 126.804, -65.117)  ( 0.01,  0.08,  0.00)
163:     bond    (-438.510, -79.388, -48.304)  (-438.448, -79.301, -48.304)  ( 0.01,  0.11,  0.00)
163:     angle   (-64.271, 207.170, -14.900)  (-64.258, 207.181, -14.900)  ( 0.02,  0.01,  0.00)
163:     torsion ( -0.850,   2.083,  -2.639)  ( -0.850,   2.083,  -2.637)  ( 0.00,  0.00,  0.10)
163:     vdw     ( -0.986,  -2.347,   0.473)  ( -0.986,  -2.346,   0.473)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.063,  -0.812,   0.250)  ( -0.063,  -0.812,   0.250)  ( 0.00,  0.00,  0.00)
163:  4       ( 62.544, 529.216, -221.024)  ( 62.642, 529.276, -221.001)  ( 0.16,  0.01,  0.01)
163:     bond    ( 45.030, 519.764, -212.292)  ( 45.117, 519.814, -212.273)  ( 0.19,  0.01,  0.01)
163:     angle   ( 18.074,   9.875,  -5.510)  ( 18.085,   9.885,  -5.509)  ( 0.06,  0.10,  0.03)
163:     torsion (  1.294,  -0.313,  -3.148)  (  1.294,  -0.312,  -3.146)  ( 0.01,  0.02,  0.07)
163:     vdw     ( -1.854,  -0.110,  -0.074)  ( -1.854,  -0.110,  -0.074)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-22.770, 472.854, -228.617)  (-22.763, 472.872, -228.611)  ( 0.03,  0.00,  0.00)
163:     bond    ( 13.426, 481.568, -210.659)  ( 13.429, 481.586, -210.653)  ( 0.02,  0.00,  0.00)
163:     angle   (-28.169,  -1.322,  -4.817)  (-28.165,  -1.322,  -4.817)  ( 0.02,  0.00,  0.00)
163:     torsion (  2.580,  -5.856, -13.223)  (  2.580,  -5.856, -13.223)  ( 0.00,  0.00,  0.00)
163:     vdw     (-10.608,  -1.537,   0.082)  (-10.607,  -1.537,   0.082)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (-928.350, -469.312,  34.230)  (-928.250, -469.218,  34.249)  ( 0.01,  0.02,  0.06)
163:     bond    (-902.944, -431.198,  18.869)  (-902.856, -431.115,  18.883)  ( 0.01,  0.02,  0.07)
163:     angle   (-25.680, -34.846,   9.724)  (-25.668, -34.835,   9.726)  ( 0.05,  0.03,  0.02)
163:     torsion ( -0.760,   1.680,   3.423)  ( -0.760,   1.680,   3.427)  ( 0.00,  0.02,  0.11)
163:     vdw     (  1.033,  -4.949,   2.213)  (  1.033,  -4.948,   2.213)  ( 0.03,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       (-549.758, 286.552, -158.102)  (-549.658, 286.644, -158.084)  ( 0.02,  0.03,  0.01)
163:     bond    (-597.550, 340.749, -188.434)  (-597.463, 340.828, -188.421)  ( 0.01,  0.02,  0.01)
163:     angle   ( 49.931, -59.660,  27.577)  ( 49.943, -59.648,  27.578)  ( 0.02,  0.02,  0.01)
163:     torsion ( -0.865,   0.514,   3.821)  ( -0.865,   0.514,   3.825)  ( 0.00,  0.02,  0.09)
163:     vdw     ( -1.273,   4.949,  -1.066)  ( -1.273,   4.949,  -1.066)  ( 0.02,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (-34.667,  32.173,  -9.961)  (-34.567,  32.238,  -9.950)  ( 0.29,  0.20,  0.12)
163:     bond    (-46.132, -26.291,   2.900)  (-46.046, -26.238,   2.907)  ( 0.19,  0.20,  0.24)
163:     angle   (  9.004,  61.588, -19.522)  (  9.017,  61.600, -19.521)  ( 0.14,  0.02,  0.01)
163:     torsion ( -0.650,   1.553,   4.817)  ( -0.650,   1.553,   4.820)  ( 0.00,  0.02,  0.06)
163:     vdw     (  2.823,  -4.536,   1.777)  (  2.823,  -4.536,   1.777)  ( 0.00,  0.00,  0.00)
163:     electro (  0.289,  -0.142,   0.068)  (  0.289,  -0.142,   0.068)  ( 0.00,  0.00,  0.00)
163:  9       (334.527, 813.316, -260.363)  (334.621, 813.379, -260.342)  ( 0.03,  0.01,  0.01)
163:     bond    (341.270, 863.401, -379.423)  (341.355, 863.451, -379.407)  ( 0.02,  0.01,  0.00)
163:     angle   ( -9.599, -45.337, 140.803)  ( -9.591, -45.324, 140.807)  ( 0.09,  0.03,  0.00)
163:     torsion (  3.306,  -5.368, -20.899)  (  3.306,  -5.367, -20.897)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.449,   0.620,  -0.845)  ( -0.449,   0.620,  -0.845)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 10       ( 50.138, -59.673,  18.059)  ( 50.240, -59.609,  18.073)  ( 0.20,  0.11,  0.08)
163:     bond    ( 48.676, -141.413,  55.636)  ( 48.765, -141.363,  55.645)  ( 0.18,  0.04,  0.02)
163:     angle   (  3.823,  83.323, -28.467)  (  3.835,  83.336, -28.465)  ( 0.32,  0.02,  0.01)
163:     torsion (  0.572,  -1.857,  -4.267)  (  0.572,  -1.856,  -4.265)  ( 0.00,  0.02,  0.07)
163:     vdw     ( -2.723,   0.223,  -4.741)  ( -2.723,   0.223,  -4.740)  ( 0.01,  0.01,  0.00)
163:     electro ( -0.209,   0.051,  -0.103)  ( -0.209,   0.051,  -0.103)  ( 0.00,  0.00,  0.00)
163: 11       (-392.354,  12.929, -110.427)  (-392.268,  13.023, -110.411)  ( 0.02,  0.73,  0.02)
163:     bond    (-182.246, -41.558, -12.366)  (-182.180, -41.484, -12.356)  ( 0.04,  0.18,  0.09)
163:     angle   (-211.321,  57.327, -98.054)  (-211.301,  57.348, -98.050)  ( 0.01,  0.04,  0.00)
163:     torsion (  1.783,  -2.219,   2.344)  (  1.783,  -2.219,   2.347)  ( 0.00,  0.01,  0.11)
163:     vdw     ( -0.570,  -0.621,  -2.351)  ( -0.570,  -0.621,  -2.351)  ( 0.01,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (-21.184, -22.404,  -4.521)  (-21.177, -22.378,  -4.516)  ( 0.03,  0.11,  0.10)
163:     bond    ( -0.630, -11.847,   4.471)  ( -0.630, -11.822,   4.474)  ( 0.01,  0.21,  0.08)
163:     angle   (-18.792,   0.237,  -2.020)  (-18.786,   0.237,  -2.020)  ( 0.03,  0.00,  0.01)
163:     torsion ( -0.802,   2.323,   6.024)  ( -0.802,   2.323,   6.025)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.842, -12.514, -13.245)  ( -0.841, -12.513, -13.245)  ( 0.07,  0.00,  0.00)
163:     electro ( -0.117,  -0.603,   0.249)  ( -0.117,  -0.603,   0.249)  ( 0.00,  0.00,  0.00)
163: 13       (209.974,  32.014,  22.390)  (210.050,  32.098,  22.401)  ( 0.04,  0.26,  0.05)
163:     bond    ( 81.425, 122.507, -29.385)  ( 81.485, 122.580, -29.377)  ( 0.07,  0.06,  0.03)
163:     angle   (130.006, -87.869,  44.052)  (130.023, -87.857,  44.053)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.675,   1.611,   4.879)  ( -0.675,   1.612,   4.882)  ( 0.00,  0.02,  0.05)
163:     vdw     ( -0.783,  -4.237,   2.844)  ( -0.783,  -4.237,   2.844)  ( 0.02,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 14       (-10.127,  14.003,  -6.537)  (-10.121,  14.029,  -6.533)  ( 0.06,  0.19,  0.06)
163:     bond    (  0.208,  14.769,  -4.898)  (  0.208,  14.795,  -4.895)  ( 0.00,  0.18,  0.06)
163:     angle   (-19.794,  -0.500,  -2.352)  (-19.788,  -0.500,  -2.352)  ( 0.03,  0.00,  0.00)
163:     torsion (  0.019,  -0.049,  -0.149)  (  0.019,  -0.049,  -0.148)  ( 0.00,  0.00,  0.01)
163:     vdw     (  9.632,  -0.733,   1.059)  (  9.632,  -0.733,   1.059)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.192,   0.517,  -0.197)  ( -0.192,   0.517,  -0.197)  ( 0.00,  0.00,  0.00)
163: 15       (-36.479,  39.621, -17.440)  (-36.462,  39.631, -17.437)  ( 0.05,  0.02,  0.01)
163:     bond    (-39.986,  24.828, -13.708)  (-39.972,  24.834, -13.706)  ( 0.03,  0.02,  0.01)
163:     angle   ( 30.703,  43.547, -10.639)  ( 30.705,  43.551, -10.639)  ( 0.01,  0.01,  0.00)
163:     torsion (  0.156,  -0.381,  -1.147)  (  0.156,  -0.381,  -1.146)  ( 0.00,  0.00,  0.04)
163:     vdw     (-27.352, -28.373,   8.054)  (-27.352, -28.372,   8.054)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 16       ( 52.310, -52.160, 139.358)  ( 52.367, -52.107, 139.378)  ( 0.11,  0.10,  0.01)
163:     bond    ( 68.278,  40.654,  58.158)  ( 68.324,  40.691,  58.170)  ( 0.07,  0.09,  0.02)
163:     angle   (-14.590, -95.896,  93.389)  (-14.578, -95.881,  93.396)  ( 0.08,  0.02,  0.01)
163:     torsion ( -1.966,   4.760, -13.239)  ( -1.966,   4.761, -13.238)  ( 0.00,  0.00,  0.01)
163:     vdw     (  0.587,  -1.677,   1.050)  (  0.587,  -1.677,   1.050)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 17       (164.485, -1750.099, 359.852)  (164.514, -1750.044, 359.905)  ( 0.02,  0.00,  0.01)
163:     bond    ( 87.415, -1695.554, 508.596)  ( 87.436, -1695.507, 508.638)  ( 0.02,  0.00,  0.01)
163:     angle   ( 80.485, -54.139, -148.780)  ( 80.492, -54.130, -148.770)  ( 0.01,  0.02,  0.01)
163:     torsion (  1.700,  -7.304,   2.419)  (  1.699,  -7.304,   2.419)  ( 0.04,  0.00,  0.00)
163:     vdw     ( -5.114,   6.898,  -2.383)  ( -5.113,   6.898,  -2.383)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 18       (-28.502, -72.471,  13.320)  (-28.482, -72.459,  13.325)  ( 0.07,  0.02,  0.04)
163:     bond    ( 14.638,  -9.522,   7.122)  ( 14.656,  -9.515,   7.126)  ( 0.12,  0.08,  0.06)
163:     angle   (-45.669, -63.224,   9.506)  (-45.667, -63.221,   9.506)  ( 0.00,  0.01,  0.00)
163:     torsion ( -0.598,   0.771,   2.258)  ( -0.598,   0.771,   2.258)  ( 0.00,  0.01,  0.02)
163:     vdw     (  4.797,   1.730,  -6.454)  (  4.797,   1.731,  -6.454)  ( 0.01,  0.04,  0.00)
163:     electro ( -1.671,  -2.225,   0.889)  ( -1.671,  -2.225,   0.889)  ( 0.00,  0.00,  0.00)
163: 19       (114.823, -41.665, -42.781)  (114.872, -41.615, -42.731)  ( 0.04,  0.12,  0.12)
163:     bond    ( 46.006, -62.726, -75.264)  ( 46.042, -62.686, -75.226)  ( 0.08,  0.06,  0.05)
163:     angle   ( 71.528,  17.445,  24.719)  ( 71.541,  17.454,  24.730)  ( 0.02,  0.05,  0.04)
163:     torsion ( -0.887,  -0.092,   4.539)  ( -0.886,  -0.091,   4.539)  ( 0.02,  0.00,  0.01)
163:     vdw     ( -1.826,   3.708,   3.226)  ( -1.825,   3.709,   3.226)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       (  0.359,  94.777,   7.548)  (  0.409,  94.829,   7.594)  ( 1.80,  0.06,  0.61)
163:     bond    (-39.306,  77.507,  -9.832)  (-39.267,  77.545,  -9.795)  ( 0.10,  0.05,  0.38)
163:     angle   ( 29.541,  14.158,  21.655)  ( 29.551,  14.172,  21.664)  ( 0.03,  0.10,  0.04)
163:     torsion (  0.559,  -2.282,   2.657)  (  0.560,  -2.282,   2.658)  ( 0.01,  0.02,  0.02)
163:     vdw     (  9.565,   5.394,  -6.932)  (  9.566,   5.394,  -6.932)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 21       (-15.626,   9.796,  -8.493)  (-15.606,   9.807,  -8.489)  ( 0.13,  0.11,  0.05)
163:     bond    (-18.997,  12.730,  -1.669)  (-18.978,  12.738,  -1.669)  ( 0.10,  0.07,  0.00)
163:     angle   ( -9.429, -17.517, -26.477)  ( -9.428, -17.515, -26.473)  ( 0.01,  0.01,  0.01)
163:     torsion (  0.444,   0.852,   1.457)  (  0.444,   0.852,   1.457)  ( 0.00,  0.00,  0.01)
163:     vdw     ( 12.356,  13.731,  18.195)  ( 12.357,  13.731,  18.196)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 22       ( 16.790, -14.975,   7.995)  ( 16.794, -14.970,   8.021)  ( 0.02,  0.04,  0.32)
163:     bond    (  0.839,  -3.049,   9.710)  (  0.839,  -3.047,   9.735)  ( 0.01,  0.08,  0.26)
163:     angle   ( 17.920, -10.218,  -4.742)  ( 17.923, -10.215,  -4.741)  ( 0.02,  0.03,  0.01)
163:     torsion (  1.554,  -3.125,  -1.112)  (  1.554,  -3.125,  -1.112)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -3.522,   1.417,   4.139)  ( -3.522,   1.417,   4.139)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 23       ( -3.383,  26.547,  -7.292)  ( -3.331,  26.599,  -7.247)  ( 1.52,  0.19,  0.62)
163:     bond    ( -5.729, -62.233,   5.658)  ( -5.688, -62.197,   5.694)  ( 0.72,  0.06,  0.64)
163:     angle   (  3.696,  79.918, -15.987)  (  3.706,  79.932, -15.979)  ( 0.27,  0.02,  0.05)
163:     torsion (  0.547,   3.703,   0.318)  (  0.547,   3.703,   0.319)  ( 0.01,  0.01,  0.02)
163:     vdw     ( -1.897,   5.160,   2.720)  ( -1.897,   5.160,   2.720)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 24       ( -8.564, -14.110, -19.019)  ( -8.561, -14.092, -19.005)  ( 0.04,  0.12,  0.08)
163:     bond    ( -0.478, -14.334, -12.772)  ( -0.478, -14.319, -12.760)  ( 0.00,  0.11,  0.10)
163:     angle   (-14.163,   1.214,  -0.836)  (-14.161,   1.216,  -0.834)  ( 0.02,  0.13,  0.17)
163:     torsion (  1.364,  -0.748,   0.788)  (  1.364,  -0.748,   0.788)  ( 0.01,  0.01,  0.01)
163:     vdw     (  4.712,  -0.241,  -6.199)  (  4.712,  -0.241,  -6.199)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 25       ( 15.923,   6.709, -14.172)  ( 15.972,   6.759, -14.123)  ( 0.30,  0.75,  0.35)
163:     bond    (-43.493,  18.715,  43.123)  (-43.457,  18.755,  43.161)  ( 0.08,  0.21,  0.09)
163:     angle   ( 52.144,  -7.332, -54.175)  ( 52.156,  -7.322, -54.164)  ( 0.02,  0.13,  0.02)
163:     torsion (  3.258,  -0.518,  -1.719)  (  3.259,  -0.518,  -1.718)  ( 0.01,  0.01,  0.03)
163:     vdw     (  4.014,  -4.156,  -1.402)  (  4.014,  -4.156,  -1.402)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 26       (  8.967,  13.422,  21.262)  (  8.971,  13.430,  21.286)  ( 0.05,  0.06,  0.11)
163:     bond    (  2.558,  -5.615,  13.404)  (  2.558,  -5.611,  13.427)  ( 0.03,  0.07,  0.17)
163:     angle   (-11.664,   4.967,   4.298)  (-11.661,   4.970,   4.299)  ( 0.02,  0.06,  0.02)
163:     torsion ( -1.780,   1.821,   1.100)  ( -1.780,   1.821,   1.100)  ( 0.00,  0.01,  0.00)
163:     vdw     ( 19.854,  12.250,   2.460)  ( 19.854,  12.250,   2.460)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 27       (-323.145, -271.799, 112.451)  (-323.099, -271.749, 112.477)  ( 0.01,  0.02,  0.02)
163:     bond    (-277.510, -232.743, 103.218)  (-277.472, -232.705, 103.231)  ( 0.01,  0.02,  0.01)
163:     angle   (-42.969, -37.089,   8.185)  (-42.962, -37.077,   8.196)  ( 0.02,  0.03,  0.14)
163:     torsion ( -3.196,  -2.651,   1.412)  ( -3.196,  -2.651,   1.412)  ( 0.00,  0.01,  0.03)
163:     vdw     (  0.465,   0.546,  -0.326)  (  0.465,   0.546,  -0.326)  ( 0.00,  0.00,  0.00)
163:     electro (  0.066,   0.137,  -0.038)  (  0.066,   0.137,  -0.038)  ( 0.00,  0.00,  0.00)
163: 28       ( -9.937, -12.237, -27.175)  ( -9.933, -12.229, -27.152)  ( 0.04,  0.06,  0.09)
163:     bond    ( -2.224,   5.760, -12.961)  ( -2.224,   5.765, -12.939)  ( 0.03,  0.08,  0.17)
163:     angle   ( -1.338, -21.273,  -9.248)  ( -1.335, -21.270,  -9.247)  ( 0.21,  0.01,  0.01)
163:     torsion (  0.876,  -5.005,  -2.380)  (  0.876,  -5.005,  -2.380)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -7.251,   8.281,  -2.586)  ( -7.251,   8.281,  -2.586)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 29       (  1.693,  12.470,  31.606)  (  1.696,  12.488,  31.620)  ( 0.18,  0.14,  0.04)
163:     bond    (  1.386,  19.430,  16.782)  (  1.386,  19.446,  16.793)  ( 0.00,  0.08,  0.07)
163:     angle   (  0.745, -13.698,  15.796)  (  0.748, -13.697,  15.798)  ( 0.22,  0.01,  0.01)
163:     torsion ( -0.853,   1.947,  -2.184)  ( -0.853,   1.947,  -2.184)  ( 0.01,  0.00,  0.00)
163:     vdw     (  0.415,   4.792,   1.212)  (  0.416,   4.792,   1.212)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 30       ( 21.804, -19.915,  15.948)  ( 21.825, -19.906,  15.952)  ( 0.10,  0.05,  0.02)
163:     bond    ( 21.630, -12.881,   1.409)  ( 21.650, -12.874,   1.409)  ( 0.09,  0.06,  0.00)
163:     angle   ( -4.510,  -5.515,  18.908)  ( -4.509,  -5.513,  18.912)  ( 0.02,  0.04,  0.02)
163:     torsion (  0.258,   0.167,  -2.434)  (  0.258,   0.167,  -2.434)  ( 0.00,  0.00,  0.01)
163:     vdw     (  4.426,  -1.686,  -1.936)  (  4.427,  -1.686,  -1.936)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 31       (-24.628,   9.539, -16.258)  (-24.624,   9.545, -16.233)  ( 0.02,  0.06,  0.16)
163:     bond    ( -1.471,   4.253, -13.478)  ( -1.471,   4.256, -13.453)  ( 0.02,  0.06,  0.18)
163:     angle   (-21.315,   8.697,   5.082)  (-21.311,   8.700,   5.082)  ( 0.02,  0.03,  0.01)
163:     torsion ( -3.798,   2.727,   1.278)  ( -3.798,   2.727,   1.278)  ( 0.00,  0.00,  0.00)
163:     vdw     (  1.957,  -6.137,  -9.140)  (  1.957,  -6.137,  -9.140)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 32       (267.216, 221.662, -108.445)  (267.232, 221.677, -108.439)  ( 0.01,  0.01,  0.01)
163:     bond    (250.100, 215.399, -125.960)  (250.113, 215.408, -125.958)  ( 0.01,  0.00,  0.00)
163:     angle   (  2.594,   1.539,   7.794)  (  2.597,   1.544,   7.797)  ( 0.10,  0.32,  0.04)
163:     torsion (  2.306,  -0.267,   4.123)  (  2.306,  -0.267,   4.123)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 12.243,   5.078,   5.570)  ( 12.244,   5.078,   5.571)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.028,  -0.087,   0.029)  ( -0.028,  -0.087,   0.029)  ( 0.00,  0.00,  0.00)
163: 33       ( 94.657, -75.303,  31.434)  ( 94.664, -75.239,  31.434)  ( 0.01,  0.09,  0.00)
163:     bond    ( -6.861, -41.473,   0.804)  ( -6.859, -41.410,   0.804)  ( 0.02,  0.15,  0.01)
163:     angle   ( 79.707, -13.015,   9.723)  ( 79.711, -13.015,   9.723)  ( 0.01,  0.00,  0.00)
163:     torsion ( -2.073,   0.690,  17.856)  ( -2.073,   0.690,  17.856)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 26.743, -24.254,   3.560)  ( 26.743, -24.253,   3.560)  ( 0.00,  0.00,  0.00)
163:     electro ( -2.859,   2.749,  -0.509)  ( -2.859,   2.749,  -0.509)  ( 0.00,  0.00,  0.00)
163: 34       (-162.925, -385.483,   0.508)  (-162.878, -385.447,   0.513)  ( 0.03,  0.01,  0.25)
163:     bond    (-118.840, -234.811,   0.749)  (-118.797, -234.783,   0.751)  ( 0.04,  0.01,  0.17)
163:     angle   (-31.194, -139.586,   3.796)  (-31.192, -139.579,   3.796)  ( 0.01,  0.01,  0.02)
163:     torsion (  0.858,  -0.272,  -6.868)  (  0.858,  -0.272,  -6.867)  ( 0.00,  0.00,  0.03)
163:     vdw     (-15.468, -14.017,   4.082)  (-15.468, -14.017,   4.082)  ( 0.00,  0.00,  0.00)
163:     electro (  1.719,   3.204,  -1.249)  (  1.719,   3.204,  -1.249)  ( 0.00,  0.00,  0.00)
163: 35       (142.773, 236.088,  -1.496)  (142.802, 236.107,  -1.493)  ( 0.02,  0.01,  0.17)
163:     bond    (206.434, 163.892,  13.017)  (206.460, 163.909,  13.018)  ( 0.01,  0.01,  0.01)
163:     angle   (-39.945,  50.897,  -7.365)  (-39.944,  50.898,  -7.365)  ( 0.00,  0.00,  0.00)
163:     torsion (  0.431,  -0.230,  -3.930)  (  0.431,  -0.230,  -3.929)  ( 0.00,  0.00,  0.03)
163:     vdw     (-27.097,  24.813,  -4.027)  (-27.097,  24.813,  -4.027)  ( 0.00,  0.00,  0.00)
163:     electro (  2.951,  -3.283,   0.810)  (  2.951,  -3.283,   0.810)  ( 0.00,  0.00,  0.00)
163: 36       (-348.144,  45.726, -15.226)  (-348.081,  45.755, -15.186)  ( 0.02,  0.06,  0.26)
163:     bond    (-239.050,  39.747, -32.741)  (-238.998,  39.769, -32.711)  ( 0.02,  0.06,  0.09)
163:     angle   (-98.891,  -1.257,  19.357)  (-98.879,  -1.249,  19.367)  ( 0.01,  0.59,  0.05)
163:     torsion (-12.409,   2.698,  -2.484)  (-12.409,   2.697,  -2.484)  ( 0.00,  0.03,  0.02)
163:     vdw     (  2.205,   4.537,   0.642)  (  2.205,   4.537,   0.642)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 37       (260.970, 137.842, 191.207)  (261.009, 137.882, 191.260)  ( 0.02,  0.03,  0.03)
163:     bond    (191.217, 106.275, 118.659)  (191.249, 106.307, 118.700)  ( 0.02,  0.03,  0.03)
163:     angle   ( 64.540,  22.288,  66.066)  ( 64.548,  22.296,  66.078)  ( 0.01,  0.04,  0.02)
163:     torsion (  9.181,   7.136,   5.651)  (  9.180,   7.135,   5.651)  ( 0.01,  0.01,  0.00)
163:     vdw     ( -3.968,   2.143,   0.831)  ( -3.968,   2.143,   0.831)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 38       ( 16.136,  59.317, -86.231)  ( 16.143,  59.328, -86.216)  ( 0.04,  0.02,  0.02)
163:     bond    (-31.265,  54.954, -64.675)  (-31.262,  54.964, -64.661)  ( 0.01,  0.02,  0.02)
163:     angle   ( 44.812,   3.736, -18.493)  ( 44.817,   3.737, -18.492)  ( 0.01,  0.02,  0.01)
163:     torsion (  6.391,  -0.139,  -3.207)  (  6.390,  -0.139,  -3.208)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -3.801,   0.766,   0.144)  ( -3.801,   0.766,   0.144)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 39       (-24.158, -54.978,  89.296)  (-24.143, -54.974,  89.310)  ( 0.06,  0.01,  0.02)
163:     bond    (-61.767, -23.258,  61.775)  (-61.754, -23.257,  61.787)  ( 0.02,  0.01,  0.02)
163:     angle   ( 34.251, -33.220,  21.730)  ( 34.254, -33.218,  21.732)  ( 0.01,  0.01,  0.01)
163:     torsion (  5.676,  -2.819,   4.611)  (  5.675,  -2.819,   4.611)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -2.318,   4.320,   1.179)  ( -2.318,   4.320,   1.179)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 40       ( 26.973,  60.878, -82.459)  ( 26.982,  60.894, -82.450)  ( 0.03,  0.03,  0.01)
163:     bond    ( 49.149,  67.374, -37.914)  ( 49.157,  67.388, -37.910)  ( 0.02,  0.02,  0.01)
163:     angle   (-22.261,  -6.635, -40.663)  (-22.260,  -6.635, -40.658)  ( 0.01,  0.01,  0.01)
163:     torsion ( -2.626,  -1.535,  -6.134)  ( -2.626,  -1.535,  -6.134)  ( 0.01,  0.01,  0.00)
163:     vdw     (  2.712,   1.675,   2.252)  (  2.712,   1.675,   2.252)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 41       (-17.184, -55.174,  88.068)  (-17.181, -55.171,  88.094)  ( 0.02,  0.01,  0.03)
163:     bond    ( 16.566, -13.316,  86.606)  ( 16.566, -13.315,  86.633)  ( 0.00,  0.00,  0.03)
163:     angle   (-30.264, -36.708,   0.145)  (-30.261, -36.704,   0.145)  ( 0.01,  0.01,  0.00)
163:     torsion ( -6.068,  -5.375,   0.334)  ( -6.068,  -5.375,   0.334)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.582,   0.224,   0.982)  (  2.582,   0.224,   0.982)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 42       ( 11.928,  73.660, -65.040)  ( 11.931,  73.665, -65.015)  ( 0.03,  0.01,  0.04)
163:     bond    ( 19.792,   1.676, -61.552)  ( 19.794,   1.675, -61.526)  ( 0.01,  0.02,  0.04)
163:     angle   ( -6.567,  67.409,  -0.277)  ( -6.566,  67.413,  -0.277)  ( 0.01,  0.01,  0.00)
163:     torsion ( -1.571,   7.699,  -0.296)  ( -1.572,   7.699,  -0.296)  ( 0.01,  0.00,  0.00)
163:     vdw     (  0.274,  -3.123,  -2.916)  (  0.275,  -3.123,  -2.916)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 24 # gradients 
163: ok 25 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (473.590, -2725.065, -91.006)  (473.669, -2725.008, -90.997)  ( 0.02,  0.00,  0.01)
163:     bond    (570.063, -2587.592, -73.527)  (570.134, -2587.549, -73.519)  ( 0.01,  0.00,  0.01)
163:     angle   (-97.632, -137.351, -17.200)  (-97.625, -137.337, -17.201)  ( 0.01,  0.01,  0.00)
163:     torsion (  0.039,   0.013,  -0.294)  (  0.039,   0.013,  -0.293)  ( 0.00,  0.00,  0.05)
163:     vdw     (  1.094,  -0.150,   0.082)  (  1.094,  -0.150,   0.082)  ( 0.00,  0.00,  0.00)
163:     electro (  0.027,   0.016,  -0.067)  (  0.027,   0.016,  -0.067)  ( 0.00,  0.00,  0.00)
163:  2       (456.237, -40.002,  47.232)  (456.330, -39.924,  47.237)  ( 0.02,  0.19,  0.01)
163:     bond    (484.272, -90.146,  51.927)  (484.352, -90.080,  51.929)  ( 0.02,  0.07,  0.00)
163:     angle   (-27.516,  51.039,  -0.309)  (-27.503,  51.050,  -0.309)  ( 0.05,  0.02,  0.01)
163:     torsion (  0.507,   0.271,  -4.293)  (  0.507,   0.271,  -4.290)  ( 0.00,  0.00,  0.07)
163:     vdw     ( -1.088,  -1.174,   0.018)  ( -1.088,  -1.174,   0.018)  ( 0.01,  0.00,  0.00)
163:     electro (  0.062,   0.008,  -0.111)  (  0.062,   0.008,  -0.111)  ( 0.00,  0.00,  0.00)
163:  3       (-439.682, 272.667, -20.145)  (-439.604, 272.755, -20.140)  ( 0.02,  0.03,  0.03)
163:     bond    (-434.344, 334.129, -31.017)  (-434.277, 334.205, -31.016)  ( 0.02,  0.02,  0.00)
163:     angle   (  0.578, -64.603,  -4.985)  (  0.589, -64.592,  -4.984)  ( 0.64,  0.02,  0.03)
163:     torsion ( -1.894,  -0.881,  16.709)  ( -1.894,  -0.881,  16.711)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -4.022,   4.022,  -0.852)  ( -4.022,   4.022,  -0.852)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (-2540.305, -769.727, -316.047)  (-2540.258, -769.642, -316.037)  ( 0.00,  0.01,  0.00)
163:     bond    (-2564.733, -676.690, -321.730)  (-2564.698, -676.613, -321.723)  ( 0.00,  0.01,  0.00)
163:     angle   ( 27.297, -91.996,  12.159)  ( 27.308, -91.988,  12.161)  ( 0.04,  0.01,  0.01)
163:     torsion ( -0.005,  -0.273,  -6.256)  ( -0.005,  -0.273,  -6.254)  ( 0.00,  0.00,  0.02)
163:     vdw     ( -2.864,  -0.768,  -0.221)  ( -2.864,  -0.768,  -0.220)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (152.615,  23.670, -20.267)  (152.663,  23.722, -20.222)  ( 0.03,  0.22,  0.22)
163:     bond    (210.345, -55.349, -26.984)  (210.383, -55.310, -26.947)  ( 0.02,  0.07,  0.14)
163:     angle   (-50.047,  74.481,  16.185)  (-50.037,  74.494,  16.193)  ( 0.02,  0.02,  0.05)
163:     torsion (  0.131,   0.423,  -7.331)  (  0.131,   0.424,  -7.330)  ( 0.00,  0.01,  0.01)
163:     vdw     ( -7.814,   4.115,  -2.137)  ( -7.814,   4.115,  -2.137)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (1785.590, 3194.715, 371.046)  (1785.622, 3194.747, 371.062)  ( 0.00,  0.00,  0.00)
163:     bond    (1706.986, 3075.895, 357.608)  (1707.015, 3075.923, 357.623)  ( 0.00,  0.00,  0.00)
163:     angle   ( 78.219, 118.734,  12.897)  ( 78.222, 118.737,  12.898)  ( 0.00,  0.00,  0.01)
163:     torsion ( -0.042,  -0.079,   0.498)  ( -0.042,  -0.079,   0.498)  ( 0.00,  0.00,  0.01)
163:     vdw     (  0.426,   0.166,   0.043)  (  0.426,   0.166,   0.043)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       ( 79.851,  46.237,  75.880)  ( 79.900,  46.286,  75.900)  ( 0.06,  0.11,  0.03)
163:     bond    ( 96.990,  49.734, 133.186)  ( 97.033,  49.778, 133.199)  ( 0.04,  0.09,  0.01)
163:     angle   (-23.803,   0.498, -50.811)  (-23.797,   0.504, -50.804)  ( 0.03,  0.28,  0.01)
163:     torsion (  3.659,  -4.370,  -7.003)  (  3.659,  -4.370,  -7.002)  ( 0.00,  0.00,  0.01)
163:     vdw     (  3.005,   0.375,   0.507)  (  3.005,   0.375,   0.507)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (  1.028,  17.661, -26.397)  (  1.031,  17.684, -26.388)  ( 0.33,  0.13,  0.03)
163:     bond    (  0.649,  28.028, -13.838)  (  0.649,  28.050, -13.832)  ( 0.01,  0.08,  0.04)
163:     angle   ( 18.498, -10.591, -20.611)  ( 18.501, -10.590, -20.608)  ( 0.02,  0.01,  0.01)
163:     torsion (  0.531,   0.253,   0.537)  (  0.531,   0.253,   0.537)  ( 0.00,  0.00,  0.00)
163:     vdw     (-18.650,  -0.029,   7.514)  (-18.650,  -0.029,   7.514)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  9       ( -3.258, -11.551,  14.666)  ( -3.254, -11.547,  14.693)  ( 0.11,  0.04,  0.18)
163:     bond    (  1.501,   1.340,   9.477)  (  1.502,   1.341,   9.504)  ( 0.04,  0.04,  0.28)
163:     angle   ( 10.124, -22.656,   1.596)  ( 10.127, -22.652,   1.596)  ( 0.03,  0.02,  0.01)
163:     torsion ( -0.444,  -0.586,   0.153)  ( -0.444,  -0.586,   0.153)  ( 0.00,  0.00,  0.00)
163:     vdw     (-14.439,  10.351,   3.440)  (-14.439,  10.351,   3.440)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 10       (  8.999,  23.828,  -9.746)  (  9.046,  23.880,  -9.699)  ( 0.52,  0.22,  0.48)
163:     bond    (-48.888, 105.451, -60.397)  (-48.852, 105.493, -60.360)  ( 0.07,  0.04,  0.06)
163:     angle   ( 51.506, -71.132,  52.476)  ( 51.518, -71.122,  52.486)  ( 0.02,  0.01,  0.02)
163:     torsion (  2.888,  -2.402,  -0.834)  (  2.888,  -2.402,  -0.834)  ( 0.01,  0.01,  0.03)
163:     vdw     (  3.492,  -8.089,  -0.991)  (  3.493,  -8.089,  -0.991)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       (168.618, -73.192,  -8.367)  (168.664, -73.142,  -8.323)  ( 0.03,  0.07,  0.52)
163:     bond    (174.455, -73.803,  12.300)  (174.491, -73.766,  12.336)  ( 0.02,  0.05,  0.29)
163:     angle   ( -5.169,   2.391, -28.800)  ( -5.158,   2.404, -28.792)  ( 0.20,  0.57,  0.03)
163:     torsion ( -1.039,  -0.893,   8.375)  ( -1.039,  -0.893,   8.376)  ( 0.01,  0.02,  0.00)
163:     vdw     (  0.371,  -0.887,  -0.242)  (  0.371,  -0.887,  -0.242)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       ( 29.009,  -1.837, -22.246)  ( 29.025,  -1.824, -22.240)  ( 0.06,  0.69,  0.03)
163:     bond    ( 19.172, -16.718,  -8.157)  ( 19.186, -16.707,  -8.155)  ( 0.07,  0.06,  0.03)
163:     angle   ( 12.531,  27.144, -26.134)  ( 12.533,  27.146, -26.130)  ( 0.01,  0.01,  0.01)
163:     torsion ( -0.871,  -4.448,   7.065)  ( -0.871,  -4.448,   7.065)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -1.823,  -7.815,   4.980)  ( -1.822,  -7.815,   4.980)  ( 0.02,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 13       (-18.591,  20.067,  11.603)  (-18.588,  20.071,  11.630)  ( 0.02,  0.02,  0.24)
163:     bond    (  0.549,   0.488,   6.488)  (  0.549,   0.488,   6.515)  ( 0.01,  0.01,  0.42)
163:     angle   (-20.628,  20.227,   0.222)  (-20.625,  20.230,   0.222)  ( 0.02,  0.02,  0.00)
163:     torsion ( -3.898,   9.473,  -0.381)  ( -3.898,   9.473,  -0.381)  ( 0.00,  0.00,  0.00)
163:     vdw     (  5.386, -10.121,   5.274)  (  5.386, -10.120,   5.274)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 14       ( -4.732,  12.031, -27.864)  ( -4.729,  12.039, -27.840)  ( 0.06,  0.06,  0.08)
163:     bond    (  1.186,  -7.219, -16.041)  (  1.186,  -7.214, -16.018)  ( 0.00,  0.06,  0.14)
163:     angle   (  3.461,  11.430,  -4.894)  (  3.464,  11.433,  -4.893)  ( 0.08,  0.03,  0.01)
163:     torsion ( -3.441,   8.521,  -4.093)  ( -3.441,   8.521,  -4.093)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -5.938,  -0.701,  -2.837)  ( -5.938,  -0.701,  -2.837)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 15       (-13.698, -11.039,  21.550)  (-13.694, -11.022,  21.564)  ( 0.03,  0.15,  0.06)
163:     bond    ( -4.106, -16.342,  14.622)  ( -4.105, -16.327,  14.634)  ( 0.02,  0.09,  0.08)
163:     angle   ( -9.290,  14.645,  13.733)  ( -9.287,  14.646,  13.736)  ( 0.03,  0.01,  0.02)
163:     torsion (  4.719,  -6.094,  -5.475)  (  4.719,  -6.094,  -5.475)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -5.020,  -3.247,  -1.330)  ( -5.020,  -3.247,  -1.330)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 16       (  1.863,  81.697,   5.197)  (  1.890,  81.704,   5.198)  ( 1.45,  0.01,  0.01)
163:     bond    (-16.753,   4.379,  -1.879)  (-16.726,   4.381,  -1.879)  ( 0.16,  0.04,  0.01)
163:     angle   ( 19.859,  78.705,   6.738)  ( 19.860,  78.711,   6.738)  ( 0.00,  0.01,  0.00)
163:     torsion ( -0.066,  -0.028,   0.522)  ( -0.066,  -0.028,   0.523)  ( 0.00,  0.00,  0.02)
163:     vdw     ( -0.387,  -0.730,  -0.098)  ( -0.387,  -0.730,  -0.098)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.790,  -0.630,  -0.086)  ( -0.790,  -0.630,  -0.086)  ( 0.00,  0.00,  0.00)
163: 17       ( 16.835,   7.907,   3.018)  ( 16.841,   7.936,   3.018)  ( 0.03,  0.36,  0.02)
163:     bond    ( -0.453,   5.351,   0.238)  ( -0.453,   5.379,   0.238)  ( 0.01,  0.54,  0.00)
163:     angle   ( 16.859,   1.351,   1.571)  ( 16.865,   1.351,   1.571)  ( 0.03,  0.00,  0.01)
163:     torsion ( -0.089,  -0.042,   0.787)  ( -0.089,  -0.042,   0.788)  ( 0.00,  0.00,  0.06)
163:     vdw     ( -0.202,   0.587,   0.186)  ( -0.202,   0.587,   0.186)  ( 0.00,  0.00,  0.00)
163:     electro (  0.721,   0.661,   0.236)  (  0.721,   0.661,   0.236)  ( 0.00,  0.00,  0.00)
163: 18       (-99.292, 244.321, -59.455)  (-99.240, 244.368, -59.409)  ( 0.05,  0.02,  0.08)
163:     bond    (-148.417, 167.758, -176.834)  (-148.375, 167.796, -176.797)  ( 0.03,  0.02,  0.02)
163:     angle   ( 42.680,  72.995, 119.661)  ( 42.689,  73.003, 119.671)  ( 0.02,  0.01,  0.01)
163:     torsion (  1.407,   0.167,   0.022)  (  1.407,   0.167,   0.022)  ( 0.02,  0.01,  0.00)
163:     vdw     (  5.038,   3.401,  -2.304)  (  5.038,   3.402,  -2.304)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 19       ( 96.583, -100.565, -112.965)  ( 96.632, -100.532, -112.872)  ( 0.05,  0.03,  0.08)
163:     bond    ( 89.102, -72.229, -82.360)  ( 89.141, -72.204, -82.278)  ( 0.04,  0.03,  0.10)
163:     angle   (  6.652, -35.001, -29.477)  (  6.660, -34.996, -29.466)  ( 0.12,  0.02,  0.04)
163:     torsion ( -3.870,  -4.736,  -0.148)  ( -3.869,  -4.735,  -0.147)  ( 0.03,  0.03,  0.00)
163:     vdw     (  4.700,  11.402,  -0.981)  (  4.700,  11.402,  -0.981)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       (-96.914, -186.470, -88.497)  (-96.882, -186.398, -88.448)  ( 0.03,  0.04,  0.06)
163:     bond    (-78.790, -177.103, -33.032)  (-78.764, -177.044, -32.992)  ( 0.03,  0.03,  0.12)
163:     angle   (-37.779,  -5.578, -57.772)  (-37.775,  -5.566, -57.764)  ( 0.01,  0.22,  0.01)
163:     torsion (  3.007,  -1.147,  -2.059)  (  3.009,  -1.147,  -2.058)  ( 0.05,  0.02,  0.03)
163:     vdw     ( 16.394,  -2.558,   3.543)  ( 16.395,  -2.558,   3.543)  ( 0.00,  0.01,  0.00)
163:     electro (  0.254,  -0.083,   0.823)  (  0.254,  -0.083,   0.823)  ( 0.00,  0.00,  0.00)
163: 21       ( 18.115, -22.004,  18.288)  ( 18.119, -22.001,  18.316)  ( 0.02,  0.02,  0.15)
163:     bond    (  2.140,   2.802,  20.123)  (  2.140,   2.803,  20.150)  ( 0.01,  0.02,  0.13)
163:     angle   ( 15.176, -39.573,   3.891)  ( 15.179, -39.570,   3.891)  ( 0.02,  0.01,  0.00)
163:     torsion (  0.307,  -0.893,   0.092)  (  0.307,  -0.893,   0.092)  ( 0.00,  0.01,  0.00)
163:     vdw     (  0.491,  15.659,  -5.817)  (  0.492,  15.659,  -5.817)  ( 0.04,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 22       (-42.548,  36.110, 101.283)  (-42.494,  36.142, 101.373)  ( 0.13,  0.09,  0.09)
163:     bond    (-23.994,  20.120, 152.420)  (-23.949,  20.145, 152.498)  ( 0.19,  0.13,  0.05)
163:     angle   (-15.950,  11.852, -46.633)  (-15.942,  11.857, -46.621)  ( 0.05,  0.04,  0.03)
163:     torsion (  1.770,   2.186,  -0.008)  (  1.771,   2.188,  -0.008)  ( 0.06,  0.09,  0.00)
163:     vdw     ( -4.798,   2.484,  -4.355)  ( -4.798,   2.484,  -4.355)  ( 0.00,  0.00,  0.00)
163:     electro (  0.424,  -0.532,  -0.141)  (  0.424,  -0.532,  -0.141)  ( 0.00,  0.00,  0.00)
163: 23       (-43.446,  32.619, -30.428)  (-43.381,  32.658, -30.357)  ( 0.15,  0.12,  0.24)
163:     bond    (-51.035,  39.009, -46.081)  (-50.979,  39.040, -46.022)  ( 0.11,  0.08,  0.13)
163:     angle   (  8.095,  -5.547,  21.069)  (  8.103,  -5.543,  21.081)  ( 0.10,  0.08,  0.06)
163:     torsion ( -0.540,  -0.735,   0.027)  ( -0.538,  -0.733,   0.027)  ( 0.06,  0.15,  0.00)
163:     vdw     ( -0.067,  -0.023,  -5.994)  ( -0.067,  -0.023,  -5.994)  ( 0.00,  0.00,  0.00)
163:     electro (  0.101,  -0.083,   0.550)  (  0.101,  -0.083,   0.550)  ( 0.00,  0.00,  0.00)
163: 24       ( 43.655, -32.377,  -0.397)  ( 43.704, -32.347,  -0.301)  ( 0.11,  0.09,  3.82)
163:     bond    ( 53.195, -40.302,   1.077)  ( 53.234, -40.280,   1.160)  ( 0.07,  0.06,  7.75)
163:     angle   (-12.815,   9.925,   0.448)  (-12.807,   9.930,   0.461)  ( 0.06,  0.05,  0.56)
163:     torsion (  0.338,   0.422,   0.009)  (  0.339,   0.424,   0.009)  ( 0.04,  0.09,  0.00)
163:     vdw     (  3.486,  -2.810,  -1.722)  (  3.486,  -2.810,  -1.722)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.549,   0.389,  -0.208)  ( -0.549,   0.389,  -0.208)  ( 0.00,  0.00,  0.00)
163: 25       (-32.886,  25.469,  21.497)  (-32.834,  25.503,  21.587)  ( 0.16,  0.13,  0.42)
163:     bond    (-40.084,  29.921,  66.737)  (-40.040,  29.947,  66.813)  ( 0.11,  0.09,  0.12)
163:     angle   (  3.923,  -1.226, -49.132)  (  3.931,  -1.221, -49.119)  ( 0.20,  0.39,  0.03)
163:     torsion ( -0.183,  -0.218,   0.004)  ( -0.181,  -0.216,   0.004)  ( 0.02,  0.04,  0.00)
163:     vdw     (  3.666,  -3.125,   4.567)  (  3.666,  -3.124,   4.567)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.209,   0.118,  -0.679)  ( -0.209,   0.118,  -0.679)  ( 0.00,  0.00,  0.00)
163: 26       ( 19.751, -10.864, -138.067)  ( 19.814, -10.825, -138.002)  ( 0.32,  0.36,  0.05)
163:     bond    (-33.426,  30.737, -202.437)  (-33.371,  30.770, -202.385)  ( 0.16,  0.11,  0.03)
163:     angle   ( 51.930, -40.568,  58.813)  ( 51.936, -40.564,  58.827)  ( 0.01,  0.01,  0.02)
163:     torsion ( -0.221,  -0.407,  -0.147)  ( -0.220,  -0.405,  -0.147)  ( 0.02,  0.06,  0.00)
163:     vdw     (  1.469,  -0.626,   5.704)  (  1.469,  -0.626,   5.704)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 27       (  9.878,  -7.268,  34.221)  (  9.891,  -7.260,  34.237)  ( 0.13,  0.10,  0.04)
163:     bond    ( 18.852, -13.640,  19.276)  ( 18.863, -13.634,  19.287)  ( 0.06,  0.04,  0.06)
163:     angle   (-12.238,   9.361,  18.582)  (-12.237,   9.362,  18.585)  ( 0.01,  0.01,  0.02)
163:     torsion (  2.363,   3.195,  -0.052)  (  2.363,   3.196,  -0.052)  ( 0.01,  0.02,  0.00)
163:     vdw     (  1.457,  -6.242,  -3.795)  (  1.457,  -6.241,  -3.795)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.556,   0.058,   0.211)  ( -0.556,   0.058,   0.211)  ( 0.00,  0.00,  0.00)
163: 28       (-17.475,  14.834,  -2.649)  (-17.462,  14.842,  -2.635)  ( 0.07,  0.06,  0.54)
163:     bond    (-13.747,  11.035, -13.443)  (-13.735,  11.043, -13.432)  ( 0.08,  0.07,  0.08)
163:     angle   ( -5.564,   4.176,   9.118)  ( -5.562,   4.176,   9.121)  ( 0.02,  0.02,  0.04)
163:     torsion (  0.531,   0.676,   0.013)  (  0.531,   0.676,   0.013)  ( 0.02,  0.03,  0.00)
163:     vdw     (  1.658,  -1.338,   0.526)  (  1.658,  -1.338,   0.526)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.354,   0.285,   1.137)  ( -0.354,   0.285,   1.137)  ( 0.00,  0.00,  0.00)
163: 29       (-40.695,  27.606,  93.442)  (-40.693,  27.608,  93.464)  ( 0.01,  0.01,  0.02)
163:     bond    ( -7.021,   2.002,  89.351)  ( -7.022,   2.002,  89.373)  ( 0.00,  0.01,  0.02)
163:     angle   (-45.674,  35.582,  -4.385)  (-45.672,  35.584,  -4.385)  ( 0.00,  0.00,  0.00)
163:     torsion (  1.551,   2.029,   0.076)  (  1.551,   2.029,   0.076)  ( 0.01,  0.01,  0.00)
163:     vdw     ( 10.450, -12.007,   8.400)  ( 10.450, -12.007,   8.400)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 30       ( -0.829,  -1.200,  15.993)  ( -0.825,  -1.197,  16.022)  ( 0.36,  0.23,  0.18)
163:     bond    ( -2.181,   1.471,  19.357)  ( -2.181,   1.472,  19.386)  ( 0.02,  0.02,  0.15)
163:     angle   (  1.519,  -1.155,   0.259)  (  1.522,  -1.153,   0.259)  ( 0.23,  0.17,  0.00)
163:     torsion ( -0.839,  -1.115,  -0.010)  ( -0.839,  -1.115,  -0.010)  ( 0.02,  0.04,  0.00)
163:     vdw     (  0.546,  -0.339,  -2.337)  (  0.546,  -0.339,  -2.337)  ( 0.00,  0.00,  0.00)
163:     electro (  0.126,  -0.061,  -1.275)  (  0.126,  -0.061,  -1.275)  ( 0.00,  0.00,  0.00)
163: 31       (-11.407,   8.124,   5.758)  (-11.390,   8.134,   5.767)  ( 0.15,  0.12,  0.16)
163:     bond    (-13.844,  10.469,   7.022)  (-13.828,  10.478,   7.026)  ( 0.11,  0.09,  0.06)
163:     angle   (  0.011,  -0.028,   0.060)  (  0.012,  -0.028,   0.065)  ( 0.00,  0.00,  0.03)
163:     torsion ( -0.265,  -0.344,  -0.009)  ( -0.264,  -0.343,  -0.009)  ( 0.01,  0.02,  0.00)
163:     vdw     (  1.683,  -1.247,  -1.020)  (  1.683,  -1.247,  -1.020)  ( 0.00,  0.00,  0.01)
163:     electro (  1.008,  -0.726,  -0.295)  (  1.008,  -0.726,  -0.295)  ( 0.00,  0.00,  0.00)
163: 32       (-52.345, -67.440, -40.041)  (-52.327, -67.403, -40.025)  ( 0.03,  0.06,  0.04)
163:     bond    (-50.873, -72.955, -43.899)  (-50.855, -72.919, -43.886)  ( 0.03,  0.05,  0.03)
163:     angle   ( -1.963,   5.893,  -7.524)  ( -1.963,   5.895,  -7.521)  ( 0.00,  0.03,  0.04)
163:     torsion ( -4.234,   1.481,   2.446)  ( -4.234,   1.481,   2.446)  ( 0.01,  0.00,  0.00)
163:     vdw     (  4.991,  -2.441,   9.032)  (  4.992,  -2.441,   9.032)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.266,   0.581,  -0.096)  ( -0.266,   0.581,  -0.096)  ( 0.00,  0.00,  0.00)
163: 33       ( 60.735, -72.826, 144.796)  ( 60.747, -72.793, 144.826)  ( 0.02,  0.05,  0.02)
164:     strbnd  ( -0.325,   0.488,   0.279)  ( -0.325,   0.488,   0.279)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.294,   0.792,   0.827)  (  1.294,   0.792,   0.827)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.153,  -3.573,  -1.933)  ( -0.153,  -3.573,  -1.933)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 63       ( -0.297,   0.195,   0.097)  ( -0.296,   0.196,   0.100)  ( 0.03,  0.01,  0.03)
164:     bond    (  0.610,   0.315,   1.633)  (  0.610,   0.315,   1.636)  ( 0.02,  0.00,  0.18)
164:     angle   ( -1.418,   1.386,   0.261)  ( -1.418,   1.387,   0.261)  ( 0.03,  0.03,  0.00)
164:     strbnd  ( -0.282,   0.382,   0.365)  ( -0.282,   0.382,   0.365)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.426,   0.990,  -0.350)  (  0.426,   0.990,  -0.350)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.367,  -2.878,  -1.812)  (  0.367,  -2.878,  -1.812)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 64       (  5.704,  -0.249,   0.138)  (  5.704,  -0.244,   0.139)  ( 0.00,  0.13,  0.01)
164:     bond    (  0.052,   0.524,  -0.141)  (  0.052,   0.529,  -0.141)  ( 0.00,  0.27,  0.01)
164:     angle   (  0.150,  -0.836,  -3.088)  (  0.150,  -0.836,  -3.088)  ( 0.00,  0.00,  0.02)
164:     strbnd  ( -0.049,  -0.575,   0.050)  ( -0.049,  -0.575,   0.050)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.430,  -0.034,   0.030)  (  0.430,  -0.034,   0.030)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.052,   1.173,   1.899)  (  0.052,   1.173,   1.900)  ( 0.00,  0.00,  0.00)
164:     electro (  5.069,  -0.500,   1.387)  (  5.069,  -0.500,   1.387)  ( 0.00,  0.00,  0.00)
164: 65       ( -0.114,   0.570,  -0.149)  ( -0.109,   0.571,  -0.148)  ( 0.06,  0.02,  0.01)
164:     bond    (-17.085,  -2.760,   0.383)  (-17.080,  -2.760,   0.384)  ( 0.03,  0.01,  0.00)
164:     angle   (  0.082,  -0.169,   2.424)  (  0.082,  -0.169,   2.425)  ( 0.00,  0.00,  0.02)
164:     strbnd  (  0.390,   0.135,  -0.958)  (  0.390,   0.135,  -0.958)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.084,   0.524,   0.039)  ( -0.084,   0.524,   0.039)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.216,   1.133,   7.265)  ( -1.216,   1.133,   7.265)  ( 0.00,  0.00,  0.00)
164:     electro ( 17.799,   1.709,  -9.304)  ( 17.799,   1.709,  -9.304)  ( 0.00,  0.00,  0.00)
164: ok 14 # gradients 
164: ok 15 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
164:  1       ( -1.689,  29.086,  12.210)  ( -1.711,  29.002,  12.363)  ( 1.27,  0.29,  1.25)
164:     bond    (-17.707,   8.335,   2.191)  (-17.700,   8.340,   2.193)  ( 0.04,  0.06,  0.09)
164:     angle   ( 17.323,  25.618,  18.944)  ( 17.325,  25.620,  18.945)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -1.493,  -7.945,  -5.133)  ( -1.494,  -7.946,  -5.134)  ( 0.06,  0.01,  0.00)
164:     torsion (  0.601,   2.014,  -3.362)  (  0.601,   2.014,  -3.362)  ( 0.00,  0.01,  0.02)
164:     oop     (  0.117,   0.376,  -0.635)  (  0.088,   0.286,  -0.485)  ( 0.35,  3.38,  9.52)
164:     vdw     ( -0.601,  -0.190,  -0.199)  ( -0.601,  -0.190,  -0.199)  ( 0.00,  0.00,  0.00)
164:     electro (  0.071,   0.878,   0.403)  (  0.071,   0.878,   0.403)  ( 0.00,  0.00,  0.00)
164:  2       (-43.130,  -3.367,  -5.439)  (-43.097,  -3.287,  -5.559)  ( 0.08,  2.36,  2.20)
164:     bond    (-26.717,  -2.707,  -7.585)  (-26.711,  -2.702,  -7.583)  ( 0.02,  0.19,  0.02)
164:     angle   (-14.462,  -4.144,  -5.035)  (-14.460,  -4.143,  -5.035)  ( 0.01,  0.04,  0.01)
164:     strbnd  (  0.308,   7.811,   4.693)  (  0.308,   7.811,   4.693)  ( 0.01,  0.01,  0.01)
164:     torsion ( -0.735,  -2.026,   3.413)  ( -0.735,  -2.026,   3.414)  ( 0.00,  0.02,  0.03)
164:     oop     ( -0.154,  -0.448,   0.744)  ( -0.128,  -0.375,   0.621)  ( 0.40,  3.28,  9.11)
164:     vdw     ( -1.663,  -1.307,  -1.215)  ( -1.663,  -1.307,  -1.215)  ( 0.00,  0.00,  0.00)
164:     electro (  0.292,  -0.546,  -0.454)  (  0.292,  -0.546,  -0.454)  ( 0.00,  0.00,  0.00)
164:  3       ( 26.796,  24.803,  13.755)  ( 26.767,  24.702,  13.933)  ( 0.11,  0.40,  1.30)
164:     bond    ( 32.244,   7.181,  11.384)  ( 32.249,   7.186,  11.386)  ( 0.02,  0.06,  0.02)
164:     angle   ( -9.397,   6.895,   4.311)  ( -9.395,   6.897,   4.311)  ( 0.02,  0.02,  0.02)
164:     strbnd  (  5.047,   6.760,   5.135)  (  5.046,   6.759,   5.135)  ( 0.01,  0.01,  0.00)
164:     torsion (  1.173,   3.527,  -5.707)  (  1.173,   3.527,  -5.706)  ( 0.00,  0.01,  0.01)
164:     oop     (  0.194,   0.561,  -0.910)  (  0.158,   0.454,  -0.735)  ( 0.69,  5.96, 15.93)
164:     vdw     ( -2.822,   0.795,   0.719)  ( -2.822,   0.795,   0.719)  ( 0.00,  0.00,  0.00)
164:     electro (  0.358,  -0.916,  -1.176)  (  0.358,  -0.916,  -1.176)  ( 0.00,  0.00,  0.00)
164:  4       ( 30.208,   3.073,   6.213)  ( 30.219,   3.104,   6.463)  ( 0.04,  1.02,  4.03)
164:     bond    ( 44.923,   3.054,  10.850)  ( 44.929,   3.058,  10.852)  ( 0.01,  0.15,  0.02)
164:     angle   (-11.137,   3.853,   1.631)  (-11.135,   3.855,   1.632)  ( 0.02,  0.05,  0.04)
164:     strbnd  ( -0.803,  -4.122,  -2.305)  ( -0.804,  -4.123,  -2.306)  ( 0.08,  0.01,  0.01)
164:     torsion ( -0.049,  -0.229,  -1.535)  ( -0.049,  -0.229,  -1.535)  ( 0.00,  0.01,  0.05)
164:     oop     ( -0.023,  -0.118,  -0.821)  ( -0.020,  -0.093,  -0.574)  ( 0.01,  0.29, 20.32)
164:     vdw     ( -2.511,   0.309,  -1.489)  ( -2.511,   0.309,  -1.489)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.191,   0.327,  -0.117)  ( -0.191,   0.327,  -0.117)  ( 0.00,  0.00,  0.00)
164:  5       ( -7.948, -76.115, -41.479)  ( -7.959, -76.157, -41.393)  ( 0.13,  0.05,  0.21)
164:     bond    (  8.045, -42.089, -24.804)  (  8.052, -42.083, -24.802)  ( 0.09,  0.01,  0.01)
164:     angle   (-16.828, -30.092, -21.409)  (-16.826, -30.090, -21.409)  ( 0.01,  0.01,  0.00)
164:     strbnd  (  5.512,  -1.560,   0.571)  (  5.511,  -1.560,   0.570)  ( 0.02,  0.01,  0.01)
164:     torsion ( -1.167,  -3.866,   6.122)  ( -1.167,  -3.866,   6.123)  ( 0.00,  0.01,  0.01)
164:     oop     (  0.067,   0.201,  -0.328)  (  0.049,   0.152,  -0.246)  ( 0.12,  0.98,  2.70)
164:     vdw     ( -3.591,   1.489,  -1.515)  ( -3.591,   1.489,  -1.515)  ( 0.00,  0.00,  0.00)
164:     electro (  0.014,  -0.198,  -0.115)  (  0.014,  -0.198,  -0.115)  ( 0.00,  0.00,  0.00)
164:  6       (-30.115,  -5.188,  10.096)  (-30.111,  -5.194,   9.573)  ( 0.01,  0.12,  5.18)
164:     bond    (-46.066,  -5.896,   0.687)  (-46.059,  -5.889,   0.688)  ( 0.01,  0.11,  0.01)
164:     angle   ( 11.582,  -5.904,   1.352)  ( 11.584,  -5.902,   1.352)  ( 0.02,  0.04,  0.01)
164:     strbnd  (  1.321,   5.298,   0.111)  (  1.319,   5.297,   0.111)  ( 0.08,  0.01,  0.00)
164:     torsion (  0.044,   1.140,   6.540)  (  0.044,   1.140,   6.541)  ( 0.00,  0.01,  0.02)
164:     oop     ( -0.012,   0.131,   2.561)  ( -0.015,   0.116,   2.037)  ( 0.00,  0.19, 20.47)
164:     vdw     (  2.802,   0.309,  -0.945)  (  2.802,   0.309,  -0.945)  ( 0.00,  0.00,  0.00)
164:     electro (  0.213,  -0.266,  -0.210)  (  0.213,  -0.266,  -0.210)  ( 0.00,  0.00,  0.00)
164:  7       ( 12.679,  86.994, -19.032)  ( 12.700,  86.952, -19.301)  ( 0.17,  0.05,  1.42)
164:     bond    ( -5.030,  48.598,  -6.009)  ( -5.023,  48.605,  -6.009)  ( 0.14,  0.01,  0.00)
164:     angle   ( 20.610,  38.351,  -5.278)  ( 20.612,  38.353,  -5.277)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -7.020,   1.621,  -1.168)  ( -7.021,   1.621,  -1.168)  ( 0.02,  0.02,  0.01)
164:     torsion (  0.098,  -1.110,  -6.501)  (  0.098,  -1.110,  -6.500)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.002,   0.211,   1.179)  (  0.015,   0.160,   0.909)  ( 0.00,  1.08, 22.95)
164:     vdw     (  4.021,  -0.905,  -1.238)  (  4.021,  -0.905,  -1.238)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.002,   0.227,  -0.017)  ( -0.002,   0.227,  -0.017)  ( 0.00,  0.00,  0.00)
164:  8       ( -0.374, -32.479,   6.496)  ( -0.364, -32.472,   6.450)  ( 0.39,  0.02,  0.71)
164:     bond    ( 17.320,  -9.193,   0.193)  ( 17.327,  -9.187,   0.193)  ( 0.04,  0.07,  0.00)
164:     angle   (-21.343, -31.556,   3.930)  (-21.342, -31.553,   3.930)  ( 0.01,  0.01,  0.00)
164:     strbnd  (  3.117,   8.773,  -0.540)  (  3.116,   8.771,  -0.540)  ( 0.03,  0.01,  0.00)
164:     torsion (  0.062,   0.254,   3.026)  (  0.062,   0.254,   3.027)  ( 0.00,  0.00,  0.04)
164:     oop     ( -0.019,  -0.027,  -0.085)  ( -0.016,  -0.028,  -0.132)  ( 0.00,  0.00,  0.40)
164:     vdw     (  0.599,   0.238,  -0.003)  (  0.599,   0.238,  -0.003)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.111,  -0.968,  -0.025)  ( -0.111,  -0.968,  -0.025)  ( 0.00,  0.00,  0.00)
164:  9       ( 44.803,   3.914,   2.819)  ( 44.806,   3.913,   2.731)  ( 0.01,  0.03,  3.12)
164:     bond    ( 27.504,   4.642,  -1.536)  ( 27.511,   4.648,  -1.536)  ( 0.02,  0.14,  0.00)
164:     angle   ( 15.991,   5.308,  -0.805)  ( 15.993,   5.309,  -0.804)  ( 0.01,  0.04,  0.01)
164:     strbnd  ( -0.547,  -8.870,   0.817)  ( -0.547,  -8.870,   0.817)  ( 0.03,  0.01,  0.00)
164:     torsion (  0.167,   0.437,   4.249)  (  0.167,   0.437,   4.250)  ( 0.00,  0.00,  0.03)
164:     oop     (  0.027,   0.073,   0.647)  (  0.022,   0.064,   0.558)  ( 0.01,  0.07,  5.77)
164:     vdw     (  1.899,   1.622,  -0.325)  (  1.899,   1.622,  -0.325)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.238,   0.703,  -0.227)  ( -0.238,   0.703,  -0.227)  ( 0.00,  0.00,  0.00)
164: 10       (-30.928, -25.769,  -2.929)  (-30.914, -25.703,  -2.397)  ( 0.04,  0.25, 18.16)
164:     bond    (-33.338, -10.219,   2.044)  (-33.333, -10.213,   2.044)  ( 0.02,  0.06,  0.00)
164:     angle   (  5.728,  -6.663,   4.844)  (  5.730,  -6.662,   4.844)  ( 0.04,  0.03,  0.01)
164:     strbnd  ( -5.454,  -7.832,   0.921)  ( -5.455,  -7.833,   0.921)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.215,  -0.970,  -8.075)  ( -0.215,  -0.970,  -8.074)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.036,  -0.302,  -2.716)  ( -0.029,  -0.244,  -2.185)  ( 0.02,  1.75, 19.54)
164:     vdw     (  2.593,  -1.118,   0.786)  (  2.593,  -1.118,   0.786)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.206,   1.335,  -0.734)  ( -0.206,   1.335,  -0.734)  ( 0.00,  0.00,  0.00)
164: 11       (-26.673, -22.301,   4.179)  (-26.670, -22.313,   4.011)  ( 0.01,  0.05,  4.01)
164:     bond    ( -1.917,  -0.727,  -0.074)  ( -1.913,  -0.722,  -0.070)  ( 0.20,  0.32,  0.03)
164:     angle   (-29.136, -26.052,   2.735)  (-29.134, -26.050,   2.736)  ( 0.01,  0.01,  0.05)
164:     strbnd  (  4.010,   7.688,  -1.200)  (  4.009,   7.687,  -1.200)  ( 0.01,  0.02,  0.04)
164:     torsion (  0.015,   0.059,   0.642)  (  0.015,   0.059,   0.642)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.009,   0.064,   0.656)  (  0.007,   0.046,   0.483)  ( 0.00,  0.11, 11.35)
164:     vdw     (  0.354,  -2.969,   0.608)  (  0.354,  -2.969,   0.608)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.008,  -0.365,   0.812)  ( -0.008,  -0.365,   0.812)  ( 0.00,  0.00,  0.00)
164: 12       ( -2.353,   3.616,  -2.204)  ( -2.349,   3.623,  -2.134)  ( 0.16,  0.19,  3.21)
164:     bond    ( -1.203,  -0.681,   0.064)  ( -1.200,  -0.680,   0.064)  ( 0.25,  0.07,  0.00)
164:     angle   ( -3.337,   5.858,  -0.289)  ( -3.337,   5.858,  -0.289)  ( 0.00,  0.01,  0.00)
164:     strbnd  (  0.884,  -1.534,   0.070)  (  0.884,  -1.534,   0.070)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.026,  -0.127,  -1.856)  ( -0.026,  -0.127,  -1.856)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.003,  -0.017,  -0.242)  ( -0.002,  -0.012,  -0.171)  ( 0.00,  0.01,  1.70)
164:     vdw     (  0.644,   0.265,  -0.021)  (  0.644,   0.265,  -0.021)  ( 0.00,  0.00,  0.00)
164:     electro (  0.688,  -0.147,   0.070)  (  0.688,  -0.147,   0.070)  ( 0.00,  0.00,  0.00)
164: 13       ( -2.636,  -4.315,  -0.527)  ( -2.633,  -4.310,  -0.502)  ( 0.12,  0.11,  1.28)
164:     bond    ( -1.376,   1.267,  -0.103)  ( -1.374,   1.269,  -0.103)  ( 0.15,  0.14,  0.00)
164:     angle   ( -4.815,  -5.170,   0.545)  ( -4.815,  -5.170,   0.545)  ( 0.01,  0.01,  0.00)
164:     strbnd  (  1.880,   0.883,  -0.174)  (  1.880,   0.883,  -0.174)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.019,  -0.089,  -0.837)  ( -0.019,  -0.089,  -0.837)  ( 0.00,  0.00,  0.03)
164:     oop     ( -0.002,  -0.010,  -0.098)  ( -0.002,  -0.008,  -0.074)  ( 0.00,  0.00,  0.23)
164:     vdw     (  1.159,  -0.292,  -0.017)  (  1.159,  -0.292,  -0.017)  ( 0.00,  0.00,  0.00)
164:     electro (  0.537,  -0.904,   0.158)  (  0.537,  -0.904,   0.158)  ( 0.00,  0.00,  0.00)
164: 14       ( 26.387,  19.947,  15.099)  ( 26.412,  20.010,  15.009)  ( 0.09,  0.32,  0.60)
164:     bond    (  2.000,   0.807,   0.393)  (  2.004,   0.812,   0.397)  ( 0.19,  0.36,  0.17)
164:     angle   ( 29.017,  24.625,  15.667)  ( 29.019,  24.627,  15.669)  ( 0.01,  0.01,  0.01)
164:     strbnd  ( -3.684,  -7.464,  -4.429)  ( -3.685,  -7.465,  -4.430)  ( 0.02,  0.01,  0.02)
164:     torsion ( -0.089,  -0.284,   0.463)  ( -0.089,  -0.284,   0.463)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.074,  -0.220,   0.362)  ( -0.055,  -0.162,   0.267)  ( 0.14,  1.28,  3.46)
164:     vdw     ( -0.663,   2.502,   1.775)  ( -0.663,   2.502,   1.775)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.120,  -0.020,   0.867)  ( -0.120,  -0.020,   0.867)  ( 0.00,  0.00,  0.00)
164: 15       (  2.734,  -4.218,  -1.241)  (  2.755,  -4.158,  -1.336)  ( 0.79,  1.41,  7.69)
164:     bond    (  1.169,   0.545,   0.557)  (  1.172,   0.545,   0.558)  ( 0.23,  0.03,  0.03)
164:     angle   (  3.953,  -5.603,  -2.827)  (  3.953,  -5.602,  -2.827)  ( 0.00,  0.01,  0.00)
164:     strbnd  ( -0.998,   1.310,   0.666)  ( -0.998,   1.310,   0.666)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.049,  -0.169,   0.268)  ( -0.049,  -0.169,   0.269)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.064,  -0.204,   0.334)  ( -0.045,  -0.145,   0.237)  ( 0.12,  1.19,  3.22)
164:     vdw     ( -0.604,  -0.224,  -0.242)  ( -0.604,  -0.224,  -0.242)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.672,   0.127,   0.003)  ( -0.672,   0.127,   0.003)  ( 0.00,  0.00,  0.00)
164: 16       (  2.391,   3.742,   2.202)  (  2.389,   3.731,   2.224)  ( 0.08,  0.30,  0.99)
164:     bond    (  1.377,  -1.119,  -0.400)  (  1.379,  -1.118,  -0.400)  ( 0.16,  0.13,  0.01)
164:     angle   (  4.447,   4.280,   3.375)  (  4.447,   4.280,   3.375)  ( 0.01,  0.01,  0.01)
164:     strbnd  ( -1.774,  -0.686,  -0.825)  ( -1.774,  -0.686,  -0.825)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.054,   0.148,  -0.229)  (  0.054,   0.148,  -0.229)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.018,   0.053,  -0.087)  (  0.013,   0.040,  -0.065)  ( 0.01,  0.07,  0.18)
164:     vdw     ( -1.150,   0.297,  -0.072)  ( -1.149,   0.297,  -0.072)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.582,   0.770,   0.440)  ( -0.582,   0.770,   0.440)  ( 0.00,  0.00,  0.00)
164: 17       ( 12.700,  29.735,  18.160)  ( 12.714,  29.776,  18.099)  ( 0.11,  0.14,  0.34)
164:     bond    ( -3.169,  26.110,  15.008)  ( -3.169,  26.113,  15.009)  ( 0.01,  0.01,  0.01)
164:     angle   ( 14.067,   0.347,   2.366)  ( 14.068,   0.347,   2.366)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( -0.226,   2.694,   1.435)  ( -0.226,   2.694,   1.435)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.187,   0.538,  -0.897)  (  0.187,   0.538,  -0.897)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.055,  -0.172,   0.287)  ( -0.042,  -0.134,   0.224)  ( 0.07,  0.65,  1.81)
164:     vdw     ( -0.563,  -0.467,  -0.562)  ( -0.563,  -0.467,  -0.562)  ( 0.00,  0.00,  0.00)
164:     electro (  2.460,   0.686,   0.523)  (  2.460,   0.686,   0.523)  ( 0.00,  0.00,  0.00)
164: 18       (-16.599, -32.980,  10.375)  (-16.606, -32.943,  10.559)  ( 0.04,  0.11,  1.78)
164:     bond    (  1.321, -29.709,   5.246)  (  1.321, -29.705,   5.247)  ( 0.01,  0.01,  0.01)
164:     angle   (-16.050,  -0.489,   1.274)  (-16.050,  -0.489,   1.274)  ( 0.01,  0.00,  0.00)
164:     strbnd  (  0.072,  -3.233,   0.861)  (  0.072,  -3.233,   0.861)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.052,   0.751,   4.265)  ( -0.052,   0.751,   4.266)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.009,  -0.150,  -0.851)  (  0.001,  -0.118,  -0.667)  ( 0.01,  0.48, 15.66)
164:     vdw     (  0.603,   0.572,  -0.221)  (  0.603,   0.572,  -0.221)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.501,  -0.722,  -0.200)  ( -2.501,  -0.722,  -0.200)  ( 0.00,  0.00,  0.00)
164: 19       ( -9.549, -16.055,  -9.499)  ( -9.547, -16.054,  -9.498)  ( 0.02,  0.01,  0.01)
164:     bond    (  6.549,  -6.489,  -5.236)  (  6.550,  -6.488,  -5.235)  ( 0.02,  0.02,  0.02)
164:     angle   (-15.891, -11.333,  -5.837)  (-15.890, -11.333,  -5.837)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( -1.046,   0.503,   0.436)  ( -1.046,   0.503,   0.436)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.839,   1.264,   1.139)  (  0.839,   1.264,   1.139)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 20       ( -6.872,  -6.628,  -8.449)  ( -6.870,  -6.627,  -8.448)  ( 0.02,  0.01,  0.02)
164:     bond    ( -7.287,   3.445,  -8.054)  ( -7.286,   3.445,  -8.052)  ( 0.02,  0.01,  0.02)
164:     angle   ( -1.156, -10.327,  -3.372)  ( -1.156, -10.326,  -3.372)  ( 0.02,  0.01,  0.01)
164:     strbnd  (  1.415,  -1.060,   1.430)  (  1.415,  -1.060,   1.430)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.156,   1.313,   1.547)  (  0.156,   1.313,   1.547)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 21       ( -5.154, -11.419,  -3.897)  ( -5.153, -11.418,  -3.895)  ( 0.02,  0.01,  0.04)
164:     bond    ( -5.951,  -7.142,   6.246)  ( -5.950,  -7.141,   6.247)  ( 0.02,  0.02,  0.02)
164:     angle   ( -0.744,  -6.990,  -8.698)  ( -0.743,  -6.990,  -8.698)  ( 0.02,  0.00,  0.01)
164:     strbnd  (  1.377,   1.441,  -1.809)  (  1.377,   1.441,  -1.809)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.163,   1.273,   0.365)  (  0.163,   1.273,   0.365)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 22       (  6.707,  14.950,  -4.095)  (  6.709,  14.951,  -4.094)  ( 0.04,  0.00,  0.03)
164:     bond    ( 10.180,   0.038,  -5.182)  ( 10.183,   0.038,  -5.181)  ( 0.02,  0.00,  0.01)
164:     angle   ( -0.643,  16.864,  -1.139)  ( -0.642,  16.864,  -1.139)  ( 0.01,  0.00,  0.03)
164:     strbnd  ( -2.565,   0.430,   1.327)  ( -2.565,   0.430,   1.327)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.266,  -2.382,   0.899)  ( -0.266,  -2.382,   0.899)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 23       (  7.712,   7.044,   4.929)  (  7.712,   7.045,   4.931)  ( 0.01,  0.01,  0.05)
164:     bond    (  2.115,   4.636,   9.930)  (  2.115,   4.637,   9.932)  ( 0.01,  0.01,  0.02)
164:     angle   (  6.274,   3.725,  -3.075)  (  6.274,   3.725,  -3.075)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -0.199,  -0.342,  -1.642)  ( -0.199,  -0.342,  -1.642)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.477,  -0.975,  -0.284)  ( -0.477,  -0.975,  -0.284)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 24       ( 10.798,  13.827,  -7.791)  ( 10.799,  13.829,  -7.790)  ( 0.01,  0.01,  0.02)
164:     bond    ( -5.076,   7.231,  -5.839)  ( -5.075,   7.232,  -5.838)  ( 0.01,  0.02,  0.02)
164:     angle   ( 15.920,   8.574,  -3.218)  ( 15.920,   8.575,  -3.218)  ( 0.00,  0.00,  0.01)
164:     strbnd  (  0.876,  -0.556,   0.755)  (  0.876,  -0.556,   0.755)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.922,  -1.422,   0.511)  ( -0.922,  -1.422,   0.511)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: ok 16 # gradients 
164: ok 17 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
164:  1       ( 75.919,  23.900,  -8.357)  ( 75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
164:     bond    ( 43.256,   7.487, -14.578)  ( 43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
164:     angle   ( -0.077,   0.026,  -0.013)  ( -0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( 27.650,   7.696,  -4.671)  ( 27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
164:     torsion ( -0.018,   0.018,   0.030)  ( -0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.004,   0.006,   0.012)  ( -0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.113,   8.667,  10.865)  (  5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  2       ( -0.007,  70.694, -37.613)  (  0.000,  70.701, -37.611)  ( 0.00,  0.01,  0.01)
164:     bond    ( -0.003,  34.123, -31.161)  (  0.000,  34.128, -31.160)  ( 0.00,  0.01,  0.00)
164:     angle   ( -0.002,   0.021,  -0.051)  (  0.000,   0.022,  -0.051)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( -0.001,  24.741, -15.277)  (  0.000,  24.742, -15.276)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.007,  -0.022)  (  0.000,  -0.006,  -0.021)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.005,  -0.010)  (  0.000,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.000,  11.821,   8.908)  (  0.000,  11.821,   8.908)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  3       ( -0.007, -70.710, -37.613)  (  0.000, -70.701, -37.611)  ( 0.00,  0.01,  0.01)
164:     bond    ( -0.003, -34.133, -31.161)  (  0.000, -34.128, -31.160)  ( 0.00,  0.01,  0.00)
164:     angle   ( -0.002,  -0.024,  -0.051)  (  0.000,  -0.022,  -0.051)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( -0.001, -24.743, -15.277)  (  0.000, -24.742, -15.276)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,   0.006,  -0.022)  (  0.000,   0.006,  -0.021)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,   0.005,  -0.010)  (  0.000,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.000, -11.821,   8.908)  ( -0.000, -11.821,   8.908)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  4       ( 75.919, -23.913,  -8.357)  ( 75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
164:     bond    ( 43.256,  -7.494, -14.578)  ( 43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
164:     angle   ( -0.077,  -0.029,  -0.013)  ( -0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( 27.650,  -7.698,  -4.671)  ( 27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
164:     torsion ( -0.018,  -0.018,   0.030)  ( -0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.004,  -0.006,   0.012)  ( -0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.113,  -8.667,  10.865)  (  5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  5       (-38.554,  47.292, -52.215)  (-38.549,  47.297, -52.209)  ( 0.01,  0.01,  0.01)
164:     bond    (-12.136,  26.876, -35.755)  (-12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
164:     angle   ( -0.007,   0.078,   0.012)  ( -0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
164:     strbnd  (-12.414,  17.157, -20.001)  (-12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.017,   0.014,  -0.020)  (  0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.005,   0.002,  -0.006)  (  0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (-14.019,   3.164,   3.556)  (-14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  6       (-38.554, -47.306, -52.215)  (-38.549, -47.297, -52.209)  ( 0.01,  0.02,  0.01)
164:     bond    (-12.136, -26.884, -35.755)  (-12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
164:     angle   ( -0.007,  -0.081,   0.012)  ( -0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
164:     strbnd  (-12.414, -17.160, -20.001)  (-12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.017,  -0.014,  -0.020)  (  0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.005,  -0.002,  -0.006)  (  0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (-14.019,  -3.165,   3.556)  (-14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  7       (-75.934,  23.900,  -8.357)  (-75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
164:     bond    (-43.264,   7.487, -14.578)  (-43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
164:     angle   (  0.075,   0.026,  -0.013)  (  0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
164:     strbnd  (-27.652,   7.696,  -4.671)  (-27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
164:     torsion (  0.017,   0.018,   0.030)  (  0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.004,   0.006,   0.012)  (  0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.113,   8.667,  10.865)  ( -5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  8       (-75.934, -23.913,  -8.357)  (-75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
164:     bond    (-43.264,  -7.494, -14.578)  (-43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
164:     angle   (  0.075,  -0.029,  -0.013)  (  0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
164:     strbnd  (-27.652,  -7.698,  -4.671)  (-27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
164:     torsion (  0.017,  -0.018,   0.030)  (  0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.004,  -0.006,   0.012)  (  0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.113,  -8.667,  10.865)  ( -5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  9       ( 47.292,  52.205,  38.542)  ( 47.297,  52.209,  38.549)  ( 0.01,  0.01,  0.02)
164:     bond    ( 26.876,  35.751,  12.130)  ( 26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
164:     angle   (  0.078,  -0.014,   0.005)  (  0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( 17.157,  20.000,  12.412)  ( 17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
164:     torsion (  0.014,   0.019,  -0.017)  (  0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.002,   0.006,  -0.006)  (  0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.164,  -3.556,  14.019)  (  3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 10       (  8.348,  75.919,  23.900)  (  8.353,  75.928,  23.905)  ( 0.06,  0.01,  0.02)
164:     bond    ( 14.575,  43.256,   7.487)  ( 14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
164:     angle   (  0.011,  -0.077,   0.026)  (  0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
164:     strbnd  (  4.670,  27.650,   7.696)  (  4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.031,  -0.018,   0.018)  ( -0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.012,  -0.004,   0.006)  ( -0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (-10.865,   5.113,   8.667)  (-10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 11       (  8.348, -75.934,  23.900)  (  8.353, -75.928,  23.905)  ( 0.06,  0.01,  0.02)
164:     bond    ( 14.575, -43.264,   7.487)  ( 14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
164:     angle   (  0.011,   0.075,   0.026)  (  0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
164:     strbnd  (  4.670, -27.652,   7.696)  (  4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.031,   0.017,   0.018)  ( -0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.012,   0.004,   0.006)  ( -0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (-10.865,  -5.113,   8.667)  (-10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 12       ( 47.292, -52.215,  38.542)  ( 47.297, -52.209,  38.549)  ( 0.01,  0.01,  0.02)
164:     bond    ( 26.876, -35.755,  12.130)  ( 26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
164:     angle   (  0.078,   0.012,   0.005)  (  0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( 17.157, -20.001,  12.412)  ( 17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
164:     torsion (  0.014,  -0.020,  -0.017)  (  0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.002,  -0.006,  -0.006)  (  0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.164,   3.556,  14.019)  (  3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 13       ( 52.205, -38.554, -47.306)  ( 52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
164:     bond    ( 35.751, -12.136, -26.884)  ( 35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
164:     angle   ( -0.014,  -0.007,  -0.081)  ( -0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( 20.000, -12.414, -17.160)  ( 20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
164:     torsion (  0.019,   0.017,  -0.014)  (  0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.006,   0.005,  -0.002)  (  0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.556, -14.019,  -3.165)  ( -3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 14       (-23.913,   8.348, -75.934)  (-23.905,   8.353, -75.928)  ( 0.03,  0.06,  0.01)
164:     bond    ( -7.494,  14.575, -43.264)  ( -7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
164:     angle   ( -0.029,   0.011,   0.075)  ( -0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( -7.698,   4.670, -27.652)  ( -7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.018,  -0.031,   0.017)  ( -0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.006,  -0.012,   0.004)  ( -0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -8.667, -10.865,  -5.113)  ( -8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 15       ( 52.205, -38.554,  47.292)  ( 52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
164:     bond    ( 35.751, -12.136,  26.876)  ( 35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
164:     angle   ( -0.014,  -0.007,   0.078)  ( -0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( 20.000, -12.414,  17.157)  ( 20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
164:     torsion (  0.019,   0.017,   0.014)  (  0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.006,   0.005,   0.002)  (  0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.556, -14.019,   3.164)  ( -3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 16       (-70.710,  37.607,  -0.007)  (-70.701,  37.611,  -0.000)  ( 0.01,  0.01,  0.00)
164:     bond    (-34.133,  31.159,  -0.003)  (-34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
164:     angle   ( -0.024,   0.050,  -0.002)  ( -0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
164:     strbnd  (-24.743,  15.275,  -0.001)  (-24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.006,   0.020,  -0.000)  (  0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.005,   0.010,  -0.000)  (  0.005,   0.011,  -0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (-11.821,  -8.908,  -0.000)  (-11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 17       ( 38.542, -47.306, -52.215)  ( 38.549, -47.297, -52.209)  ( 0.02,  0.02,  0.01)
164:     bond    ( 12.130, -26.884, -35.755)  ( 12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
164:     angle   (  0.005,  -0.081,   0.012)  (  0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
164:     strbnd  ( 12.412, -17.160, -20.001)  ( 12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.017,  -0.014,  -0.020)  ( -0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.006,  -0.002,  -0.006)  ( -0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 14.019,  -3.165,   3.556)  ( 14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 18       (-47.306,  52.205,  38.542)  (-47.297,  52.209,  38.549)  ( 0.02,  0.01,  0.02)
164:     bond    (-26.884,  35.751,  12.130)  (-26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
164:     angle   ( -0.081,  -0.014,   0.005)  ( -0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
164:     strbnd  (-17.160,  20.000,  12.412)  (-17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.014,   0.019,  -0.017)  ( -0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.002,   0.006,  -0.006)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.165,  -3.556,  14.019)  ( -3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 19       (-23.913,   8.348,  75.919)  (-23.905,   8.353,  75.928)  ( 0.03,  0.06,  0.01)
164:     bond    ( -7.494,  14.575,  43.256)  ( -7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
164:     angle   ( -0.029,   0.011,  -0.077)  ( -0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( -7.698,   4.670,  27.650)  ( -7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.018,  -0.031,  -0.018)  ( -0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.006,  -0.012,  -0.004)  ( -0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -8.667, -10.865,   5.113)  ( -8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 20       ( 23.900,   8.348, -75.934)  ( 23.905,   8.353, -75.928)  ( 0.02,  0.06,  0.01)
164:     bond    (  7.487,  14.575, -43.264)  (  7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
164:     angle   (  0.026,   0.011,   0.075)  (  0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
164:     strbnd  (  7.696,   4.670, -27.652)  (  7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.018,  -0.031,   0.017)  (  0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.006,  -0.012,   0.004)  (  0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     (  8.667, -10.865,  -5.113)  (  8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 21       ( 38.542,  47.292, -52.215)  ( 38.549,  47.297, -52.209)  ( 0.02,  0.01,  0.01)
164:     bond    ( 12.130,  26.876, -35.755)  ( 12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
164:     angle   (  0.005,   0.078,   0.012)  (  0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
164:     strbnd  ( 12.412,  17.157, -20.001)  ( 12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.017,   0.014,  -0.020)  ( -0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.006,   0.002,  -0.006)  ( -0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 14.019,   3.164,   3.556)  ( 14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 22       ( 37.607,  -0.007,  70.694)  ( 37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
164:     bond    ( 31.159,  -0.003,  34.123)  ( 31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
164:     angle   (  0.050,  -0.002,   0.021)  (  0.051,   0.000,   0.022)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( 15.275,  -0.001,  24.741)  ( 15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.020,  -0.000,  -0.007)  (  0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.010,  -0.000,  -0.005)  (  0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -8.908,  -0.000,  11.821)  ( -8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 23       ( 52.205,  38.542, -47.306)  ( 52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
164:     bond    ( 35.751,  12.130, -26.884)  ( 35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
164:     angle   ( -0.014,   0.005,  -0.081)  ( -0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( 20.000,  12.412, -17.160)  ( 20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
164:     torsion (  0.019,  -0.017,  -0.014)  (  0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.006,  -0.006,  -0.002)  (  0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.556,  14.019,  -3.165)  ( -3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 24       ( -8.357, -75.934,  23.900)  ( -8.353, -75.928,  23.905)  ( 0.04,  0.01,  0.02)
164:     bond    (-14.578, -43.264,   7.487)  (-14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
164:     angle   ( -0.013,   0.075,   0.026)  ( -0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
164:     strbnd  ( -4.671, -27.652,   7.696)  ( -4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
164:     torsion (  0.030,   0.017,   0.018)  (  0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.012,   0.004,   0.006)  (  0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 10.865,  -5.113,   8.667)  ( 10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 25       (-23.913,  -8.357, -75.934)  (-23.905,  -8.353, -75.928)  ( 0.03,  0.04,  0.01)
164:     bond    ( -7.494, -14.578, -43.264)  ( -7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
164:     angle   ( -0.029,  -0.013,   0.075)  ( -0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( -7.698,  -4.671, -27.652)  ( -7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.018,   0.030,   0.017)  ( -0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.006,   0.012,   0.004)  ( -0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -8.667,  10.865,  -5.113)  ( -8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 26       (-47.306, -52.215,  38.542)  (-47.297, -52.209,  38.549)  ( 0.02,  0.01,  0.02)
164:     bond    (-26.884, -35.755,  12.130)  (-26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
164:     angle   ( -0.081,   0.012,   0.005)  ( -0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
164:     strbnd  (-17.160, -20.001,  12.412)  (-17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.014,  -0.020,  -0.017)  ( -0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.002,  -0.006,  -0.006)  ( -0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.165,   3.556,  14.019)  ( -3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 27       ( 52.205,  38.542,  47.292)  ( 52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
164:     bond    ( 35.751,  12.130,  26.876)  ( 35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
164:     angle   ( -0.014,   0.005,   0.078)  ( -0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( 20.000,  12.412,  17.157)  ( 20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
164:     torsion (  0.019,  -0.017,   0.014)  (  0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.006,  -0.006,   0.002)  (  0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.556,  14.019,   3.164)  ( -3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 28       (-70.710, -37.613,  -0.007)  (-70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
164:     bond    (-34.133, -31.161,  -0.003)  (-34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
164:     angle   ( -0.024,  -0.051,  -0.002)  ( -0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
164:     strbnd  (-24.743, -15.277,  -0.001)  (-24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.006,  -0.022,  -0.000)  (  0.006,  -0.021,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.005,  -0.010,  -0.000)  (  0.005,  -0.011,  -0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (-11.821,   8.908,  -0.000)  (-11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 29       ( 23.900,  -8.357, -75.934)  ( 23.905,  -8.353, -75.928)  ( 0.02,  0.04,  0.01)
164:     bond    (  7.487, -14.578, -43.264)  (  7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
164:     angle   (  0.026,  -0.013,   0.075)  (  0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
164:     strbnd  (  7.696,  -4.671, -27.652)  (  7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.018,   0.030,   0.017)  (  0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.006,   0.012,   0.004)  (  0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     (  8.667,  10.865,  -5.113)  (  8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 30       ( 70.694,  37.607,  -0.007)  ( 70.701,  37.611,   0.000)  ( 0.01,  0.01,  0.00)
164:     bond    ( 34.123,  31.159,  -0.003)  ( 34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
164:     angle   (  0.021,   0.050,  -0.002)  (  0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( 24.741,  15.275,  -0.001)  ( 24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.007,   0.020,  -0.000)  ( -0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.005,   0.010,  -0.000)  ( -0.005,   0.011,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 11.821,  -8.908,  -0.000)  ( 11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 31       ( 37.607,  -0.007, -70.710)  ( 37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
164:     bond    ( 31.159,  -0.003, -34.133)  ( 31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
164:     angle   (  0.050,  -0.002,  -0.024)  (  0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( 15.275,  -0.001, -24.743)  ( 15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.020,  -0.000,   0.006)  (  0.021,  -0.000,   0.006)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.010,  -0.000,   0.005)  (  0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -8.908,  -0.000, -11.821)  ( -8.908,   0.000, -11.821)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 32       ( -8.357,  75.919,  23.900)  ( -8.353,  75.928,  23.905)  ( 0.04,  0.01,  0.02)
164:     bond    (-14.578,  43.256,   7.487)  (-14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
164:     angle   ( -0.013,  -0.077,   0.026)  ( -0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
164:     strbnd  ( -4.671,  27.650,   7.696)  ( -4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
164:     torsion (  0.030,  -0.018,   0.018)  (  0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.012,  -0.004,   0.006)  (  0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 10.865,   5.113,   8.667)  ( 10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 33       (-23.913,  -8.357,  75.919)  (-23.905,  -8.353,  75.928)  ( 0.03,  0.04,  0.01)
164:     bond    ( -7.494, -14.578,  43.256)  ( -7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
164:     angle   ( -0.029,  -0.013,  -0.077)  ( -0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( -7.698,  -4.671,  27.650)  ( -7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.018,   0.030,  -0.018)  ( -0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.006,   0.012,  -0.004)  ( -0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -8.667,  10.865,   5.113)  ( -8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 34       ( 70.694, -37.613,  -0.007)  ( 70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
164:     bond    ( 34.123, -31.161,  -0.003)  ( 34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
164:     angle   (  0.021,  -0.051,  -0.002)  (  0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( 24.741, -15.277,  -0.001)  ( 24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.007,  -0.022,  -0.000)  ( -0.006,  -0.021,  -0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.005,  -0.010,  -0.000)  ( -0.005,  -0.011,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 11.821,   8.908,  -0.000)  ( 11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 35       (-52.215,  38.542, -47.306)  (-52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
164:     bond    (-35.755,  12.130, -26.884)  (-35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
164:     angle   (  0.012,   0.005,  -0.081)  (  0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
164:     strbnd  (-20.001,  12.412, -17.160)  (-20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
164:     torsion ( -0.020,  -0.017,  -0.014)  ( -0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.006,  -0.006,  -0.002)  ( -0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.556,  14.019,  -3.165)  (  3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 36       (-52.215,  38.542,  47.292)  (-52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
164:     bond    (-35.755,  12.130,  26.876)  (-35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
164:     angle   (  0.012,   0.005,   0.078)  (  0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
164:     strbnd  (-20.001,  12.412,  17.157)  (-20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
164:     torsion ( -0.020,  -0.017,   0.014)  ( -0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.006,  -0.006,   0.002)  ( -0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.556,  14.019,   3.164)  (  3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 37       (-37.613,  -0.007,  70.694)  (-37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
164:     bond    (-31.161,  -0.003,  34.123)  (-31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
164:     angle   ( -0.051,  -0.002,   0.021)  ( -0.051,  -0.000,   0.022)  ( 0.00,  0.00,  0.00)
164:     strbnd  (-15.277,  -0.001,  24.741)  (-15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.022,  -0.000,  -0.007)  ( -0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.010,  -0.000,  -0.005)  ( -0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (  8.908,  -0.000,  11.821)  (  8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 38       (-52.215, -38.554, -47.306)  (-52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
164:     bond    (-35.755, -12.136, -26.884)  (-35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
164:     angle   (  0.012,  -0.007,  -0.081)  (  0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
164:     strbnd  (-20.001, -12.414, -17.160)  (-20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
164:     torsion ( -0.020,   0.017,  -0.014)  ( -0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.006,   0.005,  -0.002)  ( -0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.556, -14.019,  -3.165)  (  3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 39       (-52.215, -38.554,  47.292)  (-52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
164:     bond    (-35.755, -12.136,  26.876)  (-35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
164:     angle   (  0.012,  -0.007,   0.078)  (  0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
164:     strbnd  (-20.001, -12.414,  17.157)  (-20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
164:     torsion ( -0.020,   0.017,   0.014)  ( -0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.006,   0.005,   0.002)  ( -0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.556, -14.019,   3.164)  (  3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 40       ( 23.900,  -8.357,  75.919)  ( 23.905,  -8.353,  75.928)  ( 0.02,  0.04,  0.01)
164:     bond    (  7.487, -14.578,  43.256)  (  7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
164:     angle   (  0.026,  -0.013,  -0.077)  (  0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
164:     strbnd  (  7.696,  -4.671,  27.650)  (  7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.018,   0.030,  -0.018)  (  0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.006,   0.012,  -0.004)  (  0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     (  8.667,  10.865,   5.113)  (  8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 41       (-54.913, -35.524, -24.139)  (-54.905, -35.518, -24.134)  ( 0.02,  0.02,  0.02)
164:     bond    (-26.884, -35.755, -12.136)  (-26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
164:     angle   (  8.310,   2.328,   1.428)  (  8.312,   2.330,   1.429)  ( 0.02,  0.05,  0.09)
164:     strbnd  (-33.157,  -3.794,  -2.400)  (-33.157,  -3.793,  -2.399)  ( 0.00,  0.02,  0.04)
164:     torsion ( -0.015,  -1.854,   2.983)  ( -0.015,  -1.853,   2.983)  ( 0.00,  0.03,  0.01)
164:     oop     ( -0.002,  -0.006,   0.005)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.165,   3.556, -14.019)  ( -3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 42       (  3.504,  53.443,  17.121)  (  3.509,  53.448,  17.126)  ( 0.15,  0.01,  0.02)
164:     bond    (-12.452,  26.530,  26.356)  (-12.448,  26.533,  26.357)  ( 0.04,  0.01,  0.01)
164:     angle   ( -9.977,  -5.385,  -2.072)  ( -9.975,  -5.383,  -2.071)  ( 0.02,  0.04,  0.05)
164:     strbnd  ( 29.601,  21.773,  10.437)  ( 29.601,  21.772,  10.438)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.442,   1.853,  -6.723)  (  1.442,   1.853,  -6.722)  ( 0.02,  0.02,  0.01)
164:     oop     (  0.004,   0.006,  -0.012)  (  0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.113,   8.667, -10.865)  ( -5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 43       ( 47.292, -52.215, -38.554)  ( 47.297, -52.209, -38.549)  ( 0.01,  0.01,  0.01)
164:     bond    ( 26.876, -35.755, -12.136)  ( 26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
164:     angle   (  0.078,   0.012,  -0.007)  (  0.079,   0.013,  -0.006)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( 17.157, -20.001, -12.414)  ( 17.159, -20.000, -12.413)  ( 0.01,  0.00,  0.01)
164:     torsion (  0.014,  -0.020,   0.017)  (  0.014,  -0.019,   0.017)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.002,  -0.006,   0.005)  (  0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.164,   3.556, -14.019)  (  3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 44       (  8.348,  75.919, -23.913)  (  8.353,  75.928, -23.905)  ( 0.06,  0.01,  0.03)
164:     bond    ( 14.575,  43.256,  -7.494)  ( 14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
164:     angle   (  0.011,  -0.077,  -0.029)  (  0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
164:     strbnd  (  4.670,  27.650,  -7.698)  (  4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.031,  -0.018,  -0.018)  ( -0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.012,  -0.004,  -0.006)  ( -0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (-10.865,   5.113,  -8.667)  (-10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 45       ( -8.357,  75.919, -23.913)  ( -8.353,  75.928, -23.905)  ( 0.04,  0.01,  0.03)
164:     bond    (-14.578,  43.256,  -7.494)  (-14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
164:     angle   ( -0.013,  -0.077,  -0.029)  ( -0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
164:     strbnd  ( -4.671,  27.650,  -7.698)  ( -4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
164:     torsion (  0.030,  -0.018,  -0.018)  (  0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.012,  -0.004,  -0.006)  (  0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 10.865,   5.113,  -8.667)  ( 10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 46       (  8.348, -75.934, -23.913)  (  8.353, -75.928, -23.905)  ( 0.06,  0.01,  0.03)
164:     bond    ( 14.575, -43.264,  -7.494)  ( 14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
164:     angle   (  0.011,   0.075,  -0.029)  (  0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
164:     strbnd  (  4.670, -27.652,  -7.698)  (  4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.031,   0.017,  -0.018)  ( -0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.012,   0.004,  -0.006)  ( -0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (-10.865,  -5.113,  -8.667)  (-10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 47       (-38.554, -47.306,  52.205)  (-38.549, -47.297,  52.209)  ( 0.01,  0.02,  0.01)
164:     bond    (-12.136, -26.884,  35.751)  (-12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
164:     angle   ( -0.007,  -0.081,  -0.014)  ( -0.006,  -0.079,  -0.013)  ( 0.00,  0.01,  0.00)
164:     strbnd  (-12.414, -17.160,  20.000)  (-12.413, -17.159,  20.000)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.017,  -0.014,   0.019)  (  0.017,  -0.014,   0.019)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.005,  -0.002,   0.006)  (  0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (-14.019,  -3.165,  -3.556)  (-14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 48       (-37.613,  -0.007, -70.710)  (-37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
164:     bond    (-31.161,  -0.003, -34.133)  (-31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
164:     angle   ( -0.051,  -0.002,  -0.024)  ( -0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
164:     strbnd  (-15.277,  -0.001, -24.743)  (-15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.022,  -0.000,   0.006)  ( -0.021,   0.000,   0.006)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.010,  -0.000,   0.005)  ( -0.011,   0.000,   0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (  8.908,  -0.000, -11.821)  (  8.908,  -0.000, -11.821)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 49       ( 23.900,   8.348,  75.919)  ( 23.905,   8.353,  75.928)  ( 0.02,  0.06,  0.01)
164:     bond    (  7.487,  14.575,  43.256)  (  7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
164:     angle   (  0.026,   0.011,  -0.077)  (  0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
164:     strbnd  (  7.696,   4.670,  27.650)  (  7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.018,  -0.031,  -0.018)  (  0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.006,  -0.012,  -0.004)  (  0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     (  8.667, -10.865,   5.113)  (  8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 50       (-54.913,  35.514, -24.139)  (-54.905,  35.518, -24.134)  ( 0.02,  0.01,  0.02)
164:     bond    (-26.884,  35.751, -12.136)  (-26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
164:     angle   (  8.310,  -2.331,   1.428)  (  8.312,  -2.330,   1.429)  ( 0.02,  0.05,  0.09)
164:     strbnd  (-33.157,   3.792,  -2.400)  (-33.157,   3.793,  -2.399)  ( 0.00,  0.02,  0.04)
164:     torsion ( -0.015,   1.852,   2.983)  ( -0.015,   1.853,   2.983)  ( 0.00,  0.03,  0.01)
164:     oop     ( -0.002,   0.006,   0.005)  ( -0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.165,  -3.556, -14.019)  ( -3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 51       ( -8.357, -75.934, -23.913)  ( -8.353, -75.928, -23.905)  ( 0.04,  0.01,  0.03)
164:     bond    (-14.578, -43.264,  -7.494)  (-14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
164:     angle   ( -0.013,   0.075,  -0.029)  ( -0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
164:     strbnd  ( -4.671, -27.652,  -7.698)  ( -4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
164:     torsion (  0.030,   0.017,  -0.018)  (  0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.012,   0.004,  -0.006)  (  0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 10.865,  -5.113,  -8.667)  ( 10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 52       ( 37.554, -49.775,  56.098)  ( 37.561, -49.767,  56.102)  ( 0.02,  0.02,  0.01)
164:     bond    ( 12.130, -26.884,  35.751)  ( 12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
164:     angle   (  1.671,   3.010,   0.624)  (  1.672,   3.012,   0.625)  ( 0.08,  0.05,  0.07)
164:     strbnd  ( 11.182, -22.719,  19.528)  ( 11.183, -22.718,  19.529)  ( 0.01,  0.00,  0.00)
164:     torsion ( -1.441,  -0.016,   3.746)  ( -1.441,  -0.015,   3.746)  ( 0.03,  0.00,  0.02)
164:     oop     ( -0.006,  -0.002,   0.006)  ( -0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 14.019,  -3.165,  -3.556)  ( 14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 53       ( 57.517,  33.960,  18.680)  ( 57.526,  33.965,  18.684)  ( 0.02,  0.02,  0.02)
164:     bond    ( 43.256,   7.487,  14.575)  ( 43.260,   7.491,  14.577)  ( 0.01,  0.04,  0.01)
164:     angle   ( -5.272,  -6.052,  -3.749)  ( -5.270,  -6.051,  -3.748)  ( 0.03,  0.03,  0.03)
164:     strbnd  ( 14.441,  25.672,  15.790)  ( 14.443,  25.673,  15.791)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.018,  -1.820,   2.940)  ( -0.018,  -1.820,   2.940)  ( 0.00,  0.02,  0.02)
164:     oop     ( -0.004,   0.006,  -0.012)  ( -0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.113,   8.667, -10.865)  (  5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 54       (-52.445,  20.194,   0.196)  (-52.439,  20.201,   0.199)  ( 0.01,  0.03,  0.06)
164:     bond    (-30.817,  15.080,  19.379)  (-30.813,  15.086,  19.380)  ( 0.01,  0.03,  0.00)
164:     angle   (  5.186,   6.102,   3.821)  (  5.188,   6.103,   3.822)  ( 0.04,  0.03,  0.02)
164:     strbnd  (-26.815, -14.634, -11.154)  (-26.815, -14.635, -11.154)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.000,   1.831,  -2.952)  (  0.001,   1.831,  -2.951)  ( 0.00,  0.01,  0.02)
164:     oop     ( -0.000,  -0.005,   0.010)  (  0.000,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.000,  11.821,  -8.908)  (  0.000,  11.821,  -8.908)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 55       ( 37.554,  49.762,  56.098)  ( 37.561,  49.767,  56.102)  ( 0.02,  0.01,  0.01)
164:     bond    ( 12.130,  26.876,  35.751)  ( 12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
164:     angle   (  1.671,  -3.013,   0.624)  (  1.672,  -3.012,   0.625)  ( 0.08,  0.05,  0.07)
164:     strbnd  ( 11.182,  22.717,  19.528)  ( 11.183,  22.718,  19.529)  ( 0.01,  0.00,  0.00)
164:     torsion ( -1.441,   0.015,   3.746)  ( -1.441,   0.015,   3.746)  ( 0.03,  0.00,  0.02)
164:     oop     ( -0.006,   0.002,   0.006)  ( -0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 14.019,   3.164,  -3.556)  ( 14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 56       (-38.554,  47.292,  52.205)  (-38.549,  47.297,  52.209)  ( 0.01,  0.01,  0.01)
164:     bond    (-12.136,  26.876,  35.751)  (-12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
164:     angle   ( -0.007,   0.078,  -0.014)  ( -0.006,   0.079,  -0.013)  ( 0.00,  0.01,  0.00)
164:     strbnd  (-12.414,  17.157,  20.000)  (-12.413,  17.159,  20.000)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.017,   0.014,   0.019)  (  0.017,   0.014,   0.019)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.005,   0.002,   0.006)  (  0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (-14.019,   3.164,  -3.556)  (-14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 29       ( -0.010,   0.009,   0.006)  ( -0.009,   0.011,   0.007)  ( 0.00,  0.00,  0.00)
165:     bond    ( -1.360,   1.906,  -0.984)  ( -1.359,   1.908,  -0.983)  ( 0.07,  0.10,  0.05)
165:     angle   ( -1.796,  -0.247,   2.003)  ( -1.796,  -0.247,   2.004)  ( 0.02,  0.01,  0.02)
165:     strbnd  (  0.022,  -0.940,   0.574)  (  0.022,  -0.940,   0.574)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.230,  -0.392,  -1.079)  (  0.230,  -0.392,  -1.079)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  2.893,  -0.319,  -0.508)  (  2.893,  -0.319,  -0.508)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 30       ( -0.034,  -0.020,   0.025)  ( -0.032,  -0.019,   0.027)  ( 0.01,  0.00,  0.00)
165:     bond    ( -1.739,  -1.521,   1.401)  ( -1.737,  -1.520,   1.402)  ( 0.08,  0.07,  0.07)
165:     angle   ( -1.608,   1.824,  -0.015)  ( -1.608,   1.824,  -0.015)  ( 0.02,  0.02,  0.00)
165:     strbnd  (  0.184,   0.874,  -0.682)  (  0.184,   0.874,  -0.682)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.081,  -0.467,  -0.406)  (  0.081,  -0.467,  -0.406)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  3.048,  -0.731,  -0.273)  (  3.048,  -0.731,  -0.273)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 31       (  0.009,  -0.001,   0.008)  (  0.010,   0.000,   0.009)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.898,  -0.437,  -0.824)  ( -0.896,  -0.436,  -0.823)  ( 0.15,  0.02,  0.11)
165:     angle   (  0.051,   0.059,  -0.088)  (  0.051,   0.060,  -0.088)  ( 0.00,  0.00,  0.00)
165:     strbnd  ( -0.056,   0.008,  -0.026)  ( -0.056,   0.008,  -0.026)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.032,  -0.088,   0.081)  ( -0.032,  -0.087,   0.081)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.943,   0.456,   0.865)  (  0.943,   0.456,   0.865)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: ok 14 # gradients 
165: ok 15 # energy 
165: ----------------------------------------------------------------------------------------
165:                                                                                         
165:   VALIDATE GRADIENTS : vuwxug.xyz
165:                                                                                         
165:                                                                                         
165: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
165: ----------------------------------------------------------------------------------------
165:  1       (  0.017,  -0.032,  -0.004)  (  0.360,   0.161,  -0.046)  ( 0.59,  0.62,  0.02)
165:     bond    (  4.935,  -9.109,  -1.104)  (  4.935,  -9.107,  -1.104)  ( 0.02,  0.03,  0.01)
165:     angle   ( -2.548,  -2.956,  12.992)  ( -2.548,  -2.956,  12.993)  ( 0.00,  0.00,  0.01)
165:     strbnd  (  3.655,  -7.443,   0.124)  (  3.655,  -7.443,   0.124)  ( 0.00,  0.00,  0.00)
165:     torsion (  4.665,   2.461,   0.552)  (  4.665,   2.461,   0.552)  ( 0.00,  0.00,  0.00)
165:     oop     ( -2.201,  -1.235,   0.352)  ( -1.859,  -1.045,   0.309)  (15.54, 15.42,  1.50)
165:     vdw     ( -2.138,   3.876,  -4.785)  ( -2.138,   3.876,  -4.785)  ( 0.00,  0.00,  0.00)
165:     electro ( -6.351,  14.374,  -8.135)  ( -6.351,  14.374,  -8.135)  ( 0.00,  0.00,  0.00)
165:  2       (  0.013,  -0.006,  -0.016)  (  0.100,   0.046,   0.007)  ( 0.12,  0.03,  0.04)
165:     bond    (  6.117, -25.834, -17.177)  (  6.117, -25.831, -17.166)  ( 0.01,  0.01,  0.06)
165:     angle   ( -9.069,  20.562,  11.811)  ( -9.068,  20.564,  11.813)  ( 0.00,  0.01,  0.02)
165:     strbnd  ( -0.570,   2.942,  11.231)  ( -0.570,   2.942,  11.229)  ( 0.00,  0.01,  0.02)
165:     torsion (  5.151,   1.716,  -0.095)  (  5.151,   1.716,  -0.095)  ( 0.01,  0.00,  0.00)
165:     oop     ( -0.825,  -0.292,  -0.005)  ( -0.739,  -0.246,   0.007)  ( 7.08,  1.34,  0.01)
165:     vdw     ( -0.760,   1.774,  -1.397)  ( -0.760,   1.774,  -1.397)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.031,  -0.874,  -4.384)  ( -0.031,  -0.874,  -4.384)  ( 0.00,  0.00,  0.00)
165:  3       ( -0.030,   0.042,  -0.002)  ( -1.051,  -0.373,   0.176)  ( 3.08,  1.73,  0.04)
165:     bond    ( -0.092,  -4.505,  20.203)  ( -0.091,  -4.501,  20.209)  ( 0.01,  0.11,  0.03)
165:     angle   ( 15.243, -23.754, -22.274)  ( 15.243, -23.753, -22.272)  ( 0.00,  0.01,  0.01)
165:     strbnd  ( -1.022,   1.368,   2.985)  ( -1.022,   1.367,   2.985)  ( 0.02,  0.04,  0.02)
165:     torsion (-13.562,  -4.422,   0.317)  (-13.562,  -4.422,   0.317)  ( 0.00,  0.00,  0.00)
165:     oop     (  7.262,   2.827,  -1.384)  (  6.240,   2.406,  -1.213)  (14.07, 14.88, 12.33)
165:     vdw     ( -1.549,   6.037,   1.007)  ( -1.549,   6.037,   1.007)  ( 0.00,  0.00,  0.00)
165:     electro ( -6.310,  22.492,  -0.857)  ( -6.310,  22.492,  -0.857)  ( 0.00,  0.00,  0.00)
165:  4       ( -0.008,   0.003,  -0.019)  (  0.107,   0.035,  -0.019)  ( 0.09,  0.01,  0.00)
165:     bond    (  0.074,  -3.835, -13.494)  (  0.074,  -3.834, -13.485)  ( 0.00,  0.02,  0.06)
165:     angle   (  0.976,  -3.230,   0.924)  (  0.976,  -3.229,   0.924)  ( 0.00,  0.02,  0.01)
165:     strbnd  ( -0.552,   0.029,  -7.860)  ( -0.552,   0.029,  -7.860)  ( 0.00,  0.00,  0.00)
165:     torsion ( -1.574,  -0.412,   0.108)  ( -1.574,  -0.412,   0.108)  ( 0.01,  0.00,  0.00)
165:     oop     ( -0.503,  -0.135,   0.036)  ( -0.388,  -0.104,   0.028)  ( 5.79,  0.41,  0.03)
165:     vdw     (  0.515,   2.328,   5.755)  (  0.515,   2.328,   5.755)  ( 0.00,  0.01,  0.00)
165:     electro (  1.057,   5.257,  14.512)  (  1.057,   5.257,  14.512)  ( 0.00,  0.00,  0.00)
165:  5       (  0.003,  -0.006,   0.005)  (  0.404,   0.128,  -0.118)  ( 0.12,  0.08,  0.06)
165:     bond    (  0.018,   0.073,   0.129)  (  0.018,   0.074,   0.133)  ( 0.00,  0.01,  0.05)
165:     angle   ( -4.844,   9.643,  -4.711)  ( -4.844,   9.644,  -4.711)  ( 0.00,  0.01,  0.00)
165:     strbnd  ( -0.264,   0.055,   0.251)  ( -0.264,   0.055,   0.251)  ( 0.00,  0.00,  0.00)
165:     torsion (  4.454,   0.421,  -0.829)  (  4.455,   0.421,  -0.829)  ( 0.00,  0.00,  0.00)
165:     oop     ( -3.071,  -0.983,   0.957)  ( -2.670,  -0.852,   0.830)  (13.05, 12.95, 12.12)
165:     vdw     ( -0.672,   1.547,  -1.346)  ( -0.672,   1.547,  -1.346)  ( 0.00,  0.00,  0.00)
165:     electro (  4.382, -10.762,   5.553)  (  4.382, -10.762,   5.553)  ( 0.00,  0.00,  0.00)
165:  6       ( -0.018,  -0.005,  -0.006)  ( -0.100,  -0.046,  -0.007)  ( 0.15,  0.02,  0.00)
165:     bond    ( -6.118,  25.827,  17.156)  ( -6.117,  25.831,  17.166)  ( 0.01,  0.01,  0.06)
165:     angle   (  9.068, -20.566, -11.815)  (  9.068, -20.564, -11.813)  ( 0.00,  0.01,  0.02)
165:     strbnd  (  0.570,  -2.941, -11.227)  (  0.570,  -2.942, -11.229)  ( 0.00,  0.01,  0.02)
165:     torsion ( -5.151,  -1.716,   0.095)  ( -5.151,  -1.716,   0.095)  ( 0.01,  0.00,  0.00)
165:     oop     (  0.822,   0.291,   0.005)  (  0.739,   0.246,  -0.007)  ( 6.84,  1.33,  0.01)
165:     vdw     (  0.760,  -1.774,   1.397)  (  0.760,  -1.774,   1.397)  ( 0.00,  0.00,  0.00)
165:     electro (  0.031,   0.874,   4.384)  (  0.031,   0.874,   4.384)  ( 0.00,  0.00,  0.00)
165:  7       (  0.027,  -0.054,  -0.013)  (  1.051,   0.373,  -0.176)  ( 2.79,  2.29,  0.21)
165:     bond    (  0.090,   4.496, -20.215)  (  0.091,   4.501, -20.209)  ( 0.01,  0.11,  0.03)
165:     angle   (-15.244,  23.751,  22.270)  (-15.243,  23.753,  22.272)  ( 0.00,  0.01,  0.01)
165:     strbnd  (  1.022,  -1.367,  -2.985)  (  1.022,  -1.367,  -2.985)  ( 0.02,  0.04,  0.02)
165:     torsion ( 13.561,   4.422,  -0.317)  ( 13.562,   4.422,  -0.317)  ( 0.00,  0.00,  0.00)
165:     oop     ( -7.262,  -2.827,   1.384)  ( -6.240,  -2.406,   1.213)  (14.07, 14.88, 12.33)
165:     vdw     (  1.549,  -6.037,  -1.007)  (  1.549,  -6.037,  -1.007)  ( 0.00,  0.00,  0.00)
165:     electro (  6.310, -22.492,   0.857)  (  6.310, -22.492,   0.857)  ( 0.00,  0.00,  0.00)
165:  8       (  0.007,  -0.006,   0.002)  ( -0.107,  -0.035,   0.019)  ( 0.08,  0.02,  0.00)
165:     bond    ( -0.074,   3.834,  13.477)  ( -0.074,   3.834,  13.485)  ( 0.00,  0.02,  0.06)
165:     angle   ( -0.976,   3.229,  -0.924)  ( -0.976,   3.229,  -0.924)  ( 0.00,  0.02,  0.01)
165:     strbnd  (  0.552,  -0.030,   7.860)  (  0.552,  -0.029,   7.860)  ( 0.00,  0.00,  0.00)
165:     torsion (  1.574,   0.412,  -0.108)  (  1.574,   0.412,  -0.108)  ( 0.01,  0.00,  0.00)
165:     oop     (  0.503,   0.135,  -0.036)  (  0.388,   0.104,  -0.028)  ( 5.76,  0.41,  0.03)
165:     vdw     ( -0.515,  -2.328,  -5.755)  ( -0.515,  -2.328,  -5.755)  ( 0.00,  0.01,  0.00)
165:     electro ( -1.057,  -5.257, -14.512)  ( -1.057,  -5.257, -14.512)  ( 0.00,  0.00,  0.00)
165:  9       ( -0.019,   0.027,   0.003)  ( -0.360,  -0.161,   0.046)  ( 0.63,  0.51,  0.01)
165:     bond    ( -4.936,   9.104,   1.104)  ( -4.935,   9.107,   1.104)  ( 0.02,  0.03,  0.01)
165:     angle   (  2.548,   2.956, -12.993)  (  2.548,   2.956, -12.993)  ( 0.00,  0.00,  0.01)
165:     strbnd  ( -3.655,   7.442,  -0.124)  ( -3.655,   7.443,  -0.124)  ( 0.00,  0.00,  0.00)
165:     torsion ( -4.666,  -2.462,  -0.552)  ( -4.665,  -2.461,  -0.552)  ( 0.00,  0.00,  0.00)
165:     oop     (  2.201,   1.235,  -0.352)  (  1.859,   1.045,  -0.309)  (15.54, 15.42,  1.50)
165:     vdw     (  2.138,  -3.876,   4.785)  (  2.138,  -3.876,   4.785)  ( 0.00,  0.00,  0.00)
165:     electro (  6.351, -14.374,   8.135)  (  6.351, -14.374,   8.135)  ( 0.00,  0.00,  0.00)
165: 10       ( -0.004,   0.002,  -0.012)  ( -0.404,  -0.128,   0.118)  ( 0.15,  0.03,  0.16)
165:     bond    ( -0.018,  -0.075,  -0.136)  ( -0.018,  -0.074,  -0.133)  ( 0.00,  0.01,  0.05)
165:     angle   (  4.844,  -9.644,   4.710)  (  4.844,  -9.644,   4.711)  ( 0.00,  0.01,  0.00)
165:     strbnd  (  0.264,  -0.055,  -0.251)  (  0.264,  -0.055,  -0.251)  ( 0.00,  0.00,  0.00)
165:     torsion ( -4.455,  -0.421,   0.829)  ( -4.455,  -0.421,   0.829)  ( 0.00,  0.00,  0.00)
165:     oop     (  3.071,   0.983,  -0.957)  (  2.670,   0.852,  -0.830)  (13.05, 12.95, 12.12)
165:     vdw     (  0.672,  -1.547,   1.346)  (  0.672,  -1.547,   1.346)  ( 0.00,  0.00,  0.00)
165:     electro ( -4.382,  10.762,  -5.553)  ( -4.382,  10.762,  -5.553)  ( 0.00,  0.00,  0.00)
165: ok 16 # gradients 
176/208 Test #165: test_ffmmff94_2 ..................   Passed    1.02 sec
166:     strbnd  ( -0.325,   0.488,   0.279)  ( -0.325,   0.488,   0.279)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.294,   0.792,   0.827)  (  1.294,   0.792,   0.827)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.153,  -3.573,  -1.933)  ( -0.153,  -3.573,  -1.933)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 63       ( -0.297,   0.195,   0.097)  ( -0.296,   0.196,   0.100)  ( 0.03,  0.01,  0.03)
166:     bond    (  0.610,   0.315,   1.633)  (  0.610,   0.315,   1.636)  ( 0.02,  0.00,  0.18)
166:     angle   ( -1.418,   1.386,   0.261)  ( -1.418,   1.387,   0.261)  ( 0.03,  0.03,  0.00)
166:     strbnd  ( -0.282,   0.382,   0.365)  ( -0.282,   0.382,   0.365)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.426,   0.990,  -0.350)  (  0.426,   0.990,  -0.350)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.367,  -2.878,  -1.812)  (  0.367,  -2.878,  -1.812)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 64       (  5.704,  -0.249,   0.138)  (  5.704,  -0.244,   0.139)  ( 0.00,  0.13,  0.01)
166:     bond    (  0.052,   0.524,  -0.141)  (  0.052,   0.529,  -0.141)  ( 0.00,  0.27,  0.01)
166:     angle   (  0.150,  -0.836,  -3.088)  (  0.150,  -0.836,  -3.088)  ( 0.00,  0.00,  0.02)
166:     strbnd  ( -0.049,  -0.575,   0.050)  ( -0.049,  -0.575,   0.050)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.430,  -0.034,   0.030)  (  0.430,  -0.034,   0.030)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.052,   1.173,   1.899)  (  0.052,   1.173,   1.900)  ( 0.00,  0.00,  0.00)
166:     electro (  5.069,  -0.500,   1.387)  (  5.069,  -0.500,   1.387)  ( 0.00,  0.00,  0.00)
166: 65       ( -0.114,   0.570,  -0.149)  ( -0.109,   0.571,  -0.148)  ( 0.06,  0.02,  0.01)
166:     bond    (-17.085,  -2.760,   0.383)  (-17.080,  -2.760,   0.384)  ( 0.03,  0.01,  0.00)
166:     angle   (  0.082,  -0.169,   2.424)  (  0.082,  -0.169,   2.425)  ( 0.00,  0.00,  0.02)
166:     strbnd  (  0.390,   0.135,  -0.958)  (  0.390,   0.135,  -0.958)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.084,   0.524,   0.039)  ( -0.084,   0.524,   0.039)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.216,   1.133,   7.265)  ( -1.216,   1.133,   7.265)  ( 0.00,  0.00,  0.00)
166:     electro ( 17.799,   1.709,  -9.304)  ( 17.799,   1.709,  -9.304)  ( 0.00,  0.00,  0.00)
166: ok 14 # gradients 
166: ok 15 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
166:  1       ( -1.689,  29.086,  12.210)  ( -1.711,  29.002,  12.363)  ( 1.27,  0.29,  1.25)
166:     bond    (-17.707,   8.335,   2.191)  (-17.700,   8.340,   2.193)  ( 0.04,  0.06,  0.09)
166:     angle   ( 17.323,  25.618,  18.944)  ( 17.325,  25.620,  18.945)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -1.493,  -7.945,  -5.133)  ( -1.494,  -7.946,  -5.134)  ( 0.06,  0.01,  0.00)
166:     torsion (  0.601,   2.014,  -3.362)  (  0.601,   2.014,  -3.362)  ( 0.00,  0.01,  0.02)
166:     oop     (  0.117,   0.376,  -0.635)  (  0.088,   0.286,  -0.485)  ( 0.35,  3.38,  9.52)
166:     vdw     ( -0.601,  -0.190,  -0.199)  ( -0.601,  -0.190,  -0.199)  ( 0.00,  0.00,  0.00)
166:     electro (  0.071,   0.878,   0.403)  (  0.071,   0.878,   0.403)  ( 0.00,  0.00,  0.00)
166:  2       (-43.130,  -3.367,  -5.439)  (-43.097,  -3.287,  -5.559)  ( 0.08,  2.36,  2.20)
166:     bond    (-26.717,  -2.707,  -7.585)  (-26.711,  -2.702,  -7.583)  ( 0.02,  0.19,  0.02)
166:     angle   (-14.462,  -4.144,  -5.035)  (-14.460,  -4.143,  -5.035)  ( 0.01,  0.04,  0.01)
166:     strbnd  (  0.308,   7.811,   4.693)  (  0.308,   7.811,   4.693)  ( 0.01,  0.01,  0.01)
166:     torsion ( -0.735,  -2.026,   3.413)  ( -0.735,  -2.026,   3.414)  ( 0.00,  0.02,  0.03)
166:     oop     ( -0.154,  -0.448,   0.744)  ( -0.128,  -0.375,   0.621)  ( 0.40,  3.28,  9.11)
166:     vdw     ( -1.663,  -1.307,  -1.215)  ( -1.663,  -1.307,  -1.215)  ( 0.00,  0.00,  0.00)
166:     electro (  0.292,  -0.546,  -0.454)  (  0.292,  -0.546,  -0.454)  ( 0.00,  0.00,  0.00)
166:  3       ( 26.796,  24.803,  13.755)  ( 26.767,  24.702,  13.933)  ( 0.11,  0.40,  1.30)
166:     bond    ( 32.244,   7.181,  11.384)  ( 32.249,   7.186,  11.386)  ( 0.02,  0.06,  0.02)
166:     angle   ( -9.397,   6.895,   4.311)  ( -9.395,   6.897,   4.311)  ( 0.02,  0.02,  0.02)
166:     strbnd  (  5.047,   6.760,   5.135)  (  5.046,   6.759,   5.135)  ( 0.01,  0.01,  0.00)
166:     torsion (  1.173,   3.527,  -5.707)  (  1.173,   3.527,  -5.706)  ( 0.00,  0.01,  0.01)
166:     oop     (  0.194,   0.561,  -0.910)  (  0.158,   0.454,  -0.735)  ( 0.69,  5.96, 15.93)
166:     vdw     ( -2.822,   0.795,   0.719)  ( -2.822,   0.795,   0.719)  ( 0.00,  0.00,  0.00)
166:     electro (  0.358,  -0.916,  -1.176)  (  0.358,  -0.916,  -1.176)  ( 0.00,  0.00,  0.00)
166:  4       ( 30.208,   3.073,   6.213)  ( 30.219,   3.104,   6.463)  ( 0.04,  1.02,  4.03)
166:     bond    ( 44.923,   3.054,  10.850)  ( 44.929,   3.058,  10.852)  ( 0.01,  0.15,  0.02)
166:     angle   (-11.137,   3.853,   1.631)  (-11.135,   3.855,   1.632)  ( 0.02,  0.05,  0.04)
166:     strbnd  ( -0.803,  -4.122,  -2.305)  ( -0.804,  -4.123,  -2.306)  ( 0.08,  0.01,  0.01)
166:     torsion ( -0.049,  -0.229,  -1.535)  ( -0.049,  -0.229,  -1.535)  ( 0.00,  0.01,  0.05)
166:     oop     ( -0.023,  -0.118,  -0.821)  ( -0.020,  -0.093,  -0.574)  ( 0.01,  0.29, 20.32)
166:     vdw     ( -2.511,   0.309,  -1.489)  ( -2.511,   0.309,  -1.489)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.191,   0.327,  -0.117)  ( -0.191,   0.327,  -0.117)  ( 0.00,  0.00,  0.00)
166:  5       ( -7.948, -76.115, -41.479)  ( -7.959, -76.157, -41.393)  ( 0.13,  0.05,  0.21)
166:     bond    (  8.045, -42.089, -24.804)  (  8.052, -42.083, -24.802)  ( 0.09,  0.01,  0.01)
166:     angle   (-16.828, -30.092, -21.409)  (-16.826, -30.090, -21.409)  ( 0.01,  0.01,  0.00)
166:     strbnd  (  5.512,  -1.560,   0.571)  (  5.511,  -1.560,   0.570)  ( 0.02,  0.01,  0.01)
166:     torsion ( -1.167,  -3.866,   6.122)  ( -1.167,  -3.866,   6.123)  ( 0.00,  0.01,  0.01)
166:     oop     (  0.067,   0.201,  -0.328)  (  0.049,   0.152,  -0.246)  ( 0.12,  0.98,  2.70)
166:     vdw     ( -3.591,   1.489,  -1.515)  ( -3.591,   1.489,  -1.515)  ( 0.00,  0.00,  0.00)
166:     electro (  0.014,  -0.198,  -0.115)  (  0.014,  -0.198,  -0.115)  ( 0.00,  0.00,  0.00)
166:  6       (-30.115,  -5.188,  10.096)  (-30.111,  -5.194,   9.573)  ( 0.01,  0.12,  5.18)
166:     bond    (-46.066,  -5.896,   0.687)  (-46.059,  -5.889,   0.688)  ( 0.01,  0.11,  0.01)
166:     angle   ( 11.582,  -5.904,   1.352)  ( 11.584,  -5.902,   1.352)  ( 0.02,  0.04,  0.01)
166:     strbnd  (  1.321,   5.298,   0.111)  (  1.319,   5.297,   0.111)  ( 0.08,  0.01,  0.00)
166:     torsion (  0.044,   1.140,   6.540)  (  0.044,   1.140,   6.541)  ( 0.00,  0.01,  0.02)
166:     oop     ( -0.012,   0.131,   2.561)  ( -0.015,   0.116,   2.037)  ( 0.00,  0.19, 20.47)
166:     vdw     (  2.802,   0.309,  -0.945)  (  2.802,   0.309,  -0.945)  ( 0.00,  0.00,  0.00)
166:     electro (  0.213,  -0.266,  -0.210)  (  0.213,  -0.266,  -0.210)  ( 0.00,  0.00,  0.00)
166:  7       ( 12.679,  86.994, -19.032)  ( 12.700,  86.952, -19.301)  ( 0.17,  0.05,  1.42)
166:     bond    ( -5.030,  48.598,  -6.009)  ( -5.023,  48.605,  -6.009)  ( 0.14,  0.01,  0.00)
166:     angle   ( 20.610,  38.351,  -5.278)  ( 20.612,  38.353,  -5.277)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -7.020,   1.621,  -1.168)  ( -7.021,   1.621,  -1.168)  ( 0.02,  0.02,  0.01)
166:     torsion (  0.098,  -1.110,  -6.501)  (  0.098,  -1.110,  -6.500)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.002,   0.211,   1.179)  (  0.015,   0.160,   0.909)  ( 0.00,  1.08, 22.95)
166:     vdw     (  4.021,  -0.905,  -1.238)  (  4.021,  -0.905,  -1.238)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.002,   0.227,  -0.017)  ( -0.002,   0.227,  -0.017)  ( 0.00,  0.00,  0.00)
166:  8       ( -0.374, -32.479,   6.496)  ( -0.364, -32.472,   6.450)  ( 0.39,  0.02,  0.71)
166:     bond    ( 17.320,  -9.193,   0.193)  ( 17.327,  -9.187,   0.193)  ( 0.04,  0.07,  0.00)
166:     angle   (-21.343, -31.556,   3.930)  (-21.342, -31.553,   3.930)  ( 0.01,  0.01,  0.00)
166:     strbnd  (  3.117,   8.773,  -0.540)  (  3.116,   8.771,  -0.540)  ( 0.03,  0.01,  0.00)
166:     torsion (  0.062,   0.254,   3.026)  (  0.062,   0.254,   3.027)  ( 0.00,  0.00,  0.04)
166:     oop     ( -0.019,  -0.027,  -0.085)  ( -0.016,  -0.028,  -0.132)  ( 0.00,  0.00,  0.40)
166:     vdw     (  0.599,   0.238,  -0.003)  (  0.599,   0.238,  -0.003)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.111,  -0.968,  -0.025)  ( -0.111,  -0.968,  -0.025)  ( 0.00,  0.00,  0.00)
166:  9       ( 44.803,   3.914,   2.819)  ( 44.806,   3.913,   2.731)  ( 0.01,  0.03,  3.12)
166:     bond    ( 27.504,   4.642,  -1.536)  ( 27.511,   4.648,  -1.536)  ( 0.02,  0.14,  0.00)
166:     angle   ( 15.991,   5.308,  -0.805)  ( 15.993,   5.309,  -0.804)  ( 0.01,  0.04,  0.01)
166:     strbnd  ( -0.547,  -8.870,   0.817)  ( -0.547,  -8.870,   0.817)  ( 0.03,  0.01,  0.00)
166:     torsion (  0.167,   0.437,   4.249)  (  0.167,   0.437,   4.250)  ( 0.00,  0.00,  0.03)
166:     oop     (  0.027,   0.073,   0.647)  (  0.022,   0.064,   0.558)  ( 0.01,  0.07,  5.77)
166:     vdw     (  1.899,   1.622,  -0.325)  (  1.899,   1.622,  -0.325)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.238,   0.703,  -0.227)  ( -0.238,   0.703,  -0.227)  ( 0.00,  0.00,  0.00)
166: 10       (-30.928, -25.769,  -2.929)  (-30.914, -25.703,  -2.397)  ( 0.04,  0.25, 18.16)
166:     bond    (-33.338, -10.219,   2.044)  (-33.333, -10.213,   2.044)  ( 0.02,  0.06,  0.00)
166:     angle   (  5.728,  -6.663,   4.844)  (  5.730,  -6.662,   4.844)  ( 0.04,  0.03,  0.01)
166:     strbnd  ( -5.454,  -7.832,   0.921)  ( -5.455,  -7.833,   0.921)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.215,  -0.970,  -8.075)  ( -0.215,  -0.970,  -8.074)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.036,  -0.302,  -2.716)  ( -0.029,  -0.244,  -2.185)  ( 0.02,  1.75, 19.54)
166:     vdw     (  2.593,  -1.118,   0.786)  (  2.593,  -1.118,   0.786)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.206,   1.335,  -0.734)  ( -0.206,   1.335,  -0.734)  ( 0.00,  0.00,  0.00)
166: 11       (-26.673, -22.301,   4.179)  (-26.670, -22.313,   4.011)  ( 0.01,  0.05,  4.01)
166:     bond    ( -1.917,  -0.727,  -0.074)  ( -1.913,  -0.722,  -0.070)  ( 0.20,  0.32,  0.03)
166:     angle   (-29.136, -26.052,   2.735)  (-29.134, -26.050,   2.736)  ( 0.01,  0.01,  0.05)
166:     strbnd  (  4.010,   7.688,  -1.200)  (  4.009,   7.687,  -1.200)  ( 0.01,  0.02,  0.04)
166:     torsion (  0.015,   0.059,   0.642)  (  0.015,   0.059,   0.642)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.009,   0.064,   0.656)  (  0.007,   0.046,   0.483)  ( 0.00,  0.11, 11.35)
166:     vdw     (  0.354,  -2.969,   0.608)  (  0.354,  -2.969,   0.608)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.008,  -0.365,   0.812)  ( -0.008,  -0.365,   0.812)  ( 0.00,  0.00,  0.00)
166: 12       ( -2.353,   3.616,  -2.204)  ( -2.349,   3.623,  -2.134)  ( 0.16,  0.19,  3.21)
166:     bond    ( -1.203,  -0.681,   0.064)  ( -1.200,  -0.680,   0.064)  ( 0.25,  0.07,  0.00)
166:     angle   ( -3.337,   5.858,  -0.289)  ( -3.337,   5.858,  -0.289)  ( 0.00,  0.01,  0.00)
166:     strbnd  (  0.884,  -1.534,   0.070)  (  0.884,  -1.534,   0.070)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.026,  -0.127,  -1.856)  ( -0.026,  -0.127,  -1.856)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.003,  -0.017,  -0.242)  ( -0.002,  -0.012,  -0.171)  ( 0.00,  0.01,  1.70)
166:     vdw     (  0.644,   0.265,  -0.021)  (  0.644,   0.265,  -0.021)  ( 0.00,  0.00,  0.00)
166:     electro (  0.688,  -0.147,   0.070)  (  0.688,  -0.147,   0.070)  ( 0.00,  0.00,  0.00)
166: 13       ( -2.636,  -4.315,  -0.527)  ( -2.633,  -4.310,  -0.502)  ( 0.12,  0.11,  1.28)
166:     bond    ( -1.376,   1.267,  -0.103)  ( -1.374,   1.269,  -0.103)  ( 0.15,  0.14,  0.00)
166:     angle   ( -4.815,  -5.170,   0.545)  ( -4.815,  -5.170,   0.545)  ( 0.01,  0.01,  0.00)
166:     strbnd  (  1.880,   0.883,  -0.174)  (  1.880,   0.883,  -0.174)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.019,  -0.089,  -0.837)  ( -0.019,  -0.089,  -0.837)  ( 0.00,  0.00,  0.03)
166:     oop     ( -0.002,  -0.010,  -0.098)  ( -0.002,  -0.008,  -0.074)  ( 0.00,  0.00,  0.23)
166:     vdw     (  1.159,  -0.292,  -0.017)  (  1.159,  -0.292,  -0.017)  ( 0.00,  0.00,  0.00)
166:     electro (  0.537,  -0.904,   0.158)  (  0.537,  -0.904,   0.158)  ( 0.00,  0.00,  0.00)
166: 14       ( 26.387,  19.947,  15.099)  ( 26.412,  20.010,  15.009)  ( 0.09,  0.32,  0.60)
166:     bond    (  2.000,   0.807,   0.393)  (  2.004,   0.812,   0.397)  ( 0.19,  0.36,  0.17)
166:     angle   ( 29.017,  24.625,  15.667)  ( 29.019,  24.627,  15.669)  ( 0.01,  0.01,  0.01)
166:     strbnd  ( -3.684,  -7.464,  -4.429)  ( -3.685,  -7.465,  -4.430)  ( 0.02,  0.01,  0.02)
166:     torsion ( -0.089,  -0.284,   0.463)  ( -0.089,  -0.284,   0.463)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.074,  -0.220,   0.362)  ( -0.055,  -0.162,   0.267)  ( 0.14,  1.28,  3.46)
166:     vdw     ( -0.663,   2.502,   1.775)  ( -0.663,   2.502,   1.775)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.120,  -0.020,   0.867)  ( -0.120,  -0.020,   0.867)  ( 0.00,  0.00,  0.00)
166: 15       (  2.734,  -4.218,  -1.241)  (  2.755,  -4.158,  -1.336)  ( 0.79,  1.41,  7.69)
166:     bond    (  1.169,   0.545,   0.557)  (  1.172,   0.545,   0.558)  ( 0.23,  0.03,  0.03)
166:     angle   (  3.953,  -5.603,  -2.827)  (  3.953,  -5.602,  -2.827)  ( 0.00,  0.01,  0.00)
166:     strbnd  ( -0.998,   1.310,   0.666)  ( -0.998,   1.310,   0.666)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.049,  -0.169,   0.268)  ( -0.049,  -0.169,   0.269)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.064,  -0.204,   0.334)  ( -0.045,  -0.145,   0.237)  ( 0.12,  1.19,  3.22)
166:     vdw     ( -0.604,  -0.224,  -0.242)  ( -0.604,  -0.224,  -0.242)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.672,   0.127,   0.003)  ( -0.672,   0.127,   0.003)  ( 0.00,  0.00,  0.00)
166: 16       (  2.391,   3.742,   2.202)  (  2.389,   3.731,   2.224)  ( 0.08,  0.30,  0.99)
166:     bond    (  1.377,  -1.119,  -0.400)  (  1.379,  -1.118,  -0.400)  ( 0.16,  0.13,  0.01)
166:     angle   (  4.447,   4.280,   3.375)  (  4.447,   4.280,   3.375)  ( 0.01,  0.01,  0.01)
166:     strbnd  ( -1.774,  -0.686,  -0.825)  ( -1.774,  -0.686,  -0.825)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.054,   0.148,  -0.229)  (  0.054,   0.148,  -0.229)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.018,   0.053,  -0.087)  (  0.013,   0.040,  -0.065)  ( 0.01,  0.07,  0.18)
166:     vdw     ( -1.150,   0.297,  -0.072)  ( -1.149,   0.297,  -0.072)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.582,   0.770,   0.440)  ( -0.582,   0.770,   0.440)  ( 0.00,  0.00,  0.00)
166: 17       ( 12.700,  29.735,  18.160)  ( 12.714,  29.776,  18.099)  ( 0.11,  0.14,  0.34)
166:     bond    ( -3.169,  26.110,  15.008)  ( -3.169,  26.113,  15.009)  ( 0.01,  0.01,  0.01)
166:     angle   ( 14.067,   0.347,   2.366)  ( 14.068,   0.347,   2.366)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( -0.226,   2.694,   1.435)  ( -0.226,   2.694,   1.435)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.187,   0.538,  -0.897)  (  0.187,   0.538,  -0.897)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.055,  -0.172,   0.287)  ( -0.042,  -0.134,   0.224)  ( 0.07,  0.65,  1.81)
166:     vdw     ( -0.563,  -0.467,  -0.562)  ( -0.563,  -0.467,  -0.562)  ( 0.00,  0.00,  0.00)
166:     electro (  2.460,   0.686,   0.523)  (  2.460,   0.686,   0.523)  ( 0.00,  0.00,  0.00)
166: 18       (-16.599, -32.980,  10.375)  (-16.606, -32.943,  10.559)  ( 0.04,  0.11,  1.78)
166:     bond    (  1.321, -29.709,   5.246)  (  1.321, -29.705,   5.247)  ( 0.01,  0.01,  0.01)
166:     angle   (-16.050,  -0.489,   1.274)  (-16.050,  -0.489,   1.274)  ( 0.01,  0.00,  0.00)
166:     strbnd  (  0.072,  -3.233,   0.861)  (  0.072,  -3.233,   0.861)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.052,   0.751,   4.265)  ( -0.052,   0.751,   4.266)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.009,  -0.150,  -0.851)  (  0.001,  -0.118,  -0.667)  ( 0.01,  0.48, 15.66)
166:     vdw     (  0.603,   0.572,  -0.221)  (  0.603,   0.572,  -0.221)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.501,  -0.722,  -0.200)  ( -2.501,  -0.722,  -0.200)  ( 0.00,  0.00,  0.00)
166: 19       ( -9.549, -16.055,  -9.499)  ( -9.547, -16.054,  -9.498)  ( 0.02,  0.01,  0.01)
166:     bond    (  6.549,  -6.489,  -5.236)  (  6.550,  -6.488,  -5.235)  ( 0.02,  0.02,  0.02)
166:     angle   (-15.891, -11.333,  -5.837)  (-15.890, -11.333,  -5.837)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( -1.046,   0.503,   0.436)  ( -1.046,   0.503,   0.436)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.839,   1.264,   1.139)  (  0.839,   1.264,   1.139)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 20       ( -6.872,  -6.628,  -8.449)  ( -6.870,  -6.627,  -8.448)  ( 0.02,  0.01,  0.02)
166:     bond    ( -7.287,   3.445,  -8.054)  ( -7.286,   3.445,  -8.052)  ( 0.02,  0.01,  0.02)
166:     angle   ( -1.156, -10.327,  -3.372)  ( -1.156, -10.326,  -3.372)  ( 0.02,  0.01,  0.01)
166:     strbnd  (  1.415,  -1.060,   1.430)  (  1.415,  -1.060,   1.430)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.156,   1.313,   1.547)  (  0.156,   1.313,   1.547)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 21       ( -5.154, -11.419,  -3.897)  ( -5.153, -11.418,  -3.895)  ( 0.02,  0.01,  0.04)
166:     bond    ( -5.951,  -7.142,   6.246)  ( -5.950,  -7.141,   6.247)  ( 0.02,  0.02,  0.02)
166:     angle   ( -0.744,  -6.990,  -8.698)  ( -0.743,  -6.990,  -8.698)  ( 0.02,  0.00,  0.01)
166:     strbnd  (  1.377,   1.441,  -1.809)  (  1.377,   1.441,  -1.809)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.163,   1.273,   0.365)  (  0.163,   1.273,   0.365)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 22       (  6.707,  14.950,  -4.095)  (  6.709,  14.951,  -4.094)  ( 0.04,  0.00,  0.03)
166:     bond    ( 10.180,   0.038,  -5.182)  ( 10.183,   0.038,  -5.181)  ( 0.02,  0.00,  0.01)
166:     angle   ( -0.643,  16.864,  -1.139)  ( -0.642,  16.864,  -1.139)  ( 0.01,  0.00,  0.03)
166:     strbnd  ( -2.565,   0.430,   1.327)  ( -2.565,   0.430,   1.327)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.266,  -2.382,   0.899)  ( -0.266,  -2.382,   0.899)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 23       (  7.712,   7.044,   4.929)  (  7.712,   7.045,   4.931)  ( 0.01,  0.01,  0.05)
166:     bond    (  2.115,   4.636,   9.930)  (  2.115,   4.637,   9.932)  ( 0.01,  0.01,  0.02)
166:     angle   (  6.274,   3.725,  -3.075)  (  6.274,   3.725,  -3.075)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -0.199,  -0.342,  -1.642)  ( -0.199,  -0.342,  -1.642)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.477,  -0.975,  -0.284)  ( -0.477,  -0.975,  -0.284)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 24       ( 10.798,  13.827,  -7.791)  ( 10.799,  13.829,  -7.790)  ( 0.01,  0.01,  0.02)
166:     bond    ( -5.076,   7.231,  -5.839)  ( -5.075,   7.232,  -5.838)  ( 0.01,  0.02,  0.02)
166:     angle   ( 15.920,   8.574,  -3.218)  ( 15.920,   8.575,  -3.218)  ( 0.00,  0.00,  0.01)
166:     strbnd  (  0.876,  -0.556,   0.755)  (  0.876,  -0.556,   0.755)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.922,  -1.422,   0.511)  ( -0.922,  -1.422,   0.511)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: ok 16 # gradients 
166: ok 17 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
166:  1       ( 75.919,  23.900,  -8.357)  ( 75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
166:     bond    ( 43.256,   7.487, -14.578)  ( 43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
166:     angle   ( -0.077,   0.026,  -0.013)  ( -0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( 27.650,   7.696,  -4.671)  ( 27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
166:     torsion ( -0.018,   0.018,   0.030)  ( -0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.004,   0.006,   0.012)  ( -0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     (  5.113,   8.667,  10.865)  (  5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  2       ( -0.007,  70.694, -37.613)  (  0.000,  70.701, -37.611)  ( 0.00,  0.01,  0.01)
166:     bond    ( -0.003,  34.123, -31.161)  (  0.000,  34.128, -31.160)  ( 0.00,  0.01,  0.00)
166:     angle   ( -0.002,   0.021,  -0.051)  (  0.000,   0.022,  -0.051)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( -0.001,  24.741, -15.277)  (  0.000,  24.742, -15.276)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.007,  -0.022)  (  0.000,  -0.006,  -0.021)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.005,  -0.010)  (  0.000,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.000,  11.821,   8.908)  (  0.000,  11.821,   8.908)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  3       ( -0.007, -70.710, -37.613)  (  0.000, -70.701, -37.611)  ( 0.00,  0.01,  0.01)
166:     bond    ( -0.003, -34.133, -31.161)  (  0.000, -34.128, -31.160)  ( 0.00,  0.01,  0.00)
166:     angle   ( -0.002,  -0.024,  -0.051)  (  0.000,  -0.022,  -0.051)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( -0.001, -24.743, -15.277)  (  0.000, -24.742, -15.276)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,   0.006,  -0.022)  (  0.000,   0.006,  -0.021)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,   0.005,  -0.010)  (  0.000,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.000, -11.821,   8.908)  ( -0.000, -11.821,   8.908)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  4       ( 75.919, -23.913,  -8.357)  ( 75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
166:     bond    ( 43.256,  -7.494, -14.578)  ( 43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
166:     angle   ( -0.077,  -0.029,  -0.013)  ( -0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( 27.650,  -7.698,  -4.671)  ( 27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
166:     torsion ( -0.018,  -0.018,   0.030)  ( -0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.004,  -0.006,   0.012)  ( -0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     (  5.113,  -8.667,  10.865)  (  5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  5       (-38.554,  47.292, -52.215)  (-38.549,  47.297, -52.209)  ( 0.01,  0.01,  0.01)
166:     bond    (-12.136,  26.876, -35.755)  (-12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
166:     angle   ( -0.007,   0.078,   0.012)  ( -0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
166:     strbnd  (-12.414,  17.157, -20.001)  (-12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.017,   0.014,  -0.020)  (  0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.005,   0.002,  -0.006)  (  0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (-14.019,   3.164,   3.556)  (-14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  6       (-38.554, -47.306, -52.215)  (-38.549, -47.297, -52.209)  ( 0.01,  0.02,  0.01)
166:     bond    (-12.136, -26.884, -35.755)  (-12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
166:     angle   ( -0.007,  -0.081,   0.012)  ( -0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
166:     strbnd  (-12.414, -17.160, -20.001)  (-12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.017,  -0.014,  -0.020)  (  0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.005,  -0.002,  -0.006)  (  0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (-14.019,  -3.165,   3.556)  (-14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  7       (-75.934,  23.900,  -8.357)  (-75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
166:     bond    (-43.264,   7.487, -14.578)  (-43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
166:     angle   (  0.075,   0.026,  -0.013)  (  0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
166:     strbnd  (-27.652,   7.696,  -4.671)  (-27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
166:     torsion (  0.017,   0.018,   0.030)  (  0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.004,   0.006,   0.012)  (  0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.113,   8.667,  10.865)  ( -5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  8       (-75.934, -23.913,  -8.357)  (-75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
166:     bond    (-43.264,  -7.494, -14.578)  (-43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
166:     angle   (  0.075,  -0.029,  -0.013)  (  0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
166:     strbnd  (-27.652,  -7.698,  -4.671)  (-27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
166:     torsion (  0.017,  -0.018,   0.030)  (  0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.004,  -0.006,   0.012)  (  0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.113,  -8.667,  10.865)  ( -5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  9       ( 47.292,  52.205,  38.542)  ( 47.297,  52.209,  38.549)  ( 0.01,  0.01,  0.02)
166:     bond    ( 26.876,  35.751,  12.130)  ( 26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
166:     angle   (  0.078,  -0.014,   0.005)  (  0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( 17.157,  20.000,  12.412)  ( 17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
166:     torsion (  0.014,   0.019,  -0.017)  (  0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.002,   0.006,  -0.006)  (  0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.164,  -3.556,  14.019)  (  3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 10       (  8.348,  75.919,  23.900)  (  8.353,  75.928,  23.905)  ( 0.06,  0.01,  0.02)
166:     bond    ( 14.575,  43.256,   7.487)  ( 14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
166:     angle   (  0.011,  -0.077,   0.026)  (  0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
166:     strbnd  (  4.670,  27.650,   7.696)  (  4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.031,  -0.018,   0.018)  ( -0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.012,  -0.004,   0.006)  ( -0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (-10.865,   5.113,   8.667)  (-10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 11       (  8.348, -75.934,  23.900)  (  8.353, -75.928,  23.905)  ( 0.06,  0.01,  0.02)
166:     bond    ( 14.575, -43.264,   7.487)  ( 14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
166:     angle   (  0.011,   0.075,   0.026)  (  0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
166:     strbnd  (  4.670, -27.652,   7.696)  (  4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.031,   0.017,   0.018)  ( -0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.012,   0.004,   0.006)  ( -0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (-10.865,  -5.113,   8.667)  (-10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 12       ( 47.292, -52.215,  38.542)  ( 47.297, -52.209,  38.549)  ( 0.01,  0.01,  0.02)
166:     bond    ( 26.876, -35.755,  12.130)  ( 26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
166:     angle   (  0.078,   0.012,   0.005)  (  0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( 17.157, -20.001,  12.412)  ( 17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
166:     torsion (  0.014,  -0.020,  -0.017)  (  0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.002,  -0.006,  -0.006)  (  0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.164,   3.556,  14.019)  (  3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 13       ( 52.205, -38.554, -47.306)  ( 52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
166:     bond    ( 35.751, -12.136, -26.884)  ( 35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
166:     angle   ( -0.014,  -0.007,  -0.081)  ( -0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( 20.000, -12.414, -17.160)  ( 20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
166:     torsion (  0.019,   0.017,  -0.014)  (  0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.006,   0.005,  -0.002)  (  0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.556, -14.019,  -3.165)  ( -3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 14       (-23.913,   8.348, -75.934)  (-23.905,   8.353, -75.928)  ( 0.03,  0.06,  0.01)
166:     bond    ( -7.494,  14.575, -43.264)  ( -7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
166:     angle   ( -0.029,   0.011,   0.075)  ( -0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( -7.698,   4.670, -27.652)  ( -7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.018,  -0.031,   0.017)  ( -0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.006,  -0.012,   0.004)  ( -0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -8.667, -10.865,  -5.113)  ( -8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 15       ( 52.205, -38.554,  47.292)  ( 52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
166:     bond    ( 35.751, -12.136,  26.876)  ( 35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
166:     angle   ( -0.014,  -0.007,   0.078)  ( -0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( 20.000, -12.414,  17.157)  ( 20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
166:     torsion (  0.019,   0.017,   0.014)  (  0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.006,   0.005,   0.002)  (  0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.556, -14.019,   3.164)  ( -3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 16       (-70.710,  37.607,  -0.007)  (-70.701,  37.611,  -0.000)  ( 0.01,  0.01,  0.00)
166:     bond    (-34.133,  31.159,  -0.003)  (-34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
166:     angle   ( -0.024,   0.050,  -0.002)  ( -0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
166:     strbnd  (-24.743,  15.275,  -0.001)  (-24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.006,   0.020,  -0.000)  (  0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.005,   0.010,  -0.000)  (  0.005,   0.011,  -0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (-11.821,  -8.908,  -0.000)  (-11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 17       ( 38.542, -47.306, -52.215)  ( 38.549, -47.297, -52.209)  ( 0.02,  0.02,  0.01)
166:     bond    ( 12.130, -26.884, -35.755)  ( 12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
166:     angle   (  0.005,  -0.081,   0.012)  (  0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
166:     strbnd  ( 12.412, -17.160, -20.001)  ( 12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.017,  -0.014,  -0.020)  ( -0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.006,  -0.002,  -0.006)  ( -0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 14.019,  -3.165,   3.556)  ( 14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 18       (-47.306,  52.205,  38.542)  (-47.297,  52.209,  38.549)  ( 0.02,  0.01,  0.02)
166:     bond    (-26.884,  35.751,  12.130)  (-26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
166:     angle   ( -0.081,  -0.014,   0.005)  ( -0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
166:     strbnd  (-17.160,  20.000,  12.412)  (-17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.014,   0.019,  -0.017)  ( -0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.002,   0.006,  -0.006)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.165,  -3.556,  14.019)  ( -3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 19       (-23.913,   8.348,  75.919)  (-23.905,   8.353,  75.928)  ( 0.03,  0.06,  0.01)
166:     bond    ( -7.494,  14.575,  43.256)  ( -7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
166:     angle   ( -0.029,   0.011,  -0.077)  ( -0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( -7.698,   4.670,  27.650)  ( -7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.018,  -0.031,  -0.018)  ( -0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.006,  -0.012,  -0.004)  ( -0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -8.667, -10.865,   5.113)  ( -8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 20       ( 23.900,   8.348, -75.934)  ( 23.905,   8.353, -75.928)  ( 0.02,  0.06,  0.01)
166:     bond    (  7.487,  14.575, -43.264)  (  7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
166:     angle   (  0.026,   0.011,   0.075)  (  0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
166:     strbnd  (  7.696,   4.670, -27.652)  (  7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.018,  -0.031,   0.017)  (  0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.006,  -0.012,   0.004)  (  0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     (  8.667, -10.865,  -5.113)  (  8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 21       ( 38.542,  47.292, -52.215)  ( 38.549,  47.297, -52.209)  ( 0.02,  0.01,  0.01)
166:     bond    ( 12.130,  26.876, -35.755)  ( 12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
166:     angle   (  0.005,   0.078,   0.012)  (  0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
166:     strbnd  ( 12.412,  17.157, -20.001)  ( 12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.017,   0.014,  -0.020)  ( -0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.006,   0.002,  -0.006)  ( -0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 14.019,   3.164,   3.556)  ( 14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 22       ( 37.607,  -0.007,  70.694)  ( 37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
166:     bond    ( 31.159,  -0.003,  34.123)  ( 31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
166:     angle   (  0.050,  -0.002,   0.021)  (  0.051,   0.000,   0.022)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( 15.275,  -0.001,  24.741)  ( 15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.020,  -0.000,  -0.007)  (  0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.010,  -0.000,  -0.005)  (  0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -8.908,  -0.000,  11.821)  ( -8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 23       ( 52.205,  38.542, -47.306)  ( 52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
166:     bond    ( 35.751,  12.130, -26.884)  ( 35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
166:     angle   ( -0.014,   0.005,  -0.081)  ( -0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( 20.000,  12.412, -17.160)  ( 20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
166:     torsion (  0.019,  -0.017,  -0.014)  (  0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.006,  -0.006,  -0.002)  (  0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.556,  14.019,  -3.165)  ( -3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 24       ( -8.357, -75.934,  23.900)  ( -8.353, -75.928,  23.905)  ( 0.04,  0.01,  0.02)
166:     bond    (-14.578, -43.264,   7.487)  (-14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
166:     angle   ( -0.013,   0.075,   0.026)  ( -0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
166:     strbnd  ( -4.671, -27.652,   7.696)  ( -4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
166:     torsion (  0.030,   0.017,   0.018)  (  0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.012,   0.004,   0.006)  (  0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 10.865,  -5.113,   8.667)  ( 10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 25       (-23.913,  -8.357, -75.934)  (-23.905,  -8.353, -75.928)  ( 0.03,  0.04,  0.01)
166:     bond    ( -7.494, -14.578, -43.264)  ( -7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
166:     angle   ( -0.029,  -0.013,   0.075)  ( -0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( -7.698,  -4.671, -27.652)  ( -7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.018,   0.030,   0.017)  ( -0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.006,   0.012,   0.004)  ( -0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -8.667,  10.865,  -5.113)  ( -8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 26       (-47.306, -52.215,  38.542)  (-47.297, -52.209,  38.549)  ( 0.02,  0.01,  0.02)
166:     bond    (-26.884, -35.755,  12.130)  (-26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
166:     angle   ( -0.081,   0.012,   0.005)  ( -0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
166:     strbnd  (-17.160, -20.001,  12.412)  (-17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.014,  -0.020,  -0.017)  ( -0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.002,  -0.006,  -0.006)  ( -0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.165,   3.556,  14.019)  ( -3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 27       ( 52.205,  38.542,  47.292)  ( 52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
166:     bond    ( 35.751,  12.130,  26.876)  ( 35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
166:     angle   ( -0.014,   0.005,   0.078)  ( -0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( 20.000,  12.412,  17.157)  ( 20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
166:     torsion (  0.019,  -0.017,   0.014)  (  0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.006,  -0.006,   0.002)  (  0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.556,  14.019,   3.164)  ( -3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 28       (-70.710, -37.613,  -0.007)  (-70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
166:     bond    (-34.133, -31.161,  -0.003)  (-34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
166:     angle   ( -0.024,  -0.051,  -0.002)  ( -0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
166:     strbnd  (-24.743, -15.277,  -0.001)  (-24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.006,  -0.022,  -0.000)  (  0.006,  -0.021,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.005,  -0.010,  -0.000)  (  0.005,  -0.011,  -0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (-11.821,   8.908,  -0.000)  (-11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 29       ( 23.900,  -8.357, -75.934)  ( 23.905,  -8.353, -75.928)  ( 0.02,  0.04,  0.01)
166:     bond    (  7.487, -14.578, -43.264)  (  7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
166:     angle   (  0.026,  -0.013,   0.075)  (  0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
166:     strbnd  (  7.696,  -4.671, -27.652)  (  7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.018,   0.030,   0.017)  (  0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.006,   0.012,   0.004)  (  0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     (  8.667,  10.865,  -5.113)  (  8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 30       ( 70.694,  37.607,  -0.007)  ( 70.701,  37.611,   0.000)  ( 0.01,  0.01,  0.00)
166:     bond    ( 34.123,  31.159,  -0.003)  ( 34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
166:     angle   (  0.021,   0.050,  -0.002)  (  0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( 24.741,  15.275,  -0.001)  ( 24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.007,   0.020,  -0.000)  ( -0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.005,   0.010,  -0.000)  ( -0.005,   0.011,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 11.821,  -8.908,  -0.000)  ( 11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 31       ( 37.607,  -0.007, -70.710)  ( 37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
166:     bond    ( 31.159,  -0.003, -34.133)  ( 31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
166:     angle   (  0.050,  -0.002,  -0.024)  (  0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( 15.275,  -0.001, -24.743)  ( 15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.020,  -0.000,   0.006)  (  0.021,  -0.000,   0.006)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.010,  -0.000,   0.005)  (  0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -8.908,  -0.000, -11.821)  ( -8.908,   0.000, -11.821)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 32       ( -8.357,  75.919,  23.900)  ( -8.353,  75.928,  23.905)  ( 0.04,  0.01,  0.02)
166:     bond    (-14.578,  43.256,   7.487)  (-14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
166:     angle   ( -0.013,  -0.077,   0.026)  ( -0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
166:     strbnd  ( -4.671,  27.650,   7.696)  ( -4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
166:     torsion (  0.030,  -0.018,   0.018)  (  0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.012,  -0.004,   0.006)  (  0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 10.865,   5.113,   8.667)  ( 10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 33       (-23.913,  -8.357,  75.919)  (-23.905,  -8.353,  75.928)  ( 0.03,  0.04,  0.01)
166:     bond    ( -7.494, -14.578,  43.256)  ( -7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
166:     angle   ( -0.029,  -0.013,  -0.077)  ( -0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( -7.698,  -4.671,  27.650)  ( -7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.018,   0.030,  -0.018)  ( -0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.006,   0.012,  -0.004)  ( -0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -8.667,  10.865,   5.113)  ( -8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 34       ( 70.694, -37.613,  -0.007)  ( 70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
166:     bond    ( 34.123, -31.161,  -0.003)  ( 34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
166:     angle   (  0.021,  -0.051,  -0.002)  (  0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( 24.741, -15.277,  -0.001)  ( 24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.007,  -0.022,  -0.000)  ( -0.006,  -0.021,  -0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.005,  -0.010,  -0.000)  ( -0.005,  -0.011,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 11.821,   8.908,  -0.000)  ( 11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 35       (-52.215,  38.542, -47.306)  (-52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
166:     bond    (-35.755,  12.130, -26.884)  (-35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
166:     angle   (  0.012,   0.005,  -0.081)  (  0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
166:     strbnd  (-20.001,  12.412, -17.160)  (-20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
166:     torsion ( -0.020,  -0.017,  -0.014)  ( -0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.006,  -0.006,  -0.002)  ( -0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.556,  14.019,  -3.165)  (  3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 36       (-52.215,  38.542,  47.292)  (-52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
166:     bond    (-35.755,  12.130,  26.876)  (-35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
166:     angle   (  0.012,   0.005,   0.078)  (  0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
166:     strbnd  (-20.001,  12.412,  17.157)  (-20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
166:     torsion ( -0.020,  -0.017,   0.014)  ( -0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.006,  -0.006,   0.002)  ( -0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.556,  14.019,   3.164)  (  3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 37       (-37.613,  -0.007,  70.694)  (-37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
166:     bond    (-31.161,  -0.003,  34.123)  (-31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
166:     angle   ( -0.051,  -0.002,   0.021)  ( -0.051,  -0.000,   0.022)  ( 0.00,  0.00,  0.00)
166:     strbnd  (-15.277,  -0.001,  24.741)  (-15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.022,  -0.000,  -0.007)  ( -0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.010,  -0.000,  -0.005)  ( -0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (  8.908,  -0.000,  11.821)  (  8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 38       (-52.215, -38.554, -47.306)  (-52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
166:     bond    (-35.755, -12.136, -26.884)  (-35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
166:     angle   (  0.012,  -0.007,  -0.081)  (  0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
166:     strbnd  (-20.001, -12.414, -17.160)  (-20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
166:     torsion ( -0.020,   0.017,  -0.014)  ( -0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.006,   0.005,  -0.002)  ( -0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.556, -14.019,  -3.165)  (  3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 39       (-52.215, -38.554,  47.292)  (-52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
166:     bond    (-35.755, -12.136,  26.876)  (-35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
166:     angle   (  0.012,  -0.007,   0.078)  (  0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
166:     strbnd  (-20.001, -12.414,  17.157)  (-20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
166:     torsion ( -0.020,   0.017,   0.014)  ( -0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.006,   0.005,   0.002)  ( -0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.556, -14.019,   3.164)  (  3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 40       ( 23.900,  -8.357,  75.919)  ( 23.905,  -8.353,  75.928)  ( 0.02,  0.04,  0.01)
166:     bond    (  7.487, -14.578,  43.256)  (  7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
166:     angle   (  0.026,  -0.013,  -0.077)  (  0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
166:     strbnd  (  7.696,  -4.671,  27.650)  (  7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.018,   0.030,  -0.018)  (  0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.006,   0.012,  -0.004)  (  0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     (  8.667,  10.865,   5.113)  (  8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 41       (-54.913, -35.524, -24.139)  (-54.905, -35.518, -24.134)  ( 0.02,  0.02,  0.02)
166:     bond    (-26.884, -35.755, -12.136)  (-26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
166:     angle   (  8.310,   2.328,   1.428)  (  8.312,   2.330,   1.429)  ( 0.02,  0.05,  0.09)
166:     strbnd  (-33.157,  -3.794,  -2.400)  (-33.157,  -3.793,  -2.399)  ( 0.00,  0.02,  0.04)
166:     torsion ( -0.015,  -1.854,   2.983)  ( -0.015,  -1.853,   2.983)  ( 0.00,  0.03,  0.01)
166:     oop     ( -0.002,  -0.006,   0.005)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.165,   3.556, -14.019)  ( -3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 42       (  3.504,  53.443,  17.121)  (  3.509,  53.448,  17.126)  ( 0.15,  0.01,  0.02)
166:     bond    (-12.452,  26.530,  26.356)  (-12.448,  26.533,  26.357)  ( 0.04,  0.01,  0.01)
166:     angle   ( -9.977,  -5.385,  -2.072)  ( -9.975,  -5.383,  -2.071)  ( 0.02,  0.04,  0.05)
166:     strbnd  ( 29.601,  21.773,  10.437)  ( 29.601,  21.772,  10.438)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.442,   1.853,  -6.723)  (  1.442,   1.853,  -6.722)  ( 0.02,  0.02,  0.01)
166:     oop     (  0.004,   0.006,  -0.012)  (  0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.113,   8.667, -10.865)  ( -5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 43       ( 47.292, -52.215, -38.554)  ( 47.297, -52.209, -38.549)  ( 0.01,  0.01,  0.01)
166:     bond    ( 26.876, -35.755, -12.136)  ( 26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
166:     angle   (  0.078,   0.012,  -0.007)  (  0.079,   0.013,  -0.006)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( 17.157, -20.001, -12.414)  ( 17.159, -20.000, -12.413)  ( 0.01,  0.00,  0.01)
166:     torsion (  0.014,  -0.020,   0.017)  (  0.014,  -0.019,   0.017)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.002,  -0.006,   0.005)  (  0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.164,   3.556, -14.019)  (  3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 44       (  8.348,  75.919, -23.913)  (  8.353,  75.928, -23.905)  ( 0.06,  0.01,  0.03)
166:     bond    ( 14.575,  43.256,  -7.494)  ( 14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
166:     angle   (  0.011,  -0.077,  -0.029)  (  0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
166:     strbnd  (  4.670,  27.650,  -7.698)  (  4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.031,  -0.018,  -0.018)  ( -0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.012,  -0.004,  -0.006)  ( -0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (-10.865,   5.113,  -8.667)  (-10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 45       ( -8.357,  75.919, -23.913)  ( -8.353,  75.928, -23.905)  ( 0.04,  0.01,  0.03)
166:     bond    (-14.578,  43.256,  -7.494)  (-14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
166:     angle   ( -0.013,  -0.077,  -0.029)  ( -0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
166:     strbnd  ( -4.671,  27.650,  -7.698)  ( -4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
166:     torsion (  0.030,  -0.018,  -0.018)  (  0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.012,  -0.004,  -0.006)  (  0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 10.865,   5.113,  -8.667)  ( 10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 46       (  8.348, -75.934, -23.913)  (  8.353, -75.928, -23.905)  ( 0.06,  0.01,  0.03)
166:     bond    ( 14.575, -43.264,  -7.494)  ( 14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
166:     angle   (  0.011,   0.075,  -0.029)  (  0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
166:     strbnd  (  4.670, -27.652,  -7.698)  (  4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.031,   0.017,  -0.018)  ( -0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.012,   0.004,  -0.006)  ( -0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (-10.865,  -5.113,  -8.667)  (-10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 47       (-38.554, -47.306,  52.205)  (-38.549, -47.297,  52.209)  ( 0.01,  0.02,  0.01)
166:     bond    (-12.136, -26.884,  35.751)  (-12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
166:     angle   ( -0.007,  -0.081,  -0.014)  ( -0.006,  -0.079,  -0.013)  ( 0.00,  0.01,  0.00)
166:     strbnd  (-12.414, -17.160,  20.000)  (-12.413, -17.159,  20.000)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.017,  -0.014,   0.019)  (  0.017,  -0.014,   0.019)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.005,  -0.002,   0.006)  (  0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (-14.019,  -3.165,  -3.556)  (-14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 48       (-37.613,  -0.007, -70.710)  (-37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
166:     bond    (-31.161,  -0.003, -34.133)  (-31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
166:     angle   ( -0.051,  -0.002,  -0.024)  ( -0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
166:     strbnd  (-15.277,  -0.001, -24.743)  (-15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.022,  -0.000,   0.006)  ( -0.021,   0.000,   0.006)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.010,  -0.000,   0.005)  ( -0.011,   0.000,   0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (  8.908,  -0.000, -11.821)  (  8.908,  -0.000, -11.821)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 49       ( 23.900,   8.348,  75.919)  ( 23.905,   8.353,  75.928)  ( 0.02,  0.06,  0.01)
166:     bond    (  7.487,  14.575,  43.256)  (  7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
166:     angle   (  0.026,   0.011,  -0.077)  (  0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
166:     strbnd  (  7.696,   4.670,  27.650)  (  7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.018,  -0.031,  -0.018)  (  0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.006,  -0.012,  -0.004)  (  0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     (  8.667, -10.865,   5.113)  (  8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 50       (-54.913,  35.514, -24.139)  (-54.905,  35.518, -24.134)  ( 0.02,  0.01,  0.02)
166:     bond    (-26.884,  35.751, -12.136)  (-26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
166:     angle   (  8.310,  -2.331,   1.428)  (  8.312,  -2.330,   1.429)  ( 0.02,  0.05,  0.09)
166:     strbnd  (-33.157,   3.792,  -2.400)  (-33.157,   3.793,  -2.399)  ( 0.00,  0.02,  0.04)
166:     torsion ( -0.015,   1.852,   2.983)  ( -0.015,   1.853,   2.983)  ( 0.00,  0.03,  0.01)
166:     oop     ( -0.002,   0.006,   0.005)  ( -0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.165,  -3.556, -14.019)  ( -3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 51       ( -8.357, -75.934, -23.913)  ( -8.353, -75.928, -23.905)  ( 0.04,  0.01,  0.03)
166:     bond    (-14.578, -43.264,  -7.494)  (-14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
166:     angle   ( -0.013,   0.075,  -0.029)  ( -0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
166:     strbnd  ( -4.671, -27.652,  -7.698)  ( -4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
166:     torsion (  0.030,   0.017,  -0.018)  (  0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.012,   0.004,  -0.006)  (  0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 10.865,  -5.113,  -8.667)  ( 10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 52       ( 37.554, -49.775,  56.098)  ( 37.561, -49.767,  56.102)  ( 0.02,  0.02,  0.01)
166:     bond    ( 12.130, -26.884,  35.751)  ( 12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
166:     angle   (  1.671,   3.010,   0.624)  (  1.672,   3.012,   0.625)  ( 0.08,  0.05,  0.07)
166:     strbnd  ( 11.182, -22.719,  19.528)  ( 11.183, -22.718,  19.529)  ( 0.01,  0.00,  0.00)
166:     torsion ( -1.441,  -0.016,   3.746)  ( -1.441,  -0.015,   3.746)  ( 0.03,  0.00,  0.02)
166:     oop     ( -0.006,  -0.002,   0.006)  ( -0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 14.019,  -3.165,  -3.556)  ( 14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 53       ( 57.517,  33.960,  18.680)  ( 57.526,  33.965,  18.684)  ( 0.02,  0.02,  0.02)
166:     bond    ( 43.256,   7.487,  14.575)  ( 43.260,   7.491,  14.577)  ( 0.01,  0.04,  0.01)
166:     angle   ( -5.272,  -6.052,  -3.749)  ( -5.270,  -6.051,  -3.748)  ( 0.03,  0.03,  0.03)
166:     strbnd  ( 14.441,  25.672,  15.790)  ( 14.443,  25.673,  15.791)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.018,  -1.820,   2.940)  ( -0.018,  -1.820,   2.940)  ( 0.00,  0.02,  0.02)
166:     oop     ( -0.004,   0.006,  -0.012)  ( -0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     (  5.113,   8.667, -10.865)  (  5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 54       (-52.445,  20.194,   0.196)  (-52.439,  20.201,   0.199)  ( 0.01,  0.03,  0.06)
166:     bond    (-30.817,  15.080,  19.379)  (-30.813,  15.086,  19.380)  ( 0.01,  0.03,  0.00)
166:     angle   (  5.186,   6.102,   3.821)  (  5.188,   6.103,   3.822)  ( 0.04,  0.03,  0.02)
166:     strbnd  (-26.815, -14.634, -11.154)  (-26.815, -14.635, -11.154)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.000,   1.831,  -2.952)  (  0.001,   1.831,  -2.951)  ( 0.00,  0.01,  0.02)
166:     oop     ( -0.000,  -0.005,   0.010)  (  0.000,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.000,  11.821,  -8.908)  (  0.000,  11.821,  -8.908)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 55       ( 37.554,  49.762,  56.098)  ( 37.561,  49.767,  56.102)  ( 0.02,  0.01,  0.01)
166:     bond    ( 12.130,  26.876,  35.751)  ( 12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
166:     angle   (  1.671,  -3.013,   0.624)  (  1.672,  -3.012,   0.625)  ( 0.08,  0.05,  0.07)
166:     strbnd  ( 11.182,  22.717,  19.528)  ( 11.183,  22.718,  19.529)  ( 0.01,  0.00,  0.00)
166:     torsion ( -1.441,   0.015,   3.746)  ( -1.441,   0.015,   3.746)  ( 0.03,  0.00,  0.02)
166:     oop     ( -0.006,   0.002,   0.006)  ( -0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 14.019,   3.164,  -3.556)  ( 14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 56       (-38.554,  47.292,  52.205)  (-38.549,  47.297,  52.209)  ( 0.01,  0.01,  0.01)
166:     bond    (-12.136,  26.876,  35.751)  (-12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
166:     angle   ( -0.007,   0.078,  -0.014)  ( -0.006,   0.079,  -0.013)  ( 0.00,  0.01,  0.00)
166:     strbnd  (-12.414,  17.157,  20.000)  (-12.413,  17.159,  20.000)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.017,   0.014,   0.019)  (  0.017,   0.014,   0.019)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.005,   0.002,   0.006)  (  0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (-14.019,   3.164,  -3.556)  (-14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 29       ( -0.010,   0.009,   0.006)  ( -0.009,   0.011,   0.007)  ( 0.00,  0.00,  0.00)
167:     bond    ( -1.360,   1.906,  -0.984)  ( -1.359,   1.908,  -0.983)  ( 0.07,  0.10,  0.05)
167:     angle   ( -1.796,  -0.247,   2.003)  ( -1.796,  -0.247,   2.004)  ( 0.02,  0.01,  0.02)
167:     strbnd  (  0.022,  -0.940,   0.574)  (  0.022,  -0.940,   0.574)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.230,  -0.392,  -1.079)  (  0.230,  -0.392,  -1.079)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  2.893,  -0.319,  -0.508)  (  2.893,  -0.319,  -0.508)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 30       ( -0.034,  -0.020,   0.025)  ( -0.032,  -0.019,   0.027)  ( 0.01,  0.00,  0.00)
167:     bond    ( -1.739,  -1.521,   1.401)  ( -1.737,  -1.520,   1.402)  ( 0.08,  0.07,  0.07)
167:     angle   ( -1.608,   1.824,  -0.015)  ( -1.608,   1.824,  -0.015)  ( 0.02,  0.02,  0.00)
167:     strbnd  (  0.184,   0.874,  -0.682)  (  0.184,   0.874,  -0.682)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.081,  -0.467,  -0.406)  (  0.081,  -0.467,  -0.406)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  3.048,  -0.731,  -0.273)  (  3.048,  -0.731,  -0.273)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 31       (  0.009,  -0.001,   0.008)  (  0.010,   0.000,   0.009)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.898,  -0.437,  -0.824)  ( -0.896,  -0.436,  -0.823)  ( 0.15,  0.02,  0.11)
167:     angle   (  0.051,   0.059,  -0.088)  (  0.051,   0.060,  -0.088)  ( 0.00,  0.00,  0.00)
167:     strbnd  ( -0.056,   0.008,  -0.026)  ( -0.056,   0.008,  -0.026)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.032,  -0.088,   0.081)  ( -0.032,  -0.087,   0.081)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.943,   0.456,   0.865)  (  0.943,   0.456,   0.865)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: ok 14 # gradients 
167: ok 15 # energy 
167: ----------------------------------------------------------------------------------------
167:                                                                                         
167:   VALIDATE GRADIENTS : vuwxug.xyz
167:                                                                                         
167:                                                                                         
167: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
167: ----------------------------------------------------------------------------------------
167:  1       (  3.869,   2.130,  -0.620)  (  3.613,   1.990,  -0.587)  ( 6.61,  6.59,  2.03)
167:     bond    (  4.935,  -9.109,  -1.104)  (  4.935,  -9.107,  -1.104)  ( 0.02,  0.03,  0.01)
167:     angle   ( -2.548,  -2.956,  12.992)  ( -2.548,  -2.956,  12.993)  ( 0.00,  0.00,  0.01)
167:     strbnd  (  3.655,  -7.443,   0.124)  (  3.655,  -7.443,   0.124)  ( 0.00,  0.00,  0.00)
167:     torsion (  4.665,   2.461,   0.552)  (  4.665,   2.461,   0.552)  ( 0.00,  0.00,  0.00)
167:     oop     (  1.651,   0.927,  -0.264)  (  1.394,   0.784,  -0.232)  (15.54, 13.24,  0.84)
167:     vdw     ( -2.138,   3.876,  -4.785)  ( -2.138,   3.876,  -4.785)  ( 0.00,  0.00,  0.00)
167:     electro ( -6.351,  14.374,  -8.135)  ( -6.351,  14.374,  -8.135)  ( 0.00,  0.00,  0.00)
167:  2       (  4.195,   1.244,  -0.194)  (  3.655,   1.086,  -0.159)  (12.86, 12.64,  0.68)
167:     bond    (  6.117, -25.834, -17.177)  (  6.117, -25.831, -17.166)  ( 0.01,  0.01,  0.06)
167:     angle   ( -9.069,  20.562,  11.811)  ( -9.068,  20.564,  11.813)  ( 0.00,  0.01,  0.02)
167:     strbnd  ( -0.570,   2.942,  11.231)  ( -0.570,   2.942,  11.229)  ( 0.00,  0.01,  0.02)
167:     torsion (  5.123,   1.707,  -0.094)  (  5.124,   1.707,  -0.094)  ( 0.01,  0.00,  0.00)
167:     oop     (  3.384,   0.966,  -0.184)  (  2.844,   0.804,  -0.160)  (15.97, 15.69,  0.44)
167:     vdw     ( -0.760,   1.774,  -1.397)  ( -0.760,   1.774,  -1.397)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.031,  -0.874,  -4.384)  ( -0.031,  -0.874,  -4.384)  ( 0.00,  0.00,  0.00)
167:  3       (-13.485,  -5.099,   2.472)  (-12.579,  -4.741,   2.343)  ( 6.72,  7.01,  5.25)
167:     bond    ( -0.092,  -4.505,  20.203)  ( -0.091,  -4.501,  20.209)  ( 0.01,  0.11,  0.03)
167:     angle   ( 15.243, -23.754, -22.274)  ( 15.243, -23.753, -22.272)  ( 0.00,  0.01,  0.01)
167:     strbnd  ( -1.022,   1.368,   2.985)  ( -1.022,   1.367,   2.985)  ( 0.02,  0.04,  0.02)
167:     torsion (-13.583,  -4.422,   0.322)  (-13.582,  -4.422,   0.322)  ( 0.00,  0.00,  0.00)
167:     oop     ( -6.172,  -2.314,   1.085)  ( -5.268,  -1.962,   0.948)  (14.65, 15.20, 12.64)
167:     vdw     ( -1.549,   6.037,   1.007)  ( -1.549,   6.037,   1.007)  ( 0.00,  0.00,  0.00)
167:     electro ( -6.310,  22.492,  -0.857)  ( -6.310,  22.492,  -0.857)  ( 0.00,  0.00,  0.00)
167:  4       (  0.015,   0.009,  -0.021)  (  0.130,   0.041,  -0.020)  ( 0.18,  0.03,  0.00)
167:     bond    (  0.074,  -3.835, -13.494)  (  0.074,  -3.834, -13.485)  ( 0.00,  0.02,  0.06)
167:     angle   (  0.976,  -3.230,   0.924)  (  0.976,  -3.229,   0.924)  ( 0.00,  0.02,  0.01)
167:     strbnd  ( -0.552,   0.029,  -7.860)  ( -0.552,   0.029,  -7.860)  ( 0.00,  0.00,  0.00)
167:     torsion ( -1.551,  -0.406,   0.107)  ( -1.551,  -0.406,   0.107)  ( 0.01,  0.00,  0.00)
167:     oop     ( -0.503,  -0.135,   0.036)  ( -0.388,  -0.104,   0.028)  ( 5.79,  0.41,  0.03)
167:     vdw     (  0.515,   2.328,   5.755)  (  0.515,   2.328,   5.755)  ( 0.00,  0.01,  0.00)
167:     electro (  1.057,   5.257,  14.512)  (  1.057,   5.257,  14.512)  ( 0.00,  0.00,  0.00)
167:  5       (  5.402,   1.718,  -1.674)  (  5.102,   1.621,  -1.576)  ( 5.55,  5.65,  5.91)
167:     bond    (  0.018,   0.073,   0.129)  (  0.018,   0.074,   0.133)  ( 0.00,  0.01,  0.05)
167:     angle   ( -4.844,   9.643,  -4.711)  ( -4.844,   9.644,  -4.711)  ( 0.00,  0.01,  0.00)
167:     strbnd  ( -0.264,   0.055,   0.251)  ( -0.264,   0.055,   0.251)  ( 0.00,  0.00,  0.00)
167:     torsion (  4.479,   0.424,  -0.834)  (  4.479,   0.424,  -0.834)  ( 0.00,  0.00,  0.00)
167:     oop     (  2.303,   0.738,  -0.718)  (  2.003,   0.639,  -0.623)  (13.05,  7.29,  6.82)
167:     vdw     ( -0.672,   1.547,  -1.346)  ( -0.672,   1.547,  -1.346)  ( 0.00,  0.00,  0.00)
167:     electro (  4.382, -10.762,   5.553)  (  4.382, -10.762,   5.553)  ( 0.00,  0.00,  0.00)
167:  6       ( -4.199,  -1.254,   0.172)  ( -3.655,  -1.086,   0.159)  (12.96, 13.38,  0.22)
167:     bond    ( -6.118,  25.827,  17.156)  ( -6.117,  25.831,  17.166)  ( 0.01,  0.01,  0.06)
167:     angle   (  9.068, -20.566, -11.815)  (  9.068, -20.564, -11.813)  ( 0.00,  0.01,  0.02)
167:     strbnd  (  0.570,  -2.941, -11.227)  (  0.570,  -2.942, -11.229)  ( 0.00,  0.01,  0.02)
167:     torsion ( -5.124,  -1.707,   0.094)  ( -5.124,  -1.707,   0.094)  ( 0.01,  0.00,  0.00)
167:     oop     ( -3.387,  -0.966,   0.184)  ( -2.844,  -0.804,   0.160)  (16.04, 15.71,  0.44)
167:     vdw     (  0.760,  -1.774,   1.397)  (  0.760,  -1.774,   1.397)  ( 0.00,  0.00,  0.00)
167:     electro (  0.031,   0.874,   4.384)  (  0.031,   0.874,   4.384)  ( 0.00,  0.00,  0.00)
167:  7       ( 13.481,   5.087,  -2.487)  ( 12.579,   4.741,  -2.343)  ( 6.69,  6.79,  5.82)
167:     bond    (  0.090,   4.496, -20.215)  (  0.091,   4.501, -20.209)  ( 0.01,  0.11,  0.03)
167:     angle   (-15.244,  23.751,  22.270)  (-15.243,  23.753,  22.272)  ( 0.00,  0.01,  0.01)
167:     strbnd  (  1.022,  -1.367,  -2.985)  (  1.022,  -1.367,  -2.985)  ( 0.02,  0.04,  0.02)
167:     torsion ( 13.582,   4.422,  -0.322)  ( 13.582,   4.422,  -0.322)  ( 0.00,  0.00,  0.00)
167:     oop     (  6.172,   2.314,  -1.085)  (  5.268,   1.962,  -0.948)  (14.64, 15.20, 12.65)
167:     vdw     (  1.549,  -6.037,  -1.007)  (  1.549,  -6.037,  -1.007)  ( 0.00,  0.00,  0.00)
167:     electro (  6.310, -22.492,   0.857)  (  6.310, -22.492,   0.857)  ( 0.00,  0.00,  0.00)
167:  8       ( -0.016,  -0.012,   0.004)  ( -0.130,  -0.041,   0.020)  ( 0.18,  0.04,  0.01)
167:     bond    ( -0.074,   3.834,  13.477)  ( -0.074,   3.834,  13.485)  ( 0.00,  0.02,  0.06)
167:     angle   ( -0.976,   3.229,  -0.924)  ( -0.976,   3.229,  -0.924)  ( 0.00,  0.02,  0.01)
167:     strbnd  (  0.552,  -0.030,   7.860)  (  0.552,  -0.029,   7.860)  ( 0.00,  0.00,  0.00)
167:     torsion (  1.551,   0.406,  -0.107)  (  1.551,   0.406,  -0.107)  ( 0.01,  0.00,  0.00)
167:     oop     (  0.503,   0.135,  -0.036)  (  0.388,   0.104,  -0.028)  ( 5.76,  0.41,  0.03)
167:     vdw     ( -0.515,  -2.328,  -5.755)  ( -0.515,  -2.328,  -5.755)  ( 0.00,  0.01,  0.00)
167:     electro ( -1.057,  -5.257, -14.512)  ( -1.057,  -5.257, -14.512)  ( 0.00,  0.00,  0.00)
167:  9       ( -3.870,  -2.135,   0.618)  ( -3.613,  -1.990,   0.587)  ( 6.65,  6.81,  1.92)
167:     bond    ( -4.936,   9.104,   1.104)  ( -4.935,   9.107,   1.104)  ( 0.02,  0.03,  0.01)
167:     angle   (  2.548,   2.956, -12.993)  (  2.548,   2.956, -12.993)  ( 0.00,  0.00,  0.01)
167:     strbnd  ( -3.655,   7.442,  -0.124)  ( -3.655,   7.443,  -0.124)  ( 0.00,  0.00,  0.00)
167:     torsion ( -4.666,  -2.462,  -0.552)  ( -4.665,  -2.461,  -0.552)  ( 0.00,  0.00,  0.00)
167:     oop     ( -1.651,  -0.927,   0.264)  ( -1.394,  -0.784,   0.232)  (15.54, 13.24,  0.84)
167:     vdw     (  2.138,  -3.876,   4.785)  (  2.138,  -3.876,   4.785)  ( 0.00,  0.00,  0.00)
167:     electro (  6.351, -14.374,   8.135)  (  6.351, -14.374,   8.135)  ( 0.00,  0.00,  0.00)
167: 10       ( -5.402,  -1.721,   1.667)  ( -5.102,  -1.621,   1.576)  ( 5.57,  5.84,  5.47)
167:     bond    ( -0.018,  -0.075,  -0.136)  ( -0.018,  -0.074,  -0.133)  ( 0.00,  0.01,  0.05)
167:     angle   (  4.844,  -9.644,   4.710)  (  4.844,  -9.644,   4.711)  ( 0.00,  0.01,  0.00)
167:     strbnd  (  0.264,  -0.055,  -0.251)  (  0.264,  -0.055,  -0.251)  ( 0.00,  0.00,  0.00)
167:     torsion ( -4.480,  -0.424,   0.834)  ( -4.479,  -0.424,   0.834)  ( 0.00,  0.00,  0.00)
167:     oop     ( -2.303,  -0.738,   0.718)  ( -2.003,  -0.639,   0.623)  (13.05,  7.29,  6.82)
167:     vdw     (  0.672,  -1.547,   1.346)  (  0.672,  -1.547,   1.346)  ( 0.00,  0.00,  0.00)
167:     electro ( -4.382,  10.762,  -5.553)  ( -4.382,  10.762,  -5.553)  ( 0.00,  0.00,  0.00)
167: ok 16 # gradients 
177/208 Test #167: test_ffmmff94_4 ..................   Passed    1.04 sec
168:     strbnd  ( -0.325,   0.488,   0.279)  ( -0.325,   0.488,   0.279)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.294,   0.792,   0.827)  (  1.294,   0.792,   0.827)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.153,  -3.573,  -1.933)  ( -0.153,  -3.573,  -1.933)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 63       ( -0.297,   0.195,   0.097)  ( -0.296,   0.196,   0.100)  ( 0.03,  0.01,  0.03)
168:     bond    (  0.610,   0.315,   1.633)  (  0.610,   0.315,   1.636)  ( 0.02,  0.00,  0.18)
168:     angle   ( -1.418,   1.386,   0.261)  ( -1.418,   1.387,   0.261)  ( 0.03,  0.03,  0.00)
168:     strbnd  ( -0.282,   0.382,   0.365)  ( -0.282,   0.382,   0.365)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.426,   0.990,  -0.350)  (  0.426,   0.990,  -0.350)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.367,  -2.878,  -1.812)  (  0.367,  -2.878,  -1.812)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 64       (  1.903,   0.126,  -0.903)  (  1.903,   0.131,  -0.902)  ( 0.00,  0.07,  0.08)
168:     bond    (  0.052,   0.524,  -0.141)  (  0.052,   0.529,  -0.141)  ( 0.00,  0.27,  0.01)
168:     angle   (  0.150,  -0.836,  -3.088)  (  0.150,  -0.836,  -3.088)  ( 0.00,  0.00,  0.02)
168:     strbnd  ( -0.049,  -0.575,   0.050)  ( -0.049,  -0.575,   0.050)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.430,  -0.034,   0.030)  (  0.430,  -0.034,   0.030)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.052,   1.173,   1.899)  (  0.052,   1.173,   1.900)  ( 0.00,  0.00,  0.00)
168:     electro (  1.267,  -0.125,   0.347)  (  1.267,  -0.125,   0.347)  ( 0.00,  0.00,  0.00)
168: 65       (-13.463,  -0.711,   6.828)  (-13.458,  -0.711,   6.829)  ( 0.04,  0.02,  0.01)
168:     bond    (-17.085,  -2.760,   0.383)  (-17.080,  -2.760,   0.384)  ( 0.03,  0.01,  0.00)
168:     angle   (  0.082,  -0.169,   2.424)  (  0.082,  -0.169,   2.425)  ( 0.00,  0.00,  0.02)
168:     strbnd  (  0.390,   0.135,  -0.958)  (  0.390,   0.135,  -0.958)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.084,   0.524,   0.039)  ( -0.084,   0.524,   0.039)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.216,   1.133,   7.265)  ( -1.216,   1.133,   7.265)  ( 0.00,  0.00,  0.00)
168:     electro (  4.450,   0.427,  -2.326)  (  4.450,   0.427,  -2.326)  ( 0.00,  0.00,  0.00)
168: ok 14 # gradients 
168: ok 15 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       ( -1.742,  28.428,  11.907)  ( -1.764,  28.344,  12.060)  ( 1.23,  0.30,  1.28)
168:     bond    (-17.707,   8.335,   2.191)  (-17.700,   8.340,   2.193)  ( 0.04,  0.06,  0.09)
168:     angle   ( 17.323,  25.618,  18.944)  ( 17.325,  25.620,  18.945)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -1.493,  -7.945,  -5.133)  ( -1.494,  -7.946,  -5.134)  ( 0.06,  0.01,  0.00)
168:     torsion (  0.601,   2.014,  -3.362)  (  0.601,   2.014,  -3.362)  ( 0.00,  0.01,  0.02)
168:     oop     (  0.117,   0.376,  -0.635)  (  0.088,   0.286,  -0.485)  ( 0.35,  3.38,  9.52)
168:     vdw     ( -0.601,  -0.190,  -0.199)  ( -0.601,  -0.190,  -0.199)  ( 0.00,  0.00,  0.00)
168:     electro (  0.018,   0.220,   0.101)  (  0.018,   0.220,   0.101)  ( 0.00,  0.00,  0.00)
168:  2       (-43.349,  -2.957,  -5.099)  (-43.316,  -2.878,  -5.218)  ( 0.08,  2.69,  2.34)
168:     bond    (-26.717,  -2.707,  -7.585)  (-26.711,  -2.702,  -7.583)  ( 0.02,  0.19,  0.02)
168:     angle   (-14.462,  -4.144,  -5.035)  (-14.460,  -4.143,  -5.035)  ( 0.01,  0.04,  0.01)
168:     strbnd  (  0.308,   7.811,   4.693)  (  0.308,   7.811,   4.693)  ( 0.01,  0.01,  0.01)
168:     torsion ( -0.735,  -2.026,   3.413)  ( -0.735,  -2.026,   3.414)  ( 0.00,  0.02,  0.03)
168:     oop     ( -0.154,  -0.448,   0.744)  ( -0.128,  -0.375,   0.621)  ( 0.40,  3.28,  9.11)
168:     vdw     ( -1.663,  -1.307,  -1.215)  ( -1.663,  -1.307,  -1.215)  ( 0.00,  0.00,  0.00)
168:     electro (  0.073,  -0.137,  -0.114)  (  0.073,  -0.137,  -0.114)  ( 0.00,  0.00,  0.00)
168:  3       ( 26.528,  25.489,  14.637)  ( 26.499,  25.389,  14.815)  ( 0.11,  0.39,  1.22)
168:     bond    ( 32.244,   7.181,  11.384)  ( 32.249,   7.186,  11.386)  ( 0.02,  0.06,  0.02)
168:     angle   ( -9.397,   6.895,   4.311)  ( -9.395,   6.897,   4.311)  ( 0.02,  0.02,  0.02)
168:     strbnd  (  5.047,   6.760,   5.135)  (  5.046,   6.759,   5.135)  ( 0.01,  0.01,  0.00)
168:     torsion (  1.173,   3.527,  -5.707)  (  1.173,   3.527,  -5.706)  ( 0.00,  0.01,  0.01)
168:     oop     (  0.194,   0.561,  -0.910)  (  0.158,   0.454,  -0.735)  ( 0.69,  5.96, 15.93)
168:     vdw     ( -2.822,   0.795,   0.719)  ( -2.822,   0.795,   0.719)  ( 0.00,  0.00,  0.00)
168:     electro (  0.089,  -0.229,  -0.294)  (  0.089,  -0.229,  -0.294)  ( 0.00,  0.00,  0.00)
168:  4       ( 30.352,   2.828,   6.301)  ( 30.363,   2.860,   6.551)  ( 0.04,  1.11,  3.98)
168:     bond    ( 44.923,   3.054,  10.850)  ( 44.929,   3.058,  10.852)  ( 0.01,  0.15,  0.02)
168:     angle   (-11.137,   3.853,   1.631)  (-11.135,   3.855,   1.632)  ( 0.02,  0.05,  0.04)
168:     strbnd  ( -0.803,  -4.122,  -2.305)  ( -0.804,  -4.123,  -2.306)  ( 0.08,  0.01,  0.01)
168:     torsion ( -0.049,  -0.229,  -1.535)  ( -0.049,  -0.229,  -1.535)  ( 0.00,  0.01,  0.05)
168:     oop     ( -0.023,  -0.118,  -0.821)  ( -0.020,  -0.093,  -0.574)  ( 0.01,  0.29, 20.32)
168:     vdw     ( -2.511,   0.309,  -1.489)  ( -2.511,   0.309,  -1.489)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.048,   0.082,  -0.029)  ( -0.048,   0.082,  -0.029)  ( 0.00,  0.00,  0.00)
168:  5       ( -7.959, -75.966, -41.392)  ( -7.969, -76.008, -41.306)  ( 0.13,  0.05,  0.21)
168:     bond    (  8.045, -42.089, -24.804)  (  8.052, -42.083, -24.802)  ( 0.09,  0.01,  0.01)
168:     angle   (-16.828, -30.092, -21.409)  (-16.826, -30.090, -21.409)  ( 0.01,  0.01,  0.00)
168:     strbnd  (  5.512,  -1.560,   0.571)  (  5.511,  -1.560,   0.570)  ( 0.02,  0.01,  0.01)
168:     torsion ( -1.167,  -3.866,   6.122)  ( -1.167,  -3.866,   6.123)  ( 0.00,  0.01,  0.01)
168:     oop     (  0.067,   0.201,  -0.328)  (  0.049,   0.152,  -0.246)  ( 0.12,  0.98,  2.70)
168:     vdw     ( -3.591,   1.489,  -1.515)  ( -3.591,   1.489,  -1.515)  ( 0.00,  0.00,  0.00)
168:     electro (  0.003,  -0.050,  -0.029)  (  0.003,  -0.050,  -0.029)  ( 0.00,  0.00,  0.00)
168:  6       (-30.275,  -4.989,  10.254)  (-30.271,  -4.995,   9.731)  ( 0.01,  0.12,  5.10)
168:     bond    (-46.066,  -5.896,   0.687)  (-46.059,  -5.889,   0.688)  ( 0.01,  0.11,  0.01)
168:     angle   ( 11.582,  -5.904,   1.352)  ( 11.584,  -5.902,   1.352)  ( 0.02,  0.04,  0.01)
168:     strbnd  (  1.321,   5.298,   0.111)  (  1.319,   5.297,   0.111)  ( 0.08,  0.01,  0.00)
168:     torsion (  0.044,   1.140,   6.540)  (  0.044,   1.140,   6.541)  ( 0.00,  0.01,  0.02)
168:     oop     ( -0.012,   0.131,   2.561)  ( -0.015,   0.116,   2.037)  ( 0.00,  0.19, 20.47)
168:     vdw     (  2.802,   0.309,  -0.945)  (  2.802,   0.309,  -0.945)  ( 0.00,  0.00,  0.00)
168:     electro (  0.053,  -0.066,  -0.053)  (  0.053,  -0.066,  -0.053)  ( 0.00,  0.00,  0.00)
168:  7       ( 12.681,  86.824, -19.019)  ( 12.702,  86.782, -19.289)  ( 0.17,  0.05,  1.42)
168:     bond    ( -5.030,  48.598,  -6.009)  ( -5.023,  48.605,  -6.009)  ( 0.14,  0.01,  0.00)
168:     angle   ( 20.610,  38.351,  -5.278)  ( 20.612,  38.353,  -5.277)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -7.020,   1.621,  -1.168)  ( -7.021,   1.621,  -1.168)  ( 0.02,  0.02,  0.01)
168:     torsion (  0.098,  -1.110,  -6.501)  (  0.098,  -1.110,  -6.500)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.002,   0.211,   1.179)  (  0.015,   0.160,   0.909)  ( 0.00,  1.08, 22.95)
168:     vdw     (  4.021,  -0.905,  -1.238)  (  4.021,  -0.905,  -1.238)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.001,   0.057,  -0.004)  ( -0.001,   0.057,  -0.004)  ( 0.00,  0.00,  0.00)
168:  8       ( -0.291, -31.753,   6.515)  ( -0.281, -31.746,   6.468)  ( 0.30,  0.02,  0.71)
168:     bond    ( 17.320,  -9.193,   0.193)  ( 17.327,  -9.187,   0.193)  ( 0.04,  0.07,  0.00)
168:     angle   (-21.343, -31.556,   3.930)  (-21.342, -31.553,   3.930)  ( 0.01,  0.01,  0.00)
168:     strbnd  (  3.117,   8.773,  -0.540)  (  3.116,   8.771,  -0.540)  ( 0.03,  0.01,  0.00)
168:     torsion (  0.062,   0.254,   3.026)  (  0.062,   0.254,   3.027)  ( 0.00,  0.00,  0.04)
168:     oop     ( -0.019,  -0.027,  -0.085)  ( -0.016,  -0.028,  -0.132)  ( 0.00,  0.00,  0.40)
168:     vdw     (  0.599,   0.238,  -0.003)  (  0.599,   0.238,  -0.003)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.028,  -0.242,  -0.006)  ( -0.028,  -0.242,  -0.006)  ( 0.00,  0.00,  0.00)
168:  9       ( 44.982,   3.387,   2.990)  ( 44.985,   3.386,   2.902)  ( 0.01,  0.03,  2.94)
168:     bond    ( 27.504,   4.642,  -1.536)  ( 27.511,   4.648,  -1.536)  ( 0.02,  0.14,  0.00)
168:     angle   ( 15.991,   5.308,  -0.805)  ( 15.993,   5.309,  -0.804)  ( 0.01,  0.04,  0.01)
168:     strbnd  ( -0.547,  -8.870,   0.817)  ( -0.547,  -8.870,   0.817)  ( 0.03,  0.01,  0.00)
168:     torsion (  0.167,   0.437,   4.249)  (  0.167,   0.437,   4.250)  ( 0.00,  0.00,  0.03)
168:     oop     (  0.027,   0.073,   0.647)  (  0.022,   0.064,   0.558)  ( 0.01,  0.07,  5.77)
168:     vdw     (  1.899,   1.622,  -0.325)  (  1.899,   1.622,  -0.325)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.060,   0.176,  -0.057)  ( -0.060,   0.176,  -0.057)  ( 0.00,  0.00,  0.00)
168: 10       (-30.774, -26.770,  -2.379)  (-30.760, -26.705,  -1.847)  ( 0.04,  0.25, 22.36)
168:     bond    (-33.338, -10.219,   2.044)  (-33.333, -10.213,   2.044)  ( 0.02,  0.06,  0.00)
168:     angle   (  5.728,  -6.663,   4.844)  (  5.730,  -6.662,   4.844)  ( 0.04,  0.03,  0.01)
168:     strbnd  ( -5.454,  -7.832,   0.921)  ( -5.455,  -7.833,   0.921)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.215,  -0.970,  -8.075)  ( -0.215,  -0.970,  -8.074)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.036,  -0.302,  -2.716)  ( -0.029,  -0.244,  -2.185)  ( 0.02,  1.75, 19.54)
168:     vdw     (  2.593,  -1.118,   0.786)  (  2.593,  -1.118,   0.786)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.051,   0.334,  -0.183)  ( -0.051,   0.334,  -0.183)  ( 0.00,  0.00,  0.00)
168: 11       (-26.667, -22.028,   3.570)  (-26.663, -22.040,   3.403)  ( 0.01,  0.05,  4.70)
168:     bond    ( -1.917,  -0.727,  -0.074)  ( -1.913,  -0.722,  -0.070)  ( 0.20,  0.32,  0.03)
168:     angle   (-29.136, -26.052,   2.735)  (-29.134, -26.050,   2.736)  ( 0.01,  0.01,  0.05)
168:     strbnd  (  4.010,   7.688,  -1.200)  (  4.009,   7.687,  -1.200)  ( 0.01,  0.02,  0.04)
168:     torsion (  0.015,   0.059,   0.642)  (  0.015,   0.059,   0.642)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.009,   0.064,   0.656)  (  0.007,   0.046,   0.483)  ( 0.00,  0.11, 11.35)
168:     vdw     (  0.354,  -2.969,   0.608)  (  0.354,  -2.969,   0.608)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.002,  -0.091,   0.203)  ( -0.002,  -0.091,   0.203)  ( 0.00,  0.00,  0.00)
168: 12       ( -2.870,   3.726,  -2.257)  ( -2.866,   3.733,  -2.186)  ( 0.13,  0.18,  3.13)
168:     bond    ( -1.203,  -0.681,   0.064)  ( -1.200,  -0.680,   0.064)  ( 0.25,  0.07,  0.00)
168:     angle   ( -3.337,   5.858,  -0.289)  ( -3.337,   5.858,  -0.289)  ( 0.00,  0.01,  0.00)
168:     strbnd  (  0.884,  -1.534,   0.070)  (  0.884,  -1.534,   0.070)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.026,  -0.127,  -1.856)  ( -0.026,  -0.127,  -1.856)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.003,  -0.017,  -0.242)  ( -0.002,  -0.012,  -0.171)  ( 0.00,  0.01,  1.70)
168:     vdw     (  0.644,   0.265,  -0.021)  (  0.644,   0.265,  -0.021)  ( 0.00,  0.00,  0.00)
168:     electro (  0.172,  -0.037,   0.018)  (  0.172,  -0.037,   0.018)  ( 0.00,  0.00,  0.00)
168: 13       ( -3.039,  -3.637,  -0.645)  ( -3.036,  -3.632,  -0.621)  ( 0.10,  0.13,  1.57)
168:     bond    ( -1.376,   1.267,  -0.103)  ( -1.374,   1.269,  -0.103)  ( 0.15,  0.14,  0.00)
168:     angle   ( -4.815,  -5.170,   0.545)  ( -4.815,  -5.170,   0.545)  ( 0.01,  0.01,  0.00)
168:     strbnd  (  1.880,   0.883,  -0.174)  (  1.880,   0.883,  -0.174)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.019,  -0.089,  -0.837)  ( -0.019,  -0.089,  -0.837)  ( 0.00,  0.00,  0.03)
168:     oop     ( -0.002,  -0.010,  -0.098)  ( -0.002,  -0.008,  -0.074)  ( 0.00,  0.00,  0.23)
168:     vdw     (  1.159,  -0.292,  -0.017)  (  1.159,  -0.292,  -0.017)  ( 0.00,  0.00,  0.00)
168:     electro (  0.134,  -0.226,   0.039)  (  0.134,  -0.226,   0.039)  ( 0.00,  0.00,  0.00)
168: 14       ( 26.477,  19.962,  14.448)  ( 26.502,  20.025,  14.358)  ( 0.09,  0.32,  0.62)
168:     bond    (  2.000,   0.807,   0.393)  (  2.004,   0.812,   0.397)  ( 0.19,  0.36,  0.17)
168:     angle   ( 29.017,  24.625,  15.667)  ( 29.019,  24.627,  15.669)  ( 0.01,  0.01,  0.01)
168:     strbnd  ( -3.684,  -7.464,  -4.429)  ( -3.685,  -7.465,  -4.430)  ( 0.02,  0.01,  0.02)
168:     torsion ( -0.089,  -0.284,   0.463)  ( -0.089,  -0.284,   0.463)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.074,  -0.220,   0.362)  ( -0.055,  -0.162,   0.267)  ( 0.14,  1.28,  3.46)
168:     vdw     ( -0.663,   2.502,   1.775)  ( -0.663,   2.502,   1.775)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.030,  -0.005,   0.217)  ( -0.030,  -0.005,   0.217)  ( 0.00,  0.00,  0.00)
168: 15       (  3.238,  -4.313,  -1.243)  (  3.260,  -4.253,  -1.338)  ( 0.67,  1.38,  7.68)
168:     bond    (  1.169,   0.545,   0.557)  (  1.172,   0.545,   0.558)  ( 0.23,  0.03,  0.03)
168:     angle   (  3.953,  -5.603,  -2.827)  (  3.953,  -5.602,  -2.827)  ( 0.00,  0.01,  0.00)
168:     strbnd  ( -0.998,   1.310,   0.666)  ( -0.998,   1.310,   0.666)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.049,  -0.169,   0.268)  ( -0.049,  -0.169,   0.269)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.064,  -0.204,   0.334)  ( -0.045,  -0.145,   0.237)  ( 0.12,  1.19,  3.22)
168:     vdw     ( -0.604,  -0.224,  -0.242)  ( -0.604,  -0.224,  -0.242)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.168,   0.032,   0.001)  ( -0.168,   0.032,   0.001)  ( 0.00,  0.00,  0.00)
168: 16       (  2.827,   3.165,   1.873)  (  2.825,   3.154,   1.894)  ( 0.07,  0.35,  1.16)
168:     bond    (  1.377,  -1.119,  -0.400)  (  1.379,  -1.118,  -0.400)  ( 0.16,  0.13,  0.01)
168:     angle   (  4.447,   4.280,   3.375)  (  4.447,   4.280,   3.375)  ( 0.01,  0.01,  0.01)
168:     strbnd  ( -1.774,  -0.686,  -0.825)  ( -1.774,  -0.686,  -0.825)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.054,   0.148,  -0.229)  (  0.054,   0.148,  -0.229)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.018,   0.053,  -0.087)  (  0.013,   0.040,  -0.065)  ( 0.01,  0.07,  0.18)
168:     vdw     ( -1.150,   0.297,  -0.072)  ( -1.149,   0.297,  -0.072)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.145,   0.192,   0.110)  ( -0.145,   0.192,   0.110)  ( 0.00,  0.00,  0.00)
168: 17       ( 10.855,  29.221,  17.768)  ( 10.869,  29.262,  17.706)  ( 0.13,  0.14,  0.35)
168:     bond    ( -3.169,  26.110,  15.008)  ( -3.169,  26.113,  15.009)  ( 0.01,  0.01,  0.01)
168:     angle   ( 14.067,   0.347,   2.366)  ( 14.068,   0.347,   2.366)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( -0.226,   2.694,   1.435)  ( -0.226,   2.694,   1.435)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.187,   0.538,  -0.897)  (  0.187,   0.538,  -0.897)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.055,  -0.172,   0.287)  ( -0.042,  -0.134,   0.224)  ( 0.07,  0.65,  1.81)
168:     vdw     ( -0.563,  -0.467,  -0.562)  ( -0.563,  -0.467,  -0.562)  ( 0.00,  0.00,  0.00)
168:     electro (  0.615,   0.171,   0.131)  (  0.615,   0.171,   0.131)  ( 0.00,  0.00,  0.00)
168: 18       (-14.723, -32.439,  10.525)  (-14.730, -32.402,  10.710)  ( 0.05,  0.11,  1.75)
168:     bond    (  1.321, -29.709,   5.246)  (  1.321, -29.705,   5.247)  ( 0.01,  0.01,  0.01)
168:     angle   (-16.050,  -0.489,   1.274)  (-16.050,  -0.489,   1.274)  ( 0.01,  0.00,  0.00)
168:     strbnd  (  0.072,  -3.233,   0.861)  (  0.072,  -3.233,   0.861)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.052,   0.751,   4.265)  ( -0.052,   0.751,   4.266)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.009,  -0.150,  -0.851)  (  0.001,  -0.118,  -0.667)  ( 0.01,  0.48, 15.66)
168:     vdw     (  0.603,   0.572,  -0.221)  (  0.603,   0.572,  -0.221)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.625,  -0.180,  -0.050)  ( -0.625,  -0.180,  -0.050)  ( 0.00,  0.00,  0.00)
168: 19       ( -9.549, -16.055,  -9.499)  ( -9.547, -16.054,  -9.498)  ( 0.02,  0.01,  0.01)
168:     bond    (  6.549,  -6.489,  -5.236)  (  6.550,  -6.488,  -5.235)  ( 0.02,  0.02,  0.02)
168:     angle   (-15.891, -11.333,  -5.837)  (-15.890, -11.333,  -5.837)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( -1.046,   0.503,   0.436)  ( -1.046,   0.503,   0.436)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.839,   1.264,   1.139)  (  0.839,   1.264,   1.139)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 20       ( -6.872,  -6.628,  -8.449)  ( -6.870,  -6.627,  -8.448)  ( 0.02,  0.01,  0.02)
168:     bond    ( -7.287,   3.445,  -8.054)  ( -7.286,   3.445,  -8.052)  ( 0.02,  0.01,  0.02)
168:     angle   ( -1.156, -10.327,  -3.372)  ( -1.156, -10.326,  -3.372)  ( 0.02,  0.01,  0.01)
168:     strbnd  (  1.415,  -1.060,   1.430)  (  1.415,  -1.060,   1.430)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.156,   1.313,   1.547)  (  0.156,   1.313,   1.547)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 21       ( -5.154, -11.419,  -3.897)  ( -5.153, -11.418,  -3.895)  ( 0.02,  0.01,  0.04)
168:     bond    ( -5.951,  -7.142,   6.246)  ( -5.950,  -7.141,   6.247)  ( 0.02,  0.02,  0.02)
168:     angle   ( -0.744,  -6.990,  -8.698)  ( -0.743,  -6.990,  -8.698)  ( 0.02,  0.00,  0.01)
168:     strbnd  (  1.377,   1.441,  -1.809)  (  1.377,   1.441,  -1.809)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.163,   1.273,   0.365)  (  0.163,   1.273,   0.365)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 22       (  6.707,  14.950,  -4.095)  (  6.709,  14.951,  -4.094)  ( 0.04,  0.00,  0.03)
168:     bond    ( 10.180,   0.038,  -5.182)  ( 10.183,   0.038,  -5.181)  ( 0.02,  0.00,  0.01)
168:     angle   ( -0.643,  16.864,  -1.139)  ( -0.642,  16.864,  -1.139)  ( 0.01,  0.00,  0.03)
168:     strbnd  ( -2.565,   0.430,   1.327)  ( -2.565,   0.430,   1.327)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.266,  -2.382,   0.899)  ( -0.266,  -2.382,   0.899)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 23       (  7.712,   7.044,   4.929)  (  7.712,   7.045,   4.931)  ( 0.01,  0.01,  0.05)
168:     bond    (  2.115,   4.636,   9.930)  (  2.115,   4.637,   9.932)  ( 0.01,  0.01,  0.02)
168:     angle   (  6.274,   3.725,  -3.075)  (  6.274,   3.725,  -3.075)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -0.199,  -0.342,  -1.642)  ( -0.199,  -0.342,  -1.642)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.477,  -0.975,  -0.284)  ( -0.477,  -0.975,  -0.284)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 24       ( 10.798,  13.827,  -7.791)  ( 10.799,  13.829,  -7.790)  ( 0.01,  0.01,  0.02)
168:     bond    ( -5.076,   7.231,  -5.839)  ( -5.075,   7.232,  -5.838)  ( 0.01,  0.02,  0.02)
168:     angle   ( 15.920,   8.574,  -3.218)  ( 15.920,   8.575,  -3.218)  ( 0.00,  0.00,  0.01)
168:     strbnd  (  0.876,  -0.556,   0.755)  (  0.876,  -0.556,   0.755)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.922,  -1.422,   0.511)  ( -0.922,  -1.422,   0.511)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: ok 16 # gradients 
168: ok 17 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       ( 75.919,  23.900,  -8.357)  ( 75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
168:     bond    ( 43.256,   7.487, -14.578)  ( 43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
168:     angle   ( -0.077,   0.026,  -0.013)  ( -0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( 27.650,   7.696,  -4.671)  ( 27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
168:     torsion ( -0.018,   0.018,   0.030)  ( -0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.004,   0.006,   0.012)  ( -0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.113,   8.667,  10.865)  (  5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  2       ( -0.007,  70.694, -37.613)  (  0.000,  70.701, -37.611)  ( 0.00,  0.01,  0.01)
168:     bond    ( -0.003,  34.123, -31.161)  (  0.000,  34.128, -31.160)  ( 0.00,  0.01,  0.00)
168:     angle   ( -0.002,   0.021,  -0.051)  (  0.000,   0.022,  -0.051)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( -0.001,  24.741, -15.277)  (  0.000,  24.742, -15.276)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.007,  -0.022)  (  0.000,  -0.006,  -0.021)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.005,  -0.010)  (  0.000,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.000,  11.821,   8.908)  (  0.000,  11.821,   8.908)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  3       ( -0.007, -70.710, -37.613)  (  0.000, -70.701, -37.611)  ( 0.00,  0.01,  0.01)
168:     bond    ( -0.003, -34.133, -31.161)  (  0.000, -34.128, -31.160)  ( 0.00,  0.01,  0.00)
168:     angle   ( -0.002,  -0.024,  -0.051)  (  0.000,  -0.022,  -0.051)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( -0.001, -24.743, -15.277)  (  0.000, -24.742, -15.276)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,   0.006,  -0.022)  (  0.000,   0.006,  -0.021)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,   0.005,  -0.010)  (  0.000,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.000, -11.821,   8.908)  ( -0.000, -11.821,   8.908)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  4       ( 75.919, -23.913,  -8.357)  ( 75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
168:     bond    ( 43.256,  -7.494, -14.578)  ( 43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
168:     angle   ( -0.077,  -0.029,  -0.013)  ( -0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( 27.650,  -7.698,  -4.671)  ( 27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
168:     torsion ( -0.018,  -0.018,   0.030)  ( -0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.004,  -0.006,   0.012)  ( -0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.113,  -8.667,  10.865)  (  5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  5       (-38.554,  47.292, -52.215)  (-38.549,  47.297, -52.209)  ( 0.01,  0.01,  0.01)
168:     bond    (-12.136,  26.876, -35.755)  (-12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
168:     angle   ( -0.007,   0.078,   0.012)  ( -0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
168:     strbnd  (-12.414,  17.157, -20.001)  (-12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.017,   0.014,  -0.020)  (  0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.005,   0.002,  -0.006)  (  0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (-14.019,   3.164,   3.556)  (-14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  6       (-38.554, -47.306, -52.215)  (-38.549, -47.297, -52.209)  ( 0.01,  0.02,  0.01)
168:     bond    (-12.136, -26.884, -35.755)  (-12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
168:     angle   ( -0.007,  -0.081,   0.012)  ( -0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
168:     strbnd  (-12.414, -17.160, -20.001)  (-12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.017,  -0.014,  -0.020)  (  0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.005,  -0.002,  -0.006)  (  0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (-14.019,  -3.165,   3.556)  (-14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  7       (-75.934,  23.900,  -8.357)  (-75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
168:     bond    (-43.264,   7.487, -14.578)  (-43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
168:     angle   (  0.075,   0.026,  -0.013)  (  0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
168:     strbnd  (-27.652,   7.696,  -4.671)  (-27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
168:     torsion (  0.017,   0.018,   0.030)  (  0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.004,   0.006,   0.012)  (  0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.113,   8.667,  10.865)  ( -5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  8       (-75.934, -23.913,  -8.357)  (-75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
168:     bond    (-43.264,  -7.494, -14.578)  (-43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
168:     angle   (  0.075,  -0.029,  -0.013)  (  0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
168:     strbnd  (-27.652,  -7.698,  -4.671)  (-27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
168:     torsion (  0.017,  -0.018,   0.030)  (  0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.004,  -0.006,   0.012)  (  0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.113,  -8.667,  10.865)  ( -5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  9       ( 47.292,  52.205,  38.542)  ( 47.297,  52.209,  38.549)  ( 0.01,  0.01,  0.02)
168:     bond    ( 26.876,  35.751,  12.130)  ( 26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
168:     angle   (  0.078,  -0.014,   0.005)  (  0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( 17.157,  20.000,  12.412)  ( 17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
168:     torsion (  0.014,   0.019,  -0.017)  (  0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.002,   0.006,  -0.006)  (  0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.164,  -3.556,  14.019)  (  3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 10       (  8.348,  75.919,  23.900)  (  8.353,  75.928,  23.905)  ( 0.06,  0.01,  0.02)
168:     bond    ( 14.575,  43.256,   7.487)  ( 14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
168:     angle   (  0.011,  -0.077,   0.026)  (  0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
168:     strbnd  (  4.670,  27.650,   7.696)  (  4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.031,  -0.018,   0.018)  ( -0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.012,  -0.004,   0.006)  ( -0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (-10.865,   5.113,   8.667)  (-10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 11       (  8.348, -75.934,  23.900)  (  8.353, -75.928,  23.905)  ( 0.06,  0.01,  0.02)
168:     bond    ( 14.575, -43.264,   7.487)  ( 14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
168:     angle   (  0.011,   0.075,   0.026)  (  0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
168:     strbnd  (  4.670, -27.652,   7.696)  (  4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.031,   0.017,   0.018)  ( -0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.012,   0.004,   0.006)  ( -0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (-10.865,  -5.113,   8.667)  (-10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 12       ( 47.292, -52.215,  38.542)  ( 47.297, -52.209,  38.549)  ( 0.01,  0.01,  0.02)
168:     bond    ( 26.876, -35.755,  12.130)  ( 26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
168:     angle   (  0.078,   0.012,   0.005)  (  0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( 17.157, -20.001,  12.412)  ( 17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
168:     torsion (  0.014,  -0.020,  -0.017)  (  0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.002,  -0.006,  -0.006)  (  0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.164,   3.556,  14.019)  (  3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 13       ( 52.205, -38.554, -47.306)  ( 52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
168:     bond    ( 35.751, -12.136, -26.884)  ( 35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
168:     angle   ( -0.014,  -0.007,  -0.081)  ( -0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( 20.000, -12.414, -17.160)  ( 20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
168:     torsion (  0.019,   0.017,  -0.014)  (  0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.006,   0.005,  -0.002)  (  0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.556, -14.019,  -3.165)  ( -3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 14       (-23.913,   8.348, -75.934)  (-23.905,   8.353, -75.928)  ( 0.03,  0.06,  0.01)
168:     bond    ( -7.494,  14.575, -43.264)  ( -7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
168:     angle   ( -0.029,   0.011,   0.075)  ( -0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( -7.698,   4.670, -27.652)  ( -7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.018,  -0.031,   0.017)  ( -0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.006,  -0.012,   0.004)  ( -0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -8.667, -10.865,  -5.113)  ( -8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 15       ( 52.205, -38.554,  47.292)  ( 52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
168:     bond    ( 35.751, -12.136,  26.876)  ( 35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
168:     angle   ( -0.014,  -0.007,   0.078)  ( -0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( 20.000, -12.414,  17.157)  ( 20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
168:     torsion (  0.019,   0.017,   0.014)  (  0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.006,   0.005,   0.002)  (  0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.556, -14.019,   3.164)  ( -3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 16       (-70.710,  37.607,  -0.007)  (-70.701,  37.611,  -0.000)  ( 0.01,  0.01,  0.00)
168:     bond    (-34.133,  31.159,  -0.003)  (-34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
168:     angle   ( -0.024,   0.050,  -0.002)  ( -0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
168:     strbnd  (-24.743,  15.275,  -0.001)  (-24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.006,   0.020,  -0.000)  (  0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.005,   0.010,  -0.000)  (  0.005,   0.011,  -0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (-11.821,  -8.908,  -0.000)  (-11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 17       ( 38.542, -47.306, -52.215)  ( 38.549, -47.297, -52.209)  ( 0.02,  0.02,  0.01)
168:     bond    ( 12.130, -26.884, -35.755)  ( 12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
168:     angle   (  0.005,  -0.081,   0.012)  (  0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
168:     strbnd  ( 12.412, -17.160, -20.001)  ( 12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.017,  -0.014,  -0.020)  ( -0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.006,  -0.002,  -0.006)  ( -0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 14.019,  -3.165,   3.556)  ( 14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 18       (-47.306,  52.205,  38.542)  (-47.297,  52.209,  38.549)  ( 0.02,  0.01,  0.02)
168:     bond    (-26.884,  35.751,  12.130)  (-26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
168:     angle   ( -0.081,  -0.014,   0.005)  ( -0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
168:     strbnd  (-17.160,  20.000,  12.412)  (-17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.014,   0.019,  -0.017)  ( -0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.002,   0.006,  -0.006)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.165,  -3.556,  14.019)  ( -3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 19       (-23.913,   8.348,  75.919)  (-23.905,   8.353,  75.928)  ( 0.03,  0.06,  0.01)
168:     bond    ( -7.494,  14.575,  43.256)  ( -7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
168:     angle   ( -0.029,   0.011,  -0.077)  ( -0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( -7.698,   4.670,  27.650)  ( -7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.018,  -0.031,  -0.018)  ( -0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.006,  -0.012,  -0.004)  ( -0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -8.667, -10.865,   5.113)  ( -8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 20       ( 23.900,   8.348, -75.934)  ( 23.905,   8.353, -75.928)  ( 0.02,  0.06,  0.01)
168:     bond    (  7.487,  14.575, -43.264)  (  7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
168:     angle   (  0.026,   0.011,   0.075)  (  0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
168:     strbnd  (  7.696,   4.670, -27.652)  (  7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.018,  -0.031,   0.017)  (  0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.006,  -0.012,   0.004)  (  0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     (  8.667, -10.865,  -5.113)  (  8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 21       ( 38.542,  47.292, -52.215)  ( 38.549,  47.297, -52.209)  ( 0.02,  0.01,  0.01)
168:     bond    ( 12.130,  26.876, -35.755)  ( 12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
168:     angle   (  0.005,   0.078,   0.012)  (  0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
168:     strbnd  ( 12.412,  17.157, -20.001)  ( 12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.017,   0.014,  -0.020)  ( -0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.006,   0.002,  -0.006)  ( -0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 14.019,   3.164,   3.556)  ( 14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 22       ( 37.607,  -0.007,  70.694)  ( 37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
168:     bond    ( 31.159,  -0.003,  34.123)  ( 31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
168:     angle   (  0.050,  -0.002,   0.021)  (  0.051,   0.000,   0.022)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( 15.275,  -0.001,  24.741)  ( 15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.020,  -0.000,  -0.007)  (  0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.010,  -0.000,  -0.005)  (  0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -8.908,  -0.000,  11.821)  ( -8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 23       ( 52.205,  38.542, -47.306)  ( 52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
168:     bond    ( 35.751,  12.130, -26.884)  ( 35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
168:     angle   ( -0.014,   0.005,  -0.081)  ( -0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( 20.000,  12.412, -17.160)  ( 20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
168:     torsion (  0.019,  -0.017,  -0.014)  (  0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.006,  -0.006,  -0.002)  (  0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.556,  14.019,  -3.165)  ( -3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 24       ( -8.357, -75.934,  23.900)  ( -8.353, -75.928,  23.905)  ( 0.04,  0.01,  0.02)
168:     bond    (-14.578, -43.264,   7.487)  (-14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
168:     angle   ( -0.013,   0.075,   0.026)  ( -0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
168:     strbnd  ( -4.671, -27.652,   7.696)  ( -4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
168:     torsion (  0.030,   0.017,   0.018)  (  0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.012,   0.004,   0.006)  (  0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 10.865,  -5.113,   8.667)  ( 10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 25       (-23.913,  -8.357, -75.934)  (-23.905,  -8.353, -75.928)  ( 0.03,  0.04,  0.01)
168:     bond    ( -7.494, -14.578, -43.264)  ( -7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
168:     angle   ( -0.029,  -0.013,   0.075)  ( -0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( -7.698,  -4.671, -27.652)  ( -7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.018,   0.030,   0.017)  ( -0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.006,   0.012,   0.004)  ( -0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -8.667,  10.865,  -5.113)  ( -8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 26       (-47.306, -52.215,  38.542)  (-47.297, -52.209,  38.549)  ( 0.02,  0.01,  0.02)
168:     bond    (-26.884, -35.755,  12.130)  (-26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
168:     angle   ( -0.081,   0.012,   0.005)  ( -0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
168:     strbnd  (-17.160, -20.001,  12.412)  (-17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.014,  -0.020,  -0.017)  ( -0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.002,  -0.006,  -0.006)  ( -0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.165,   3.556,  14.019)  ( -3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 27       ( 52.205,  38.542,  47.292)  ( 52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
168:     bond    ( 35.751,  12.130,  26.876)  ( 35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
168:     angle   ( -0.014,   0.005,   0.078)  ( -0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( 20.000,  12.412,  17.157)  ( 20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
168:     torsion (  0.019,  -0.017,   0.014)  (  0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.006,  -0.006,   0.002)  (  0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.556,  14.019,   3.164)  ( -3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 28       (-70.710, -37.613,  -0.007)  (-70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
168:     bond    (-34.133, -31.161,  -0.003)  (-34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
168:     angle   ( -0.024,  -0.051,  -0.002)  ( -0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
168:     strbnd  (-24.743, -15.277,  -0.001)  (-24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.006,  -0.022,  -0.000)  (  0.006,  -0.021,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.005,  -0.010,  -0.000)  (  0.005,  -0.011,  -0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (-11.821,   8.908,  -0.000)  (-11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 29       ( 23.900,  -8.357, -75.934)  ( 23.905,  -8.353, -75.928)  ( 0.02,  0.04,  0.01)
168:     bond    (  7.487, -14.578, -43.264)  (  7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
168:     angle   (  0.026,  -0.013,   0.075)  (  0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
168:     strbnd  (  7.696,  -4.671, -27.652)  (  7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.018,   0.030,   0.017)  (  0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.006,   0.012,   0.004)  (  0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     (  8.667,  10.865,  -5.113)  (  8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 30       ( 70.694,  37.607,  -0.007)  ( 70.701,  37.611,   0.000)  ( 0.01,  0.01,  0.00)
168:     bond    ( 34.123,  31.159,  -0.003)  ( 34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
168:     angle   (  0.021,   0.050,  -0.002)  (  0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( 24.741,  15.275,  -0.001)  ( 24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.007,   0.020,  -0.000)  ( -0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.005,   0.010,  -0.000)  ( -0.005,   0.011,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 11.821,  -8.908,  -0.000)  ( 11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 31       ( 37.607,  -0.007, -70.710)  ( 37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
168:     bond    ( 31.159,  -0.003, -34.133)  ( 31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
168:     angle   (  0.050,  -0.002,  -0.024)  (  0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( 15.275,  -0.001, -24.743)  ( 15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.020,  -0.000,   0.006)  (  0.021,  -0.000,   0.006)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.010,  -0.000,   0.005)  (  0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -8.908,  -0.000, -11.821)  ( -8.908,   0.000, -11.821)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 32       ( -8.357,  75.919,  23.900)  ( -8.353,  75.928,  23.905)  ( 0.04,  0.01,  0.02)
168:     bond    (-14.578,  43.256,   7.487)  (-14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
168:     angle   ( -0.013,  -0.077,   0.026)  ( -0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
168:     strbnd  ( -4.671,  27.650,   7.696)  ( -4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
168:     torsion (  0.030,  -0.018,   0.018)  (  0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.012,  -0.004,   0.006)  (  0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 10.865,   5.113,   8.667)  ( 10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 33       (-23.913,  -8.357,  75.919)  (-23.905,  -8.353,  75.928)  ( 0.03,  0.04,  0.01)
168:     bond    ( -7.494, -14.578,  43.256)  ( -7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
168:     angle   ( -0.029,  -0.013,  -0.077)  ( -0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( -7.698,  -4.671,  27.650)  ( -7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.018,   0.030,  -0.018)  ( -0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.006,   0.012,  -0.004)  ( -0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -8.667,  10.865,   5.113)  ( -8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 34       ( 70.694, -37.613,  -0.007)  ( 70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
168:     bond    ( 34.123, -31.161,  -0.003)  ( 34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
168:     angle   (  0.021,  -0.051,  -0.002)  (  0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( 24.741, -15.277,  -0.001)  ( 24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.007,  -0.022,  -0.000)  ( -0.006,  -0.021,  -0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.005,  -0.010,  -0.000)  ( -0.005,  -0.011,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 11.821,   8.908,  -0.000)  ( 11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 35       (-52.215,  38.542, -47.306)  (-52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
168:     bond    (-35.755,  12.130, -26.884)  (-35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
168:     angle   (  0.012,   0.005,  -0.081)  (  0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
168:     strbnd  (-20.001,  12.412, -17.160)  (-20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
168:     torsion ( -0.020,  -0.017,  -0.014)  ( -0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.006,  -0.006,  -0.002)  ( -0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.556,  14.019,  -3.165)  (  3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 36       (-52.215,  38.542,  47.292)  (-52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
168:     bond    (-35.755,  12.130,  26.876)  (-35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
168:     angle   (  0.012,   0.005,   0.078)  (  0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
168:     strbnd  (-20.001,  12.412,  17.157)  (-20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
168:     torsion ( -0.020,  -0.017,   0.014)  ( -0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.006,  -0.006,   0.002)  ( -0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.556,  14.019,   3.164)  (  3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 37       (-37.613,  -0.007,  70.694)  (-37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
168:     bond    (-31.161,  -0.003,  34.123)  (-31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
168:     angle   ( -0.051,  -0.002,   0.021)  ( -0.051,  -0.000,   0.022)  ( 0.00,  0.00,  0.00)
168:     strbnd  (-15.277,  -0.001,  24.741)  (-15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.022,  -0.000,  -0.007)  ( -0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.010,  -0.000,  -0.005)  ( -0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (  8.908,  -0.000,  11.821)  (  8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 38       (-52.215, -38.554, -47.306)  (-52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
168:     bond    (-35.755, -12.136, -26.884)  (-35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
168:     angle   (  0.012,  -0.007,  -0.081)  (  0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
168:     strbnd  (-20.001, -12.414, -17.160)  (-20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
168:     torsion ( -0.020,   0.017,  -0.014)  ( -0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.006,   0.005,  -0.002)  ( -0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.556, -14.019,  -3.165)  (  3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 39       (-52.215, -38.554,  47.292)  (-52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
168:     bond    (-35.755, -12.136,  26.876)  (-35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
168:     angle   (  0.012,  -0.007,   0.078)  (  0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
168:     strbnd  (-20.001, -12.414,  17.157)  (-20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
168:     torsion ( -0.020,   0.017,   0.014)  ( -0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.006,   0.005,   0.002)  ( -0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.556, -14.019,   3.164)  (  3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 40       ( 23.900,  -8.357,  75.919)  ( 23.905,  -8.353,  75.928)  ( 0.02,  0.04,  0.01)
168:     bond    (  7.487, -14.578,  43.256)  (  7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
168:     angle   (  0.026,  -0.013,  -0.077)  (  0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
168:     strbnd  (  7.696,  -4.671,  27.650)  (  7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.018,   0.030,  -0.018)  (  0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.006,   0.012,  -0.004)  (  0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     (  8.667,  10.865,   5.113)  (  8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 41       (-54.913, -35.524, -24.139)  (-54.905, -35.518, -24.134)  ( 0.02,  0.02,  0.02)
168:     bond    (-26.884, -35.755, -12.136)  (-26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
168:     angle   (  8.310,   2.328,   1.428)  (  8.312,   2.330,   1.429)  ( 0.02,  0.05,  0.09)
168:     strbnd  (-33.157,  -3.794,  -2.400)  (-33.157,  -3.793,  -2.399)  ( 0.00,  0.02,  0.04)
168:     torsion ( -0.015,  -1.854,   2.983)  ( -0.015,  -1.853,   2.983)  ( 0.00,  0.03,  0.01)
168:     oop     ( -0.002,  -0.006,   0.005)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.165,   3.556, -14.019)  ( -3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 42       (  3.504,  53.443,  17.121)  (  3.509,  53.448,  17.126)  ( 0.15,  0.01,  0.02)
168:     bond    (-12.452,  26.530,  26.356)  (-12.448,  26.533,  26.357)  ( 0.04,  0.01,  0.01)
168:     angle   ( -9.977,  -5.385,  -2.072)  ( -9.975,  -5.383,  -2.071)  ( 0.02,  0.04,  0.05)
168:     strbnd  ( 29.601,  21.773,  10.437)  ( 29.601,  21.772,  10.438)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.442,   1.853,  -6.723)  (  1.442,   1.853,  -6.722)  ( 0.02,  0.02,  0.01)
168:     oop     (  0.004,   0.006,  -0.012)  (  0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.113,   8.667, -10.865)  ( -5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 43       ( 47.292, -52.215, -38.554)  ( 47.297, -52.209, -38.549)  ( 0.01,  0.01,  0.01)
168:     bond    ( 26.876, -35.755, -12.136)  ( 26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
168:     angle   (  0.078,   0.012,  -0.007)  (  0.079,   0.013,  -0.006)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( 17.157, -20.001, -12.414)  ( 17.159, -20.000, -12.413)  ( 0.01,  0.00,  0.01)
168:     torsion (  0.014,  -0.020,   0.017)  (  0.014,  -0.019,   0.017)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.002,  -0.006,   0.005)  (  0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.164,   3.556, -14.019)  (  3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 44       (  8.348,  75.919, -23.913)  (  8.353,  75.928, -23.905)  ( 0.06,  0.01,  0.03)
168:     bond    ( 14.575,  43.256,  -7.494)  ( 14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
168:     angle   (  0.011,  -0.077,  -0.029)  (  0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
168:     strbnd  (  4.670,  27.650,  -7.698)  (  4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.031,  -0.018,  -0.018)  ( -0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.012,  -0.004,  -0.006)  ( -0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (-10.865,   5.113,  -8.667)  (-10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 45       ( -8.357,  75.919, -23.913)  ( -8.353,  75.928, -23.905)  ( 0.04,  0.01,  0.03)
168:     bond    (-14.578,  43.256,  -7.494)  (-14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
168:     angle   ( -0.013,  -0.077,  -0.029)  ( -0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
168:     strbnd  ( -4.671,  27.650,  -7.698)  ( -4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
168:     torsion (  0.030,  -0.018,  -0.018)  (  0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.012,  -0.004,  -0.006)  (  0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 10.865,   5.113,  -8.667)  ( 10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 46       (  8.348, -75.934, -23.913)  (  8.353, -75.928, -23.905)  ( 0.06,  0.01,  0.03)
168:     bond    ( 14.575, -43.264,  -7.494)  ( 14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
168:     angle   (  0.011,   0.075,  -0.029)  (  0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
168:     strbnd  (  4.670, -27.652,  -7.698)  (  4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.031,   0.017,  -0.018)  ( -0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.012,   0.004,  -0.006)  ( -0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (-10.865,  -5.113,  -8.667)  (-10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 47       (-38.554, -47.306,  52.205)  (-38.549, -47.297,  52.209)  ( 0.01,  0.02,  0.01)
168:     bond    (-12.136, -26.884,  35.751)  (-12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
168:     angle   ( -0.007,  -0.081,  -0.014)  ( -0.006,  -0.079,  -0.013)  ( 0.00,  0.01,  0.00)
168:     strbnd  (-12.414, -17.160,  20.000)  (-12.413, -17.159,  20.000)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.017,  -0.014,   0.019)  (  0.017,  -0.014,   0.019)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.005,  -0.002,   0.006)  (  0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (-14.019,  -3.165,  -3.556)  (-14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 48       (-37.613,  -0.007, -70.710)  (-37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
168:     bond    (-31.161,  -0.003, -34.133)  (-31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
168:     angle   ( -0.051,  -0.002,  -0.024)  ( -0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
168:     strbnd  (-15.277,  -0.001, -24.743)  (-15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.022,  -0.000,   0.006)  ( -0.021,   0.000,   0.006)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.010,  -0.000,   0.005)  ( -0.011,   0.000,   0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (  8.908,  -0.000, -11.821)  (  8.908,  -0.000, -11.821)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 49       ( 23.900,   8.348,  75.919)  ( 23.905,   8.353,  75.928)  ( 0.02,  0.06,  0.01)
168:     bond    (  7.487,  14.575,  43.256)  (  7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
168:     angle   (  0.026,   0.011,  -0.077)  (  0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
168:     strbnd  (  7.696,   4.670,  27.650)  (  7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.018,  -0.031,  -0.018)  (  0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.006,  -0.012,  -0.004)  (  0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     (  8.667, -10.865,   5.113)  (  8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 50       (-54.913,  35.514, -24.139)  (-54.905,  35.518, -24.134)  ( 0.02,  0.01,  0.02)
168:     bond    (-26.884,  35.751, -12.136)  (-26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
168:     angle   (  8.310,  -2.331,   1.428)  (  8.312,  -2.330,   1.429)  ( 0.02,  0.05,  0.09)
168:     strbnd  (-33.157,   3.792,  -2.400)  (-33.157,   3.793,  -2.399)  ( 0.00,  0.02,  0.04)
168:     torsion ( -0.015,   1.852,   2.983)  ( -0.015,   1.853,   2.983)  ( 0.00,  0.03,  0.01)
168:     oop     ( -0.002,   0.006,   0.005)  ( -0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.165,  -3.556, -14.019)  ( -3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 51       ( -8.357, -75.934, -23.913)  ( -8.353, -75.928, -23.905)  ( 0.04,  0.01,  0.03)
168:     bond    (-14.578, -43.264,  -7.494)  (-14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
168:     angle   ( -0.013,   0.075,  -0.029)  ( -0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
168:     strbnd  ( -4.671, -27.652,  -7.698)  ( -4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
168:     torsion (  0.030,   0.017,  -0.018)  (  0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.012,   0.004,  -0.006)  (  0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 10.865,  -5.113,  -8.667)  ( 10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 52       ( 37.554, -49.775,  56.098)  ( 37.561, -49.767,  56.102)  ( 0.02,  0.02,  0.01)
168:     bond    ( 12.130, -26.884,  35.751)  ( 12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
168:     angle   (  1.671,   3.010,   0.624)  (  1.672,   3.012,   0.625)  ( 0.08,  0.05,  0.07)
168:     strbnd  ( 11.182, -22.719,  19.528)  ( 11.183, -22.718,  19.529)  ( 0.01,  0.00,  0.00)
168:     torsion ( -1.441,  -0.016,   3.746)  ( -1.441,  -0.015,   3.746)  ( 0.03,  0.00,  0.02)
168:     oop     ( -0.006,  -0.002,   0.006)  ( -0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 14.019,  -3.165,  -3.556)  ( 14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 53       ( 57.517,  33.960,  18.680)  ( 57.526,  33.965,  18.684)  ( 0.02,  0.02,  0.02)
168:     bond    ( 43.256,   7.487,  14.575)  ( 43.260,   7.491,  14.577)  ( 0.01,  0.04,  0.01)
168:     angle   ( -5.272,  -6.052,  -3.749)  ( -5.270,  -6.051,  -3.748)  ( 0.03,  0.03,  0.03)
168:     strbnd  ( 14.441,  25.672,  15.790)  ( 14.443,  25.673,  15.791)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.018,  -1.820,   2.940)  ( -0.018,  -1.820,   2.940)  ( 0.00,  0.02,  0.02)
168:     oop     ( -0.004,   0.006,  -0.012)  ( -0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.113,   8.667, -10.865)  (  5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 54       (-52.445,  20.194,   0.196)  (-52.439,  20.201,   0.199)  ( 0.01,  0.03,  0.06)
168:     bond    (-30.817,  15.080,  19.379)  (-30.813,  15.086,  19.380)  ( 0.01,  0.03,  0.00)
168:     angle   (  5.186,   6.102,   3.821)  (  5.188,   6.103,   3.822)  ( 0.04,  0.03,  0.02)
168:     strbnd  (-26.815, -14.634, -11.154)  (-26.815, -14.635, -11.154)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.000,   1.831,  -2.952)  (  0.001,   1.831,  -2.951)  ( 0.00,  0.01,  0.02)
168:     oop     ( -0.000,  -0.005,   0.010)  (  0.000,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.000,  11.821,  -8.908)  (  0.000,  11.821,  -8.908)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 55       ( 37.554,  49.762,  56.098)  ( 37.561,  49.767,  56.102)  ( 0.02,  0.01,  0.01)
168:     bond    ( 12.130,  26.876,  35.751)  ( 12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
168:     angle   (  1.671,  -3.013,   0.624)  (  1.672,  -3.012,   0.625)  ( 0.08,  0.05,  0.07)
168:     strbnd  ( 11.182,  22.717,  19.528)  ( 11.183,  22.718,  19.529)  ( 0.01,  0.00,  0.00)
168:     torsion ( -1.441,   0.015,   3.746)  ( -1.441,   0.015,   3.746)  ( 0.03,  0.00,  0.02)
168:     oop     ( -0.006,   0.002,   0.006)  ( -0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 14.019,   3.164,  -3.556)  ( 14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 56       (-38.554,  47.292,  52.205)  (-38.549,  47.297,  52.209)  ( 0.01,  0.01,  0.01)
168:     bond    (-12.136,  26.876,  35.751)  (-12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
168:     angle   ( -0.007,   0.078,  -0.014)  ( -0.006,   0.079,  -0.013)  ( 0.00,  0.01,  0.00)
168:     strbnd  (-12.414,  17.157,  20.000)  (-12.413,  17.159,  20.000)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.017,   0.014,   0.019)  (  0.017,   0.014,   0.019)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.005,   0.002,   0.006)  (  0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (-14.019,   3.164,  -3.556)  (-14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
170:     vdw     ( 39.697,  46.371, -28.940)  ( 39.698,  46.372, -28.940)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 30       (281.242, 143.041,  -0.049)  (281.292, 143.058,   0.000)  ( 0.02,  0.01,  0.24)
170:     bond    (223.722, 177.585,  -0.026)  (223.752, 177.591,   0.000)  ( 0.01,  0.00,  0.07)
170:     angle   (  0.102,   0.404,  -0.016)  (  0.115,   0.410,   0.000)  ( 0.14,  0.23,  0.03)
170:     torsion ( -0.107,   0.325,  -0.005)  ( -0.104,   0.338,   0.000)  ( 0.03,  0.44,  0.00)
170:     oop     ( -0.006,   0.012,  -0.000)  ( -0.004,   0.005,   0.000)  ( 0.00,  0.01,  0.00)
170:     vdw     ( 57.531, -35.285,  -0.002)  ( 57.532, -35.285,  -0.000)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 31       (143.041,  -0.049, -281.337)  (143.058,  -0.000, -281.292)  ( 0.01,  0.24,  0.02)
170:     bond    (177.585,  -0.026, -223.783)  (177.591,   0.000, -223.752)  ( 0.00,  0.07,  0.01)
170:     angle   (  0.404,  -0.016,  -0.129)  (  0.410,   0.000,  -0.115)  ( 0.23,  0.03,  0.17)
170:     torsion (  0.325,  -0.005,   0.101)  (  0.338,  -0.000,   0.104)  ( 0.44,  0.00,  0.03)
170:     oop     (  0.012,  -0.000,   0.006)  (  0.005,  -0.000,   0.004)  ( 0.01,  0.00,  0.00)
170:     vdw     (-35.285,  -0.002, -57.533)  (-35.285,  -0.000, -57.532)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 32       (-27.328, 298.150,  97.504)  (-27.307, 298.201,  97.544)  ( 0.08,  0.02,  0.04)
170:     bond    (-74.029, 270.148,  57.230)  (-74.018, 270.176,  57.253)  ( 0.01,  0.01,  0.04)
170:     angle   ( -0.163,  -0.641,   0.285)  ( -0.154,  -0.629,   0.299)  ( 0.14,  0.77,  0.40)
170:     torsion (  0.476,  -0.291,   0.285)  (  0.487,  -0.286,   0.290)  ( 0.51,  0.15,  0.15)
170:     oop     (  0.016,  -0.005,   0.008)  (  0.007,   0.000,   0.003)  ( 0.01,  0.00,  0.00)
170:     vdw     ( 46.371,  28.939,  39.697)  ( 46.372,  28.940,  39.698)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 33       (-97.594, -27.328, 298.150)  (-97.544, -27.307, 298.201)  ( 0.05,  0.08,  0.02)
170:     bond    (-57.277, -74.029, 270.148)  (-57.253, -74.018, 270.176)  ( 0.04,  0.01,  0.01)
170:     angle   ( -0.313,  -0.163,  -0.641)  ( -0.299,  -0.154,  -0.629)  ( 0.44,  0.14,  0.77)
170:     torsion ( -0.295,   0.476,  -0.291)  ( -0.290,   0.487,  -0.286)  ( 0.16,  0.51,  0.15)
170:     oop     ( -0.008,   0.016,  -0.005)  ( -0.003,   0.007,   0.000)  ( 0.00,  0.01,  0.00)
170:     vdw     (-39.700,  46.371,  28.939)  (-39.698,  46.372,  28.940)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 34       (281.242, -143.091,  -0.049)  (281.292, -143.058,   0.000)  ( 0.02,  0.02,  0.24)
170:     bond    (223.722, -177.596,  -0.026)  (223.752, -177.591,   0.000)  ( 0.01,  0.00,  0.07)
170:     angle   (  0.102,  -0.415,  -0.016)  (  0.115,  -0.410,   0.000)  ( 0.14,  0.23,  0.03)
170:     torsion ( -0.107,  -0.352,  -0.005)  ( -0.104,  -0.338,   0.000)  ( 0.03,  0.48,  0.00)
170:     oop     ( -0.006,  -0.013,  -0.000)  ( -0.004,  -0.005,   0.000)  ( 0.00,  0.01,  0.00)
170:     vdw     ( 57.531,  35.285,  -0.002)  ( 57.532,  35.285,   0.000)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 35       (-202.167, 156.695, -186.980)  (-202.126, 156.738, -186.928)  ( 0.02,  0.03,  0.03)
170:     bond    (-212.764,  92.745, -168.105)  (-212.748,  92.764, -168.078)  ( 0.01,  0.02,  0.02)
170:     angle   (  0.134,   0.038,  -0.721)  (  0.143,   0.050,  -0.706)  ( 0.12,  0.04,  1.04)
170:     torsion ( -0.320,  -0.279,  -0.231)  ( -0.310,  -0.273,  -0.226)  ( 0.32,  0.17,  0.12)
170:     oop     ( -0.009,  -0.008,  -0.003)  ( -0.003,  -0.003,   0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 10.792,  64.199, -17.920)  ( 10.792,  64.200, -17.919)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 36       (-202.167, 156.695, 186.884)  (-202.126, 156.738, 186.928)  ( 0.02,  0.03,  0.02)
170:     bond    (-212.764,  92.745, 168.051)  (-212.748,  92.764, 168.078)  ( 0.01,  0.02,  0.02)
170:     angle   (  0.134,   0.038,   0.692)  (  0.143,   0.050,   0.706)  ( 0.12,  0.04,  0.99)
170:     torsion ( -0.320,  -0.279,   0.221)  ( -0.310,  -0.273,   0.226)  ( 0.32,  0.17,  0.11)
170:     oop     ( -0.009,  -0.008,   0.003)  ( -0.003,  -0.003,  -0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 10.792,  64.199,  17.918)  ( 10.792,  64.200,  17.919)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 37       (-143.091,  -0.049, 281.242)  (-143.058,   0.000, 281.292)  ( 0.02,  0.24,  0.02)
170:     bond    (-177.596,  -0.026, 223.722)  (-177.591,   0.000, 223.752)  ( 0.00,  0.07,  0.01)
170:     angle   ( -0.415,  -0.016,   0.102)  ( -0.410,   0.000,   0.115)  ( 0.23,  0.03,  0.14)
170:     torsion ( -0.352,  -0.005,  -0.107)  ( -0.338,   0.000,  -0.104)  ( 0.48,  0.00,  0.03)
170:     oop     ( -0.013,  -0.000,  -0.006)  ( -0.005,   0.000,  -0.004)  ( 0.01,  0.00,  0.00)
170:     vdw     ( 35.285,  -0.002,  57.531)  ( 35.285,  -0.000,  57.532)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 38       (-202.167, -156.771, -186.980)  (-202.126, -156.738, -186.928)  ( 0.02,  0.02,  0.03)
170:     bond    (-212.764, -92.784, -168.105)  (-212.748, -92.764, -168.078)  ( 0.01,  0.02,  0.02)
170:     angle   (  0.134,  -0.061,  -0.721)  (  0.143,  -0.050,  -0.706)  ( 0.12,  0.07,  1.04)
170:     torsion ( -0.320,   0.267,  -0.231)  ( -0.310,   0.273,  -0.226)  ( 0.32,  0.16,  0.12)
170:     oop     ( -0.009,   0.007,  -0.003)  ( -0.003,   0.003,   0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 10.792, -64.201, -17.920)  ( 10.792, -64.200, -17.919)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 39       (-202.167, -156.771, 186.884)  (-202.126, -156.738, 186.928)  ( 0.02,  0.02,  0.02)
170:     bond    (-212.764, -92.784, 168.051)  (-212.748, -92.764, 168.078)  ( 0.01,  0.02,  0.02)
170:     angle   (  0.134,  -0.061,   0.692)  (  0.143,  -0.050,   0.706)  ( 0.12,  0.07,  0.99)
170:     torsion ( -0.320,   0.267,   0.221)  ( -0.310,   0.273,   0.226)  ( 0.32,  0.16,  0.11)
170:     oop     ( -0.009,   0.007,   0.003)  ( -0.003,   0.003,  -0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 10.792, -64.201,  17.918)  ( 10.792, -64.200,  17.919)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 40       ( 97.504, -27.328, 298.150)  ( 97.544, -27.307, 298.201)  ( 0.04,  0.08,  0.02)
170:     bond    ( 57.230, -74.029, 270.148)  ( 57.253, -74.018, 270.176)  ( 0.04,  0.01,  0.01)
170:     angle   (  0.285,  -0.163,  -0.641)  (  0.299,  -0.154,  -0.629)  ( 0.40,  0.14,  0.77)
170:     torsion (  0.285,   0.476,  -0.291)  (  0.290,   0.487,  -0.286)  ( 0.15,  0.51,  0.15)
170:     oop     (  0.008,   0.016,  -0.005)  (  0.003,   0.007,   0.000)  ( 0.00,  0.01,  0.00)
170:     vdw     ( 39.697,  46.371,  28.939)  ( 39.698,  46.372,  28.940)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 41       (-186.980, -202.167, -156.771)  (-186.928, -202.126, -156.738)  ( 0.03,  0.02,  0.02)
170:     bond    (-168.105, -212.764, -92.784)  (-168.078, -212.748, -92.764)  ( 0.02,  0.01,  0.02)
170:     angle   ( -0.721,   0.134,  -0.061)  ( -0.706,   0.143,  -0.050)  ( 1.04,  0.12,  0.07)
170:     torsion ( -0.231,  -0.320,   0.267)  ( -0.226,  -0.310,   0.273)  ( 0.12,  0.32,  0.16)
170:     oop     ( -0.003,  -0.009,   0.007)  (  0.001,  -0.003,   0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     (-17.920,  10.792, -64.201)  (-17.919,  10.792, -64.200)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 42       (-298.242,  97.504,  27.266)  (-298.201,  97.544,  27.307)  ( 0.01,  0.04,  0.15)
170:     bond    (-270.205,  57.230,  74.008)  (-270.176,  57.253,  74.018)  ( 0.01,  0.04,  0.01)
170:     angle   (  0.617,   0.285,   0.145)  (  0.629,   0.299,   0.154)  ( 0.74,  0.40,  0.13)
170:     torsion (  0.281,   0.285,  -0.498)  (  0.286,   0.290,  -0.487)  ( 0.14,  0.15,  0.53)
170:     oop     (  0.005,   0.008,  -0.016)  ( -0.000,   0.003,  -0.007)  ( 0.00,  0.00,  0.02)
170:     vdw     (-28.940,  39.697, -46.373)  (-28.940,  39.698, -46.372)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 43       (186.884, -202.167, -156.771)  (186.928, -202.126, -156.738)  ( 0.02,  0.02,  0.02)
170:     bond    (168.051, -212.764, -92.784)  (168.078, -212.748, -92.764)  ( 0.02,  0.01,  0.02)
170:     angle   (  0.692,   0.134,  -0.061)  (  0.706,   0.143,  -0.050)  ( 0.99,  0.12,  0.07)
170:     torsion (  0.221,  -0.320,   0.267)  (  0.226,  -0.310,   0.273)  ( 0.11,  0.32,  0.16)
170:     oop     (  0.003,  -0.009,   0.007)  ( -0.001,  -0.003,   0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 17.918,  10.792, -64.201)  ( 17.919,  10.792, -64.200)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 44       ( 27.266, 298.150, -97.594)  ( 27.307, 298.201, -97.544)  ( 0.15,  0.02,  0.05)
170:     bond    ( 74.008, 270.148, -57.277)  ( 74.018, 270.176, -57.253)  ( 0.01,  0.01,  0.04)
170:     angle   (  0.145,  -0.641,  -0.313)  (  0.154,  -0.629,  -0.299)  ( 0.13,  0.77,  0.44)
170:     torsion ( -0.498,  -0.291,  -0.295)  ( -0.487,  -0.286,  -0.290)  ( 0.53,  0.15,  0.16)
170:     oop     ( -0.016,  -0.005,  -0.008)  ( -0.007,   0.000,  -0.003)  ( 0.02,  0.00,  0.00)
170:     vdw     (-46.373,  28.939, -39.700)  (-46.372,  28.940, -39.698)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 45       (-27.328, 298.150, -97.594)  (-27.307, 298.201, -97.544)  ( 0.08,  0.02,  0.05)
170:     bond    (-74.029, 270.148, -57.277)  (-74.018, 270.176, -57.253)  ( 0.01,  0.01,  0.04)
170:     angle   ( -0.163,  -0.641,  -0.313)  ( -0.154,  -0.629,  -0.299)  ( 0.14,  0.77,  0.44)
170:     torsion (  0.476,  -0.291,  -0.295)  (  0.487,  -0.286,  -0.290)  ( 0.51,  0.15,  0.16)
170:     oop     (  0.016,  -0.005,  -0.008)  (  0.007,   0.000,  -0.003)  ( 0.01,  0.00,  0.00)
170:     vdw     ( 46.371,  28.939, -39.700)  ( 46.372,  28.940, -39.698)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 46       ( 27.266, -298.242, -97.594)  ( 27.307, -298.201, -97.544)  ( 0.15,  0.01,  0.05)
170:     bond    ( 74.008, -270.205, -57.277)  ( 74.018, -270.176, -57.253)  ( 0.01,  0.01,  0.04)
170:     angle   (  0.145,   0.617,  -0.313)  (  0.154,   0.629,  -0.299)  ( 0.13,  0.74,  0.44)
170:     torsion ( -0.498,   0.281,  -0.295)  ( -0.487,   0.286,  -0.290)  ( 0.53,  0.14,  0.16)
170:     oop     ( -0.016,   0.005,  -0.008)  ( -0.007,  -0.000,  -0.003)  ( 0.02,  0.00,  0.00)
170:     vdw     (-46.373, -28.940, -39.700)  (-46.372, -28.940, -39.698)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 47       (-156.771, -186.980, 202.096)  (-156.738, -186.928, 202.126)  ( 0.02,  0.03,  0.02)
170:     bond    (-92.784, -168.105, 212.732)  (-92.764, -168.078, 212.748)  ( 0.02,  0.02,  0.01)
170:     angle   ( -0.061,  -0.721,  -0.152)  ( -0.050,  -0.706,  -0.143)  ( 0.07,  1.04,  0.14)
170:     torsion (  0.267,  -0.231,   0.300)  (  0.273,  -0.226,   0.310)  ( 0.16,  0.12,  0.30)
170:     oop     (  0.007,  -0.003,   0.008)  (  0.003,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     (-64.201, -17.920, -10.793)  (-64.200, -17.919, -10.792)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 48       (-143.091,  -0.049, -281.337)  (-143.058,   0.000, -281.292)  ( 0.02,  0.24,  0.02)
170:     bond    (-177.596,  -0.026, -223.783)  (-177.591,   0.000, -223.752)  ( 0.00,  0.07,  0.01)
170:     angle   ( -0.415,  -0.016,  -0.129)  ( -0.410,   0.000,  -0.115)  ( 0.23,  0.03,  0.17)
170:     torsion ( -0.352,  -0.005,   0.101)  ( -0.338,   0.000,   0.104)  ( 0.48,  0.00,  0.03)
170:     oop     ( -0.013,  -0.000,   0.006)  ( -0.005,  -0.000,   0.004)  ( 0.01,  0.00,  0.00)
170:     vdw     ( 35.285,  -0.002, -57.533)  ( 35.285,   0.000, -57.532)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 49       ( 97.504,  27.266, 298.150)  ( 97.544,  27.307, 298.201)  ( 0.04,  0.15,  0.02)
170:     bond    ( 57.230,  74.008, 270.148)  ( 57.253,  74.018, 270.176)  ( 0.04,  0.01,  0.01)
170:     angle   (  0.285,   0.145,  -0.641)  (  0.299,   0.154,  -0.629)  ( 0.40,  0.13,  0.77)
170:     torsion (  0.285,  -0.498,  -0.291)  (  0.290,  -0.487,  -0.286)  ( 0.15,  0.53,  0.15)
170:     oop     (  0.008,  -0.016,  -0.005)  (  0.003,  -0.007,   0.000)  ( 0.00,  0.02,  0.00)
170:     vdw     ( 39.697, -46.373,  28.939)  ( 39.698, -46.372,  28.940)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 50       (-186.980, 202.096, -156.771)  (-186.928, 202.126, -156.738)  ( 0.03,  0.02,  0.02)
170:     bond    (-168.105, 212.732, -92.784)  (-168.078, 212.748, -92.764)  ( 0.02,  0.01,  0.02)
170:     angle   ( -0.721,  -0.152,  -0.061)  ( -0.706,  -0.143,  -0.050)  ( 1.04,  0.14,  0.07)
170:     torsion ( -0.231,   0.300,   0.267)  ( -0.226,   0.310,   0.273)  ( 0.12,  0.30,  0.16)
170:     oop     ( -0.003,   0.008,   0.007)  (  0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     (-17.920, -10.793, -64.201)  (-17.919, -10.792, -64.200)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 51       (-27.328, -298.242, -97.594)  (-27.307, -298.201, -97.544)  ( 0.08,  0.01,  0.05)
170:     bond    (-74.029, -270.205, -57.277)  (-74.018, -270.176, -57.253)  ( 0.01,  0.01,  0.04)
170:     angle   ( -0.163,   0.617,  -0.313)  ( -0.154,   0.629,  -0.299)  ( 0.14,  0.74,  0.44)
170:     torsion (  0.476,   0.281,  -0.295)  (  0.487,   0.286,  -0.290)  ( 0.51,  0.14,  0.16)
170:     oop     (  0.016,   0.005,  -0.008)  (  0.007,  -0.000,  -0.003)  ( 0.01,  0.00,  0.00)
170:     vdw     ( 46.371, -28.940, -39.700)  ( 46.372, -28.940, -39.698)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 52       (156.695, -186.980, 202.096)  (156.738, -186.928, 202.126)  ( 0.03,  0.03,  0.02)
170:     bond    ( 92.745, -168.105, 212.732)  ( 92.764, -168.078, 212.748)  ( 0.02,  0.02,  0.01)
170:     angle   (  0.038,  -0.721,  -0.152)  (  0.050,  -0.706,  -0.143)  ( 0.04,  1.04,  0.14)
170:     torsion ( -0.279,  -0.231,   0.300)  ( -0.273,  -0.226,   0.310)  ( 0.17,  0.12,  0.30)
170:     oop     ( -0.008,  -0.003,   0.008)  ( -0.003,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 64.199, -17.920, -10.793)  ( 64.200, -17.919, -10.792)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 53       (298.150,  97.504,  27.266)  (298.201,  97.544,  27.307)  ( 0.02,  0.04,  0.15)
170:     bond    (270.148,  57.230,  74.008)  (270.176,  57.253,  74.018)  ( 0.01,  0.04,  0.01)
170:     angle   ( -0.641,   0.285,   0.145)  ( -0.629,   0.299,   0.154)  ( 0.77,  0.40,  0.13)
170:     torsion ( -0.291,   0.285,  -0.498)  ( -0.286,   0.290,  -0.487)  ( 0.15,  0.15,  0.53)
170:     oop     ( -0.005,   0.008,  -0.016)  (  0.000,   0.003,  -0.007)  ( 0.00,  0.00,  0.02)
170:     vdw     ( 28.939,  39.697, -46.373)  ( 28.940,  39.698, -46.372)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 54       ( -0.049, 281.242, 143.041)  (  0.000, 281.292, 143.058)  ( 0.24,  0.02,  0.01)
170:     bond    ( -0.026, 223.722, 177.585)  (  0.000, 223.752, 177.591)  ( 0.07,  0.01,  0.00)
170:     angle   ( -0.016,   0.102,   0.404)  (  0.000,   0.115,   0.410)  ( 0.03,  0.14,  0.23)
170:     torsion ( -0.005,  -0.107,   0.325)  (  0.000,  -0.104,   0.338)  ( 0.00,  0.03,  0.44)
170:     oop     ( -0.000,  -0.006,   0.012)  (  0.000,  -0.004,   0.005)  ( 0.00,  0.00,  0.01)
170:     vdw     ( -0.002,  57.531, -35.285)  (  0.000,  57.532, -35.285)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 55       (156.695, 186.884, 202.096)  (156.738, 186.928, 202.126)  ( 0.03,  0.02,  0.02)
170:     bond    ( 92.745, 168.051, 212.732)  ( 92.764, 168.078, 212.748)  ( 0.02,  0.02,  0.01)
170:     angle   (  0.038,   0.692,  -0.152)  (  0.050,   0.706,  -0.143)  ( 0.04,  0.99,  0.14)
170:     torsion ( -0.279,   0.221,   0.300)  ( -0.273,   0.226,   0.310)  ( 0.17,  0.11,  0.30)
170:     oop     ( -0.008,   0.003,   0.008)  ( -0.003,  -0.001,   0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 64.199,  17.918, -10.793)  ( 64.200,  17.919, -10.792)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 56       (-156.771, 186.884, 202.096)  (-156.738, 186.928, 202.126)  ( 0.02,  0.02,  0.02)
170:     bond    (-92.784, 168.051, 212.732)  (-92.764, 168.078, 212.748)  ( 0.02,  0.02,  0.01)
170:     angle   ( -0.061,   0.692,  -0.152)  ( -0.050,   0.706,  -0.143)  ( 0.07,  0.99,  0.14)
170:     torsion (  0.267,   0.221,   0.300)  (  0.273,   0.226,   0.310)  ( 0.16,  0.11,  0.30)
170:     oop     (  0.007,   0.003,   0.008)  (  0.003,  -0.001,   0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     (-64.201,  17.918, -10.793)  (-64.200,  17.919, -10.792)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 57       (186.884, 202.096, -156.771)  (186.928, 202.126, -156.738)  ( 0.02,  0.02,  0.02)
170:     bond    (168.051, 212.732, -92.784)  (168.078, 212.748, -92.764)  ( 0.02,  0.01,  0.02)
170:     angle   (  0.692,  -0.152,  -0.061)  (  0.706,  -0.143,  -0.050)  ( 0.99,  0.14,  0.07)
170:     torsion (  0.221,   0.300,   0.267)  (  0.226,   0.310,   0.273)  ( 0.11,  0.30,  0.16)
170:     oop     (  0.003,   0.008,   0.007)  ( -0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 17.918, -10.793, -64.201)  ( 17.919, -10.792, -64.200)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 58       (-298.242, -97.594,  27.266)  (-298.201, -97.544,  27.307)  ( 0.01,  0.05,  0.15)
170:     bond    (-270.205, -57.277,  74.008)  (-270.176, -57.253,  74.018)  ( 0.01,  0.04,  0.01)
170:     angle   (  0.617,  -0.313,   0.145)  (  0.629,  -0.299,   0.154)  ( 0.74,  0.44,  0.13)
170:     torsion (  0.281,  -0.295,  -0.498)  (  0.286,  -0.290,  -0.487)  ( 0.14,  0.16,  0.53)
170:     oop     (  0.005,  -0.008,  -0.016)  ( -0.000,  -0.003,  -0.007)  ( 0.00,  0.00,  0.02)
170:     vdw     (-28.940, -39.700, -46.373)  (-28.940, -39.698, -46.372)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 59       (298.150, -97.594,  27.266)  (298.201, -97.544,  27.307)  ( 0.02,  0.05,  0.15)
170:     bond    (270.148, -57.277,  74.008)  (270.176, -57.253,  74.018)  ( 0.01,  0.04,  0.01)
170:     angle   ( -0.641,  -0.313,   0.145)  ( -0.629,  -0.299,   0.154)  ( 0.77,  0.44,  0.13)
170:     torsion ( -0.291,  -0.295,  -0.498)  ( -0.286,  -0.290,  -0.487)  ( 0.15,  0.16,  0.53)
170:     oop     ( -0.005,  -0.008,  -0.016)  (  0.000,  -0.003,  -0.007)  ( 0.00,  0.00,  0.02)
170:     vdw     ( 28.939, -39.700, -46.373)  ( 28.940, -39.698, -46.372)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 60       ( -0.049, -281.337, 143.041)  ( -0.000, -281.292, 143.058)  ( 0.24,  0.02,  0.01)
170:     bond    ( -0.026, -223.783, 177.585)  (  0.000, -223.752, 177.591)  ( 0.07,  0.01,  0.00)
170:     angle   ( -0.016,  -0.129,   0.404)  (  0.000,  -0.115,   0.410)  ( 0.03,  0.17,  0.23)
170:     torsion ( -0.005,   0.101,   0.325)  ( -0.000,   0.104,   0.338)  ( 0.00,  0.03,  0.44)
170:     oop     ( -0.000,   0.006,   0.012)  (  0.000,   0.004,   0.005)  ( 0.00,  0.00,  0.01)
170:     vdw     ( -0.002, -57.533, -35.285)  (  0.000, -57.532, -35.285)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 18 # gradients 
170: ok 19 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (187.442, -80.908,  -3.672)  (187.494, -80.846,  -3.733)  ( 0.03,  0.08,  1.66)
170:     bond    (  9.662,  34.813,  -0.219)  (  9.689,  34.853,  -0.218)  ( 0.28,  0.11,  0.01)
170:     angle   (232.233, -14.543,   3.991)  (232.257, -14.524,   3.990)  ( 0.01,  0.13,  0.02)
170:     torsion (  0.100,   0.118,  -8.823)  (  0.100,   0.118,  -8.791)  ( 0.00,  0.00,  0.36)
170:     oop     ( -0.001,  -0.003,   0.894)  ( -0.002,  -0.003,   0.802)  ( 0.00,  0.00,  8.27)
170:     vdw     (-54.552, -101.293,   0.486)  (-54.551, -101.291,   0.485)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (-396.877, -26.391,  23.123)  (-396.817, -26.325,  23.254)  ( 0.01,  0.25,  0.57)
170:     bond    (-22.671, -12.760,  -0.575)  (-22.641, -12.714,  -0.575)  ( 0.13,  0.36,  0.02)
170:     angle   (-380.611,  45.357,   7.464)  (-380.585,  45.376,   7.462)  ( 0.01,  0.04,  0.02)
170:     torsion (  0.072,  -0.068,  18.770)  (  0.072,  -0.068,  18.797)  ( 0.00,  0.00,  0.14)
170:     oop     ( -0.004,   0.005,  -0.395)  ( -0.003,   0.004,  -0.290)  ( 0.00,  0.00,  4.18)
170:     vdw     (  6.338, -58.925,  -2.140)  (  6.339, -58.923,  -2.140)  ( 0.02,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (197.838, -192.492,  -5.916)  (197.900, -192.435,  -5.979)  ( 0.03,  0.03,  1.07)
170:     bond    ( 83.338, -37.167,  -0.934)  ( 83.375, -37.127,  -0.933)  ( 0.04,  0.11,  0.03)
170:     angle   ( 68.449, -156.536,  -1.508)  ( 68.474, -156.520,  -1.506)  ( 0.04,  0.01,  0.11)
170:     torsion (  0.111,   0.566,  -3.763)  (  0.111,   0.566,  -3.744)  ( 0.00,  0.00,  0.52)
170:     oop     (  0.003,   0.002,   0.314)  (  0.002,   0.002,   0.229)  ( 0.00,  0.00,  2.66)
170:     vdw     ( 45.937,   0.643,  -0.025)  ( 45.938,   0.643,  -0.025)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       (131.699, 142.709,  -5.048)  (131.773, 142.790,  -4.744)  ( 0.06,  0.06,  6.03)
170:     bond    (-39.328, -45.304,   0.742)  (-39.285, -45.259,   0.742)  ( 0.11,  0.10,  0.03)
170:     angle   (108.956, 100.526,  -1.495)  (108.984, 100.556,  -1.495)  ( 0.03,  0.03,  0.00)
170:     torsion ( -0.239,   0.068,   2.388)  ( -0.239,   0.068,   2.407)  ( 0.00,  0.00,  0.80)
170:     oop     ( -0.011,  -0.015,  -1.688)  ( -0.009,  -0.013,  -1.402)  ( 0.00,  0.00, 16.93)
170:     vdw     ( 62.322,  87.435,  -4.995)  ( 62.324,  87.438,  -4.995)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       ( 79.288,  88.861,  -5.940)  ( 79.309,  88.889,  -6.055)  ( 0.03,  0.03,  1.93)
170:     bond    ( 34.251,  59.094,  -0.793)  ( 34.260,  59.119,  -0.793)  ( 0.02,  0.04,  0.02)
170:     angle   (-11.405,   6.603,   0.172)  (-11.396,   6.606,   0.172)  ( 0.08,  0.05,  0.00)
170:     torsion (  0.029,   0.039,   4.126)  (  0.029,   0.039,   4.129)  ( 0.00,  0.00,  0.09)
170:     oop     (  0.005,   0.007,   0.781)  (  0.005,   0.006,   0.663)  ( 0.00,  0.00,  9.23)
170:     vdw     ( 56.408,  23.118, -10.227)  ( 56.411,  23.119, -10.227)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (-182.051, 166.429,  -7.813)  (-181.992, 166.491,  -7.960)  ( 0.03,  0.04,  1.88)
170:     bond    (-39.410,  95.923,  -0.988)  (-39.370,  95.959,  -0.988)  ( 0.10,  0.04,  0.02)
170:     angle   (-109.318,  15.492,   3.850)  (-109.301,  15.517,   3.853)  ( 0.02,  0.16,  0.06)
170:     torsion ( -0.591,  -0.333, -11.745)  ( -0.591,  -0.333, -11.729)  ( 0.00,  0.00,  0.13)
170:     oop     (  0.000,   0.002,   1.006)  (  0.000,   0.002,   0.841)  ( 0.00,  0.00, 16.39)
170:     vdw     (-32.732,  55.345,   0.063)  (-32.732,  55.346,   0.063)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       ( 82.852, -217.208, -27.768)  ( 82.921, -217.147, -27.253)  ( 0.08,  0.03,  1.85)
170:     bond    (103.129, -71.073,   0.420)  (103.176, -71.040,   0.419)  ( 0.05,  0.05,  0.01)
170:     angle   ( 14.800, -138.621,  -2.387)  ( 14.823, -138.595,  -2.387)  ( 0.16,  0.02,  0.04)
170:     torsion (  0.228,  -0.269, -19.945)  (  0.228,  -0.269, -19.923)  ( 0.00,  0.00,  0.11)
170:     oop     (  0.013,   0.003,  -3.052)  (  0.011,   0.003,  -2.558)  ( 0.00,  0.00, 16.19)
170:     vdw     (-35.317,  -7.247,  -2.804)  (-35.316,  -7.246,  -2.804)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (-107.292, -13.736,  -1.515)  (-107.256, -13.723,  -1.763)  ( 0.03,  0.09, 16.41)
170:     bond    (-79.086,   1.050,  -0.525)  (-79.052,   1.050,  -0.525)  ( 0.04,  0.03,  0.02)
170:     angle   (  0.265,  19.773,  -0.294)  (  0.265,  19.784,  -0.294)  ( 0.00,  0.06,  0.01)
170:     torsion ( -0.008,   0.006,   1.224)  ( -0.008,   0.006,   1.228)  ( 0.00,  0.00,  0.33)
170:     oop     ( -0.009,  -0.002,   1.346)  ( -0.007,  -0.001,   1.094)  ( 0.00,  0.00, 18.72)
170:     vdw     (-28.454, -34.564,  -3.267)  (-28.453, -34.562,  -3.267)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (-172.086,  17.247, -12.385)  (-172.027,  17.299, -12.279)  ( 0.03,  0.30,  0.86)
170:     bond    (-38.220, -32.802,  -1.579)  (-38.178, -32.765,  -1.579)  ( 0.11,  0.11,  0.04)
170:     angle   (-138.590,  57.157,   0.565)  (-138.571,  57.174,   0.567)  ( 0.01,  0.03,  0.11)
170:     torsion (  0.161,   0.048, -10.926)  (  0.161,   0.048, -10.901)  ( 0.00,  0.00,  0.23)
170:     oop     (  0.004,   0.008,  -0.407)  (  0.003,   0.007,  -0.328)  ( 0.00,  0.00,  3.21)
170:     vdw     (  4.559,  -7.165,  -0.038)  (  4.559,  -7.165,  -0.038)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (169.232,  18.020,   5.417)  (169.270,  18.061,   5.349)  ( 0.02,  0.22,  1.25)
170:     bond    (-55.806,   6.948,   0.149)  (-55.784,   6.982,   0.149)  ( 0.04,  0.49,  0.01)
170:     angle   (244.355,  31.756,  -3.708)  (244.371,  31.761,  -3.707)  ( 0.01,  0.02,  0.04)
170:     torsion (  0.150,  -0.110,   9.934)  (  0.150,  -0.110,   9.943)  ( 0.00,  0.00,  0.09)
170:     oop     (  0.003,  -0.006,   0.421)  (  0.002,  -0.005,   0.343)  ( 0.00,  0.00,  3.31)
170:     vdw     (-19.470, -20.567,  -1.378)  (-19.470, -20.567,  -1.379)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (-12.606,  65.636,  -0.581)  (-12.553,  65.688,  -0.517)  ( 0.42,  0.08,  3.76)
170:     bond    (  5.458,  28.969,   0.248)  (  5.496,  29.002,   0.248)  ( 0.70,  0.11,  0.01)
170:     angle   (-33.346,  33.342,   0.302)  (-33.332,  33.362,   0.303)  ( 0.04,  0.06,  0.03)
170:     torsion ( -0.008,   0.046,  -1.233)  ( -0.008,   0.046,  -1.216)  ( 0.00,  0.00,  1.42)
170:     oop     ( -0.001,   0.004,  -0.208)  ( -0.001,   0.003,  -0.162)  ( 0.00,  0.00,  0.95)
170:     vdw     ( 15.292,   3.276,   0.310)  ( 15.292,   3.276,   0.310)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (121.758,  22.361,  13.948)  (121.796,  22.396,  13.907)  ( 0.03,  0.16,  0.29)
170:     bond    (132.390,  45.819,   4.435)  (132.415,  45.839,   4.454)  ( 0.02,  0.04,  0.41)
170:     angle   ( -2.089,  -2.617,  -0.059)  ( -2.077,  -2.605,  -0.050)  ( 0.56,  0.48,  0.05)
170:     torsion ( -0.309,   0.397,   9.614)  ( -0.309,   0.399,   9.619)  ( 0.01,  0.06,  0.06)
170:     oop     ( -0.003,  -0.005,   0.279)  ( -0.002,  -0.004,   0.205)  ( 0.00,  0.00,  2.04)
170:     vdw     ( -8.231, -21.233,  -0.321)  ( -8.231, -21.233,  -0.321)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (-99.503, -29.622,   1.878)  (-99.465, -29.589,   1.866)  ( 0.04,  0.11,  0.61)
170:     bond    (-143.684,  -2.026,   1.231)  (-143.658,  -2.008,   1.249)  ( 0.02,  0.90,  1.49)
170:     angle   (  5.465,   2.016,  -2.523)  (  5.477,   2.029,  -2.514)  ( 0.21,  0.64,  0.34)
170:     torsion (  0.033,  -0.108,   2.900)  (  0.033,  -0.108,   2.903)  ( 0.00,  0.00,  0.10)
170:     oop     (  0.003,   0.000,   0.231)  (  0.002,   0.000,   0.189)  ( 0.00,  0.00,  0.95)
170:     vdw     ( 38.681, -29.504,   0.040)  ( 38.682, -29.503,   0.039)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       ( 37.582, -74.411,   1.587)  ( 37.616, -74.375,   1.573)  ( 0.09,  0.05,  0.86)
170:     bond    ( 71.123, -130.243,   0.491)  ( 71.143, -130.219,   0.509)  ( 0.03,  0.02,  0.90)
170:     angle   ( -1.091,   8.131,  -4.336)  ( -1.079,   8.143,  -4.327)  ( 1.15,  0.15,  0.20)
170:     torsion (  0.265,   0.210,   5.207)  (  0.264,   0.209,   5.209)  ( 0.02,  0.00,  0.03)
170:     oop     ( -0.001,   0.003,   0.268)  ( -0.001,   0.002,   0.226)  ( 0.00,  0.00,  1.12)
170:     vdw     (-32.714,  47.488,  -0.043)  (-32.712,  47.489,  -0.043)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       (  3.920,  23.932,   2.654)  (  3.926,  23.948,   2.615)  ( 0.15,  0.07,  1.49)
170:     bond    ( -0.122,  26.490,   0.583)  ( -0.122,  26.505,   0.584)  ( 0.00,  0.06,  0.01)
170:     angle   ( -1.585,   0.003,  -0.446)  ( -1.579,   0.003,  -0.446)  ( 0.35,  0.00,  0.01)
170:     torsion (  0.009,  -0.051,   2.319)  (  0.009,  -0.051,   2.323)  ( 0.00,  0.00,  0.18)
170:     oop     (  0.000,  -0.004,   0.190)  (  0.000,  -0.003,   0.147)  ( 0.00,  0.00,  0.83)
170:     vdw     (  5.617,  -2.505,   0.007)  (  5.617,  -2.505,   0.007)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       (-12.966, -57.351,   0.642)  (-12.962, -57.337,   0.645)  ( 0.03,  0.02,  0.16)
170:     bond    ( -0.882, -53.411,  -2.255)  ( -0.883, -53.397,  -2.256)  ( 0.02,  0.03,  0.01)
170:     angle   (  3.775,  -0.050,  -0.306)  (  3.779,  -0.050,  -0.304)  ( 0.10,  0.00,  0.06)
170:     torsion ( -0.013,  -0.150,   3.548)  ( -0.013,  -0.150,   3.549)  ( 0.00,  0.00,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-15.846,  -3.741,  -0.345)  (-15.846,  -3.741,  -0.345)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       (-29.773,  13.507,  42.731)  (-29.768,  13.511,  42.741)  ( 0.02,  0.03,  0.02)
170:     bond    (-23.962,  15.581,  42.293)  (-23.959,  15.583,  42.302)  ( 0.01,  0.01,  0.02)
170:     angle   ( -0.566,  -0.453,  -0.154)  ( -0.563,  -0.450,  -0.153)  ( 0.15,  0.10,  0.01)
170:     torsion ( -0.955,   2.888,  -1.605)  ( -0.955,   2.888,  -1.605)  ( 0.01,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -4.291,  -4.509,   2.197)  ( -4.291,  -4.509,   2.197)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       (-28.873,  10.784, -48.345)  (-28.867,  10.788, -48.335)  ( 0.02,  0.04,  0.02)
170:     bond    (-24.956,  20.128, -43.024)  (-24.953,  20.130, -43.016)  ( 0.01,  0.01,  0.02)
170:     angle   (  0.068,  -0.407,  -0.231)  (  0.070,  -0.404,  -0.230)  ( 0.02,  0.09,  0.02)
170:     torsion (  1.119,  -3.172,  -2.133)  (  1.119,  -3.171,  -2.133)  ( 0.00,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -5.103,  -5.766,  -2.956)  ( -5.103,  -5.766,  -2.956)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       ( 23.298,  35.268, -45.037)  ( 23.302,  35.270, -45.025)  ( 0.02,  0.01,  0.03)
170:     bond    ( 17.270,  13.747, -49.394)  ( 17.271,  13.748, -49.382)  ( 0.01,  0.00,  0.02)
170:     angle   (  0.687,  -0.016,   0.237)  (  0.690,  -0.014,   0.237)  ( 0.23,  0.00,  0.01)
170:     torsion ( -0.153,  23.491,   6.486)  ( -0.153,  23.491,   6.486)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  5.494,  -1.954,  -2.366)  (  5.494,  -1.954,  -2.366)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       ( 49.465, -47.655,  -7.150)  ( 49.470, -47.643,  -7.148)  ( 0.01,  0.03,  0.03)
170:     bond    ( 19.007, -49.046,  12.655)  ( 19.008, -49.035,  12.656)  ( 0.01,  0.02,  0.00)
170:     angle   ( -5.104,  -1.936,   0.159)  ( -5.101,  -1.936,   0.161)  ( 0.06,  0.03,  0.03)
170:     torsion ( -0.199,  -6.185, -23.664)  ( -0.199,  -6.185, -23.664)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 35.760,   9.512,   3.699)  ( 35.761,   9.512,   3.699)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       ( 39.119,  10.672,  60.557)  ( 39.124,  10.680,  60.564)  ( 0.01,  0.07,  0.01)
170:     bond    ( 18.322,  36.440,  36.440)  ( 18.324,  36.446,  36.446)  ( 0.01,  0.02,  0.02)
170:     angle   ( -1.098,   0.558,  -0.010)  ( -1.095,   0.559,  -0.009)  ( 0.30,  0.07,  0.00)
170:     torsion (  0.352, -17.349,  17.172)  (  0.352, -17.349,  17.172)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 21.543,  -8.977,   6.954)  ( 21.543,  -8.977,   6.954)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       (-35.374,  34.391,  58.122)  (-35.364,  34.395,  58.128)  ( 0.03,  0.01,  0.01)
170:     bond    (-43.660,  -2.568,  33.124)  (-43.652,  -2.568,  33.129)  ( 0.02,  0.01,  0.01)
170:     angle   (  0.091,  -2.152,  -0.047)  (  0.092,  -2.149,  -0.046)  ( 0.01,  0.16,  0.01)
170:     torsion ( 11.893,   6.719,  16.191)  ( 11.893,   6.719,  16.191)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.697,  32.392,   8.854)  ( -3.697,  32.393,   8.854)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       (-10.234,  81.938,   8.082)  (-10.225,  81.948,   8.084)  ( 0.08,  0.01,  0.03)
170:     bond    ( 33.600,  40.238,  17.334)  ( 33.605,  40.245,  17.335)  ( 0.01,  0.02,  0.01)
170:     angle   (  5.938,  -5.064,   0.237)  (  5.940,  -5.063,   0.239)  ( 0.04,  0.03,  0.04)
170:     torsion (  6.440,   3.280, -20.101)  (  6.440,   3.280, -20.101)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-56.212,  43.484,  10.612)  (-56.211,  43.485,  10.612)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       (-36.608,   7.264, -47.950)  (-36.605,   7.267, -47.938)  ( 0.01,  0.05,  0.03)
170:     bond    (-16.227,  10.670, -49.969)  (-16.226,  10.670, -49.957)  ( 0.01,  0.00,  0.02)
170:     angle   ( -0.546,   1.436,   0.484)  ( -0.544,   1.439,   0.484)  ( 0.11,  0.22,  0.02)
170:     torsion (-18.485, -10.083,   3.851)  (-18.486, -10.083,   3.851)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.349,   5.242,  -2.315)  ( -1.349,   5.242,  -2.315)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 20 # gradients 
170: ok 21 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (-153.373, -69.971,  55.658)  (-153.332, -69.935,  55.694)  ( 0.03,  0.05,  0.07)
170:     bond    (-118.434, -27.963, 117.758)  (-118.409, -27.941, 117.778)  ( 0.02,  0.08,  0.02)
170:     angle   ( -7.105, -15.058, -47.730)  ( -7.090, -15.044, -47.715)  ( 0.21,  0.09,  0.03)
170:     torsion (-10.090,  -9.856, -13.607)  (-10.088,  -9.856, -13.605)  ( 0.01,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-17.745, -17.094,  -0.764)  (-17.744, -17.094,  -0.764)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       ( -6.942,  13.081,  20.181)  ( -6.908,  13.113,  20.212)  ( 0.49,  0.24,  0.15)
170:     bond    ( 93.283, -23.271, -11.981)  ( 93.302, -23.251, -11.964)  ( 0.02,  0.09,  0.15)
170:     angle   (-28.134,  11.848,  54.240)  (-28.122,  11.859,  54.251)  ( 0.04,  0.09,  0.02)
170:     torsion (-32.898,  14.666,   8.358)  (-32.896,  14.667,   8.361)  ( 0.00,  0.01,  0.03)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-39.193,   9.837, -30.436)  (-39.192,   9.837, -30.436)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       ( 22.168,   8.186, -22.647)  ( 22.201,   8.219, -22.615)  ( 0.15,  0.41,  0.14)
170:     bond    ( 34.130, -72.157, 129.290)  ( 34.151, -72.139, 129.309)  ( 0.06,  0.03,  0.01)
170:     angle   ( -1.163,  40.049, -91.327)  ( -1.152,  40.060, -91.316)  ( 0.98,  0.03,  0.01)
170:     torsion (  9.461,  19.306, -33.473)  (  9.462,  19.309, -33.471)  ( 0.01,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-20.260,  20.988, -27.137)  (-20.259,  20.989, -27.136)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       ( 19.565, -52.815,  20.846)  ( 19.599, -52.756,  21.009)  ( 0.17,  0.11,  0.78)
170:     bond    ( 48.823,  84.861, -70.006)  ( 48.843,  84.880, -69.987)  ( 0.04,  0.02,  0.03)
170:     angle   ( -5.522, -77.195,  86.084)  ( -5.510, -77.183,  86.093)  ( 0.22,  0.02,  0.01)
170:     torsion (-12.453, -18.900,  -6.728)  (-12.453, -18.900,  -6.726)  ( 0.00,  0.00,  0.03)
170:     oop     ( -0.003,  -0.171,  -0.864)  ( -0.003,  -0.144,  -0.731)  ( 0.00,  0.46, 11.49)
170:     vdw     (-11.280, -41.409,  12.360)  (-11.279, -41.408,  12.360)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-74.504,  88.704, -49.250)  (-74.460,  88.676, -49.561)  ( 0.06,  0.03,  0.63)
170:     bond    (-49.325,  74.332,  -9.055)  (-49.296,  74.356,  -9.054)  ( 0.06,  0.03,  0.02)
170:     angle   (-37.756,  68.135, -81.092)  (-37.744,  68.149, -81.087)  ( 0.03,  0.02,  0.01)
170:     torsion (  9.057,  -4.154,  31.762)  (  9.058,  -4.154,  31.771)  ( 0.00,  0.02,  0.03)
170:     oop     ( -0.002,   0.412,   2.075)  ( -0.002,   0.345,   1.748)  ( 0.00,  2.74, 15.78)
170:     vdw     (  3.522, -50.020,   7.060)  (  3.523, -50.020,   7.060)  ( 0.04,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       ( 33.890, -79.244,  24.868)  ( 33.942, -79.224,  24.727)  ( 0.15,  0.03,  0.56)
170:     bond    ( -0.246,  24.304,  -2.518)  ( -0.216,  24.326,  -2.517)  ( 0.72,  0.09,  0.05)
170:     angle   ( 17.675, -45.694,  20.609)  ( 17.684, -45.680,  20.610)  ( 0.05,  0.03,  0.01)
170:     torsion ( -2.010,  -7.625, -12.160)  ( -2.010,  -7.624, -12.145)  ( 0.01,  0.01,  0.13)
170:     oop     ( -0.087,   0.129,   1.010)  ( -0.074,   0.111,   0.851)  ( 0.12,  0.23, 15.68)
170:     vdw     ( 18.558, -50.358,  17.928)  ( 18.559, -50.356,  17.928)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       ( -6.479,  29.201, -24.347)  ( -6.453,  29.250, -24.212)  ( 0.41,  0.17,  0.56)
170:     bond    (-86.066,  82.942,   2.549)  (-86.047,  82.962,   2.567)  ( 0.02,  0.02,  0.71)
170:     angle   ( 65.451, -10.781, -20.767)  ( 65.463, -10.769, -20.759)  ( 0.02,  0.11,  0.04)
170:     torsion (  4.651, -11.128, -21.212)  (  4.652, -11.128, -21.208)  ( 0.02,  0.01,  0.02)
170:     oop     (  0.039,  -0.090,  -0.588)  (  0.033,  -0.075,  -0.483)  ( 0.03,  0.14,  6.18)
170:     vdw     (  9.445, -31.740,  15.670)  (  9.446, -31.740,  15.671)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (-50.352, -14.112,  19.394)  (-50.316, -14.075,  19.428)  ( 0.07,  0.26,  0.18)
170:     bond    ( -4.083, -21.222, -134.545)  ( -4.063, -21.202, -134.526)  ( 0.49,  0.09,  0.01)
170:     angle   (-64.949,  37.155, 145.170)  (-64.935,  37.168, 145.182)  ( 0.02,  0.04,  0.01)
170:     torsion (-11.505,  -5.383,   9.994)  (-11.504,  -5.381,   9.996)  ( 0.01,  0.04,  0.03)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 30.185, -24.662,  -1.225)  ( 30.186, -24.661,  -1.224)  ( 0.00,  0.00,  0.02)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       ( 19.680,  49.353,  29.199)  ( 19.719,  49.388,  29.233)  ( 0.20,  0.07,  0.12)
170:     bond    (-47.975,  73.579,  64.884)  (-47.954,  73.599,  64.903)  ( 0.05,  0.03,  0.03)
170:     angle   ( 40.405,  20.098, -37.865)  ( 40.420,  20.112, -37.852)  ( 0.04,  0.07,  0.03)
170:     torsion ( -6.307, -21.411, -22.443)  ( -6.305, -21.409, -22.440)  ( 0.03,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 33.556, -22.914,  24.622)  ( 33.557, -22.913,  24.623)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       ( 15.692,   0.042, -50.217)  ( 15.721,   0.074, -50.188)  ( 0.19,  0.14,  0.06)
170:     bond    ( 17.964, 117.602, -67.197)  ( 17.982, 117.622, -67.178)  ( 0.10,  0.02,  0.03)
170:     angle   (-40.242, -75.341,  51.453)  (-40.231, -75.329,  51.464)  ( 0.03,  0.02,  0.02)
170:     torsion (  5.566, -24.566, -27.007)  (  5.566, -24.565, -27.008)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 32.404, -17.654,  -7.466)  ( 32.405, -17.653,  -7.466)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (-21.940,   1.245, -20.594)  (-21.909,   1.274, -20.565)  ( 0.15,  2.34,  0.14)
170:     bond    (-151.842, -12.958, -56.391)  (-151.822, -12.939, -56.372)  ( 0.01,  0.14,  0.03)
170:     angle   (120.348,  37.858,  32.910)  (120.361,  37.868,  32.920)  ( 0.01,  0.03,  0.03)
170:     torsion ( -1.948,   4.264,   6.229)  ( -1.949,   4.263,   6.228)  ( 0.03,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 11.501, -27.918,  -3.341)  ( 11.501, -27.917,  -3.341)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (-34.430,  10.516,  70.214)  (-34.397,  10.554,  70.245)  ( 0.10,  0.36,  0.04)
170:     bond    (-90.912, 117.802, 125.753)  (-90.893, 117.824, 125.773)  ( 0.02,  0.02,  0.02)
170:     angle   ( 31.272, -134.270, -78.723)  ( 31.285, -134.256, -78.712)  ( 0.04,  0.01,  0.01)
170:     torsion ( 10.256,  30.515,   9.567)  ( 10.257,  30.516,   9.568)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 14.953,  -3.531,  13.616)  ( 14.954,  -3.530,  13.617)  ( 0.00,  0.02,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (  1.059,  33.761, -43.609)  (  1.093,  33.795, -43.577)  ( 3.21,  0.10,  0.07)
170:     bond    (132.862, -184.020, -37.633)  (132.882, -184.000, -37.613)  ( 0.02,  0.01,  0.05)
170:     angle   (-133.412, 190.940,  17.812)  (-133.399, 190.953,  17.823)  ( 0.01,  0.01,  0.06)
170:     torsion ( -3.930,  23.835, -14.652)  ( -3.929,  23.837, -14.651)  ( 0.02,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  5.539,   3.005,  -9.136)  (  5.539,   3.005,  -9.136)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       ( -9.168,  -5.874,  -3.147)  ( -9.136,  -5.841,  -3.117)  ( 0.35,  0.56,  0.96)
170:     bond    (-159.132, 160.549, -91.198)  (-159.112, 160.569, -91.179)  ( 0.01,  0.01,  0.02)
170:     angle   (137.891, -183.388,  64.718)  (137.902, -183.377,  64.727)  ( 0.01,  0.01,  0.01)
170:     torsion (  6.365,   0.090,  14.498)  (  6.366,   0.091,  14.500)  ( 0.01,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  5.708,  16.876,   8.835)  (  5.708,  16.877,   8.835)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       (-22.747,  -7.527,  -2.453)  (-22.715,  -7.494,  -2.424)  ( 0.14,  0.44,  1.22)
170:     bond    ( 76.533, -190.531,  43.415)  ( 76.553, -190.512,  43.434)  ( 0.03,  0.01,  0.04)
170:     angle   (-103.016, 195.873, -65.251)  (-103.005, 195.885, -65.243)  ( 0.01,  0.01,  0.01)
170:     torsion ( -9.947,   8.312,  -0.300)  ( -9.946,   8.313,  -0.297)  ( 0.01,  0.01,  0.06)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 13.682, -21.181,  19.682)  ( 13.683, -21.180,  19.683)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       ( -8.745,   0.117,  51.246)  ( -8.712,   0.149,  51.276)  ( 0.37,  0.37,  0.06)
170:     bond    (-75.225, 151.138, -61.792)  (-75.205, 151.157, -61.773)  ( 0.03,  0.01,  0.03)
170:     angle   ( 62.075, -144.854,  68.861)  ( 62.087, -144.843,  68.870)  ( 0.02,  0.01,  0.01)
170:     torsion (  7.495,  -5.083,  45.088)  (  7.495,  -5.082,  45.090)  ( 0.00,  0.02,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.090,  -1.084,  -0.911)  ( -3.090,  -1.084,  -0.911)  ( 0.01,  0.04,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       ( 25.523,   1.799,  -0.167)  ( 25.556,   1.834,  -0.136)  ( 0.13,  1.97,  0.52)
170:     bond    (-18.136, -82.738, 108.231)  (-18.117, -82.716, 108.249)  ( 0.11,  0.03,  0.02)
170:     angle   ( 17.917,  69.072, -92.513)  ( 17.930,  69.084, -92.502)  ( 0.07,  0.02,  0.01)
170:     torsion ( 17.104,  12.259, -16.637)  ( 17.105,  12.260, -16.635)  ( 0.01,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  8.639,   3.206,   0.752)  (  8.639,   3.206,   0.752)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       ( -1.860, -10.840,  31.164)  ( -1.831, -10.812,  31.192)  ( 1.59,  0.26,  0.09)
170:     bond    ( 59.323, -67.341, -22.835)  ( 59.341, -67.322, -22.816)  ( 0.03,  0.03,  0.08)
170:     angle   (-73.315,  25.387,  34.174)  (-73.305,  25.396,  34.183)  ( 0.01,  0.03,  0.03)
170:     torsion ( 17.309,   4.534,  25.099)  ( 17.310,   4.534,  25.101)  ( 0.00,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -5.178,  26.580,  -5.275)  ( -5.177,  26.580,  -5.275)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       (-12.415, -17.062, -31.821)  (-12.385, -17.032, -31.792)  ( 0.24,  0.17,  0.09)
170:     bond    (-106.875,  -6.292, -41.131)  (-106.856,  -6.274, -41.113)  ( 0.02,  0.29,  0.04)
170:     angle   ( 56.550,  -8.060,  40.383)  ( 56.559,  -8.051,  40.392)  ( 0.02,  0.12,  0.02)
170:     torsion ( 10.529,  -5.637, -24.337)  ( 10.530,  -5.635, -24.336)  ( 0.00,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 27.381,   2.927,  -6.735)  ( 27.381,   2.928,  -6.735)  ( 0.00,  0.02,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       (-21.251,   7.931,  21.259)  (-21.222,   7.962,  21.288)  ( 0.14,  0.38,  0.14)
170:     bond    ( 23.687, -49.666, 112.171)  ( 23.705, -49.648, 112.191)  ( 0.08,  0.04,  0.02)
170:     angle   (  5.209,  34.652, -63.076)  (  5.219,  34.662, -63.067)  ( 0.18,  0.03,  0.01)
170:     torsion (-21.776,  -6.463,   0.221)  (-21.775,  -6.461,   0.222)  ( 0.01,  0.02,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-28.372,  29.408, -28.058)  (-28.371,  29.410, -28.058)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       ( 24.080, -69.418, -20.760)  ( 24.120, -69.382, -20.722)  ( 0.16,  0.05,  0.18)
170:     bond    (135.254, -12.790, -16.925)  (135.277, -12.771, -16.904)  ( 0.02,  0.15,  0.12)
170:     angle   (-108.854, -51.139, -21.709)  (-108.838, -51.125, -21.694)  ( 0.01,  0.03,  0.07)
170:     torsion (-15.523, -14.689,  20.072)  (-15.522, -14.687,  20.073)  ( 0.01,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 13.203,   9.200,  -2.198)  ( 13.203,   9.201,  -2.198)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       (  5.068,  -3.362,  12.702)  (  5.098,  -3.332,  12.731)  ( 0.59,  0.88,  0.24)
170:     bond    ( 36.092, -60.119, -133.482)  ( 36.109, -60.101, -133.463)  ( 0.05,  0.03,  0.01)
170:     angle   (-21.003,  23.373,  98.749)  (-20.993,  23.382,  98.758)  ( 0.05,  0.04,  0.01)
170:     torsion (  4.464, -11.648,   6.174)  (  4.466, -11.646,   6.175)  ( 0.03,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-14.485,  45.031,  41.261)  (-14.484,  45.032,  41.261)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       ( -1.075,  35.661, -27.232)  ( -1.043,  35.694, -27.200)  ( 3.02,  0.09,  0.12)
170:     bond    (-59.491, -98.316, 109.543)  (-59.471, -98.297, 109.562)  ( 0.03,  0.02,  0.02)
170:     angle   ( 78.747,  50.708, -103.048)  ( 78.758,  50.719, -103.037)  ( 0.01,  0.02,  0.01)
170:     torsion ( -2.005,  47.425,  -9.989)  ( -2.004,  47.427,  -9.987)  ( 0.04,  0.00,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-18.327,  35.843, -23.738)  (-18.326,  35.844, -23.737)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       (-21.460,  28.710,  24.501)  (-21.427,  28.742,  24.531)  ( 0.16,  0.11,  0.13)
170:     bond    (149.796, -96.925, -10.303)  (149.815, -96.904, -10.285)  ( 0.01,  0.02,  0.18)
170:     angle   (-115.617,  81.993,  71.317)  (-115.605,  82.004,  71.327)  ( 0.01,  0.01,  0.01)
170:     torsion (-28.846,  17.622,   6.086)  (-28.845,  17.623,   6.089)  ( 0.00,  0.01,  0.04)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-26.793,  26.019, -42.600)  (-26.792,  26.020, -42.599)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       (  4.159, -42.273, -21.119)  (  4.195, -42.234, -21.085)  ( 0.87,  0.09,  0.16)
170:     bond    (-129.458,  -4.452, 152.042)  (-129.438,  -4.431, 152.061)  ( 0.02,  0.47,  0.01)
170:     angle   (127.747, -66.671, -101.924)  (127.761, -66.657, -101.913)  ( 0.01,  0.02,  0.01)
170:     torsion ( 15.740, -13.912, -52.855)  ( 15.741, -13.910, -52.852)  ( 0.01,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -9.870,  42.763, -18.381)  ( -9.869,  42.764, -18.381)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 26       ( 54.252,   2.864,  38.220)  ( 54.289,   2.927,  38.404)  ( 0.07,  2.20,  0.48)
170:     bond    (116.744,   8.696, -58.261)  (116.765,   8.717, -58.240)  ( 0.02,  0.24,  0.04)
170:     angle   (-44.442, -21.743,  72.828)  (-44.426, -21.729,  72.841)  ( 0.04,  0.07,  0.02)
170:     torsion ( -9.082,  -1.376,  27.007)  ( -9.081,  -1.373,  27.010)  ( 0.01,  0.19,  0.01)
170:     oop     (  0.010,  -0.147,  -0.875)  (  0.007,  -0.123,  -0.729)  ( 0.00,  0.36, 12.86)
170:     vdw     ( -8.978,  17.434,  -2.478)  ( -8.977,  17.435,  -2.478)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       ( -4.690,  -0.608, -12.611)  ( -4.661,  -0.578, -12.582)  ( 0.63,  1.82,  0.24)
170:     bond    ( 38.557, -66.637, -124.644)  ( 38.575, -66.619, -124.625)  ( 0.05,  0.03,  0.02)
170:     angle   (-16.684,  68.990,  73.148)  (-16.674,  69.000,  73.157)  ( 0.06,  0.01,  0.01)
170:     torsion (-18.479, -14.465,   0.974)  (-18.478, -14.463,   0.974)  ( 0.01,  0.01,  0.04)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.085,  11.503,  37.911)  ( -8.084,  11.504,  37.911)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 28       (141.957,  62.584,  24.275)  (141.982,  62.594,  24.302)  ( 0.02,  0.02,  0.11)
170:     bond    (187.677,  96.952,   6.946)  (187.700,  96.958,   6.963)  ( 0.01,  0.01,  0.25)
170:     angle   (-29.664,   0.677,  50.012)  (-29.662,   0.680,  50.021)  ( 0.01,  0.21,  0.02)
170:     torsion ( -0.245, -22.328, -25.408)  ( -0.245, -22.328, -25.407)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-15.811, -12.717,  -7.275)  (-15.810, -12.717,  -7.275)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 29       ( 44.583,  -7.909, -27.026)  ( 44.587,  -7.903, -27.014)  ( 0.01,  0.08,  0.04)
170:     bond    (  3.150,  -7.872, -16.573)  (  3.150,  -7.869, -16.562)  ( 0.01,  0.03,  0.07)
170:     angle   ( -2.086,  -9.527,   4.128)  ( -2.083,  -9.524,   4.129)  ( 0.15,  0.03,  0.02)
170:     torsion ( 36.936,   6.164,   4.096)  ( 36.937,   6.164,   4.096)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  6.582,   3.325, -18.678)  (  6.583,   3.326, -18.677)  ( 0.01,  0.02,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 30       (-15.966,  20.151,  24.480)  (-15.961,  20.156,  24.493)  ( 0.03,  0.03,  0.05)
170:     bond    ( -7.259,  10.575,  35.044)  ( -7.259,  10.576,  35.056)  ( 0.00,  0.01,  0.03)
170:     angle   ( -6.563,   7.386,  -3.588)  ( -6.559,   7.389,  -3.587)  ( 0.05,  0.04,  0.01)
170:     torsion (-23.887,  13.197,  -8.927)  (-23.886,  13.198,  -8.927)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 21.742, -11.007,   1.952)  ( 21.743, -11.006,   1.952)  ( 0.01,  0.01,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 31       ( 28.424,   7.133, -42.440)  ( 28.429,   7.138, -42.428)  ( 0.02,  0.08,  0.03)
170:     bond    (  3.220,  -5.723, -17.457)  (  3.220,  -5.722, -17.445)  ( 0.01,  0.02,  0.07)
170:     angle   ( -2.774,  10.732,  -4.033)  ( -2.771,  10.735,  -4.032)  ( 0.12,  0.03,  0.01)
170:     torsion ( 22.776,  30.753,  -5.883)  ( 22.777,  30.754,  -5.883)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  5.202, -28.629, -15.067)  (  5.203, -28.628, -15.067)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 32       ( 94.571,  22.195, -55.139)  ( 94.577,  22.200, -55.127)  ( 0.01,  0.02,  0.02)
170:     bond    (  6.823, -15.057, -30.941)  (  6.824, -15.054, -30.931)  ( 0.01,  0.02,  0.03)
170:     angle   ( 14.968,  11.099,  -2.101)  ( 14.971,  11.102,  -2.101)  ( 0.02,  0.03,  0.03)
170:     torsion ( 41.437,  24.281,  -2.676)  ( 41.437,  24.281,  -2.676)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 31.343,   1.871, -19.420)  ( 31.344,   1.872, -19.420)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 33       (-25.643,   6.133, -28.436)  (-25.635,   6.137, -28.427)  ( 0.03,  0.06,  0.03)
170:     bond    (-20.780,   4.981, -23.834)  (-20.774,   4.982, -23.826)  ( 0.03,  0.00,  0.03)
170:     angle   ( 17.263,  -7.511, -16.624)  ( 17.264,  -7.508, -16.622)  ( 0.01,  0.04,  0.01)
170:     torsion (-14.457,   3.681,  13.374)  (-14.456,   3.681,  13.374)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -7.669,   4.981,  -1.353)  ( -7.669,   4.982,  -1.352)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 34       ( 21.404,   9.267,  51.371)  ( 21.409,   9.272,  51.382)  ( 0.03,  0.06,  0.02)
170:     bond    (-15.107,  13.559,  27.613)  (-15.105,  13.561,  27.622)  ( 0.02,  0.02,  0.03)
170:     angle   ( 27.787,  -5.154,  17.724)  ( 27.789,  -5.151,  17.725)  ( 0.01,  0.05,  0.01)
170:     torsion ( 30.926,  -5.029,  19.380)  ( 30.927,  -5.029,  19.381)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-22.202,   5.891, -13.347)  (-22.202,   5.891, -13.346)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 35       ( 16.406, -38.434, -25.285)  ( 16.411, -38.430, -25.273)  ( 0.03,  0.01,  0.05)
170:     bond    (  9.915,  -9.714, -27.660)  (  9.916,  -9.713, -27.649)  ( 0.01,  0.01,  0.04)
170:     angle   ( 12.153,  -6.961,   6.804)  ( 12.156,  -6.959,   6.804)  ( 0.02,  0.03,  0.01)
170:     torsion (  0.506, -26.055,   9.335)  (  0.506, -26.055,   9.335)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -6.167,   4.296, -13.763)  ( -6.166,   4.297, -13.763)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 36       ( -0.427,  41.149, -10.757)  ( -0.423,  41.163, -10.754)  ( 0.18,  0.03,  0.03)
170:     bond    ( -6.965,  35.011,  -3.353)  ( -6.964,  35.024,  -3.353)  ( 0.01,  0.04,  0.00)
170:     angle   ( 10.464,   3.532,  15.148)  ( 10.467,   3.532,  15.151)  ( 0.03,  0.01,  0.02)
170:     torsion (  7.604,   0.364, -11.995)  (  7.604,   0.364, -11.994)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-11.531,   2.243, -10.558)  (-11.530,   2.243, -10.558)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 37       ( -8.832,  62.541,  30.027)  ( -8.828,  62.544,  30.039)  ( 0.05,  0.00,  0.04)
170:     bond    (-10.934,   3.951,  30.250)  (-10.933,   3.951,  30.262)  ( 0.01,  0.00,  0.04)
170:     angle   ( -6.824,  19.150,  -4.966)  ( -6.821,  19.152,  -4.965)  ( 0.04,  0.01,  0.01)
170:     torsion ( -0.136,  45.168,  -5.947)  ( -0.136,  45.168,  -5.947)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  9.062,  -5.728,  10.689)  (  9.063,  -5.727,  10.689)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 38       (  3.940, -39.525,  28.389)  (  3.944, -39.511,  28.392)  ( 0.12,  0.03,  0.01)
170:     bond    (  5.472, -27.716,  -2.162)  (  5.472, -27.702,  -2.162)  ( 0.01,  0.05,  0.00)
170:     angle   ( 28.211,   6.634, -13.586)  ( 28.215,   6.634, -13.584)  ( 0.01,  0.00,  0.02)
170:     torsion (-11.974,  -5.473,  39.824)  (-11.973,  -5.473,  39.824)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-17.770, -12.970,   4.314)  (-17.769, -12.970,   4.314)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 39       (-11.360,   9.849, -23.675)  (-11.361,   9.882, -23.568)  ( 0.01,  0.33,  0.45)
170:     bond    ( -1.097,  20.505,  -3.627)  ( -1.097,  20.519,  -3.627)  ( 0.01,  0.07,  0.01)
170:     angle   (-28.664,  -1.892,  -2.033)  (-28.661,  -1.892,  -2.033)  ( 0.01,  0.00,  0.00)
170:     torsion (  2.012,  -3.156, -18.466)  (  2.012,  -3.156, -18.462)  ( 0.00,  0.00,  0.02)
170:     oop     (  0.044,  -0.132,  -0.759)  (  0.038,  -0.114,  -0.657)  ( 0.02,  0.23,  7.78)
170:     vdw     ( 16.346,  -5.476,   1.211)  ( 16.347,  -5.476,   1.211)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 40       ( 36.308,   6.034,  29.955)  ( 36.314,   6.038,  29.964)  ( 0.02,  0.07,  0.03)
170:     bond    ( 18.767, -10.397,  28.481)  ( 18.771, -10.396,  28.490)  ( 0.02,  0.01,  0.03)
170:     angle   ( -1.700,   6.406,   3.457)  ( -1.698,   6.409,   3.458)  ( 0.11,  0.05,  0.02)
170:     torsion ( 16.501,  18.716,  -4.044)  ( 16.502,  18.716,  -4.043)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.739,  -8.691,   2.060)  (  2.739,  -8.691,   2.060)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 41       ( -3.055, -21.255, -46.663)  ( -3.049, -21.250, -46.653)  ( 0.18,  0.02,  0.02)
170:     bond    ( 18.481, -11.472, -29.819)  ( 18.484, -11.471, -29.810)  ( 0.02,  0.01,  0.03)
170:     angle   (  2.922,  21.454,  -6.444)  (  2.924,  21.456,  -6.443)  ( 0.07,  0.01,  0.01)
170:     torsion (-22.485, -13.659,  -8.686)  (-22.484, -13.659,  -8.686)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.973, -17.577,  -1.714)  ( -1.973, -17.577,  -1.714)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 42       (-17.819,  36.412,  43.503)  (-17.816,  36.415,  43.517)  ( 0.02,  0.01,  0.03)
170:     bond    ( -7.195,  -1.910,  37.298)  ( -7.195,  -1.910,  37.312)  ( 0.00,  0.01,  0.04)
170:     angle   (-15.370,  18.468,  -2.018)  (-15.367,  18.471,  -2.018)  ( 0.02,  0.01,  0.00)
170:     torsion ( -1.188,  41.884,   1.915)  ( -1.188,  41.884,   1.915)  ( 0.03,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  5.934, -22.031,   6.308)  (  5.934, -22.030,   6.308)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 43       (  4.327, -52.811,   8.132)  (  4.332, -52.800,   8.135)  ( 0.11,  0.02,  0.03)
170:     bond    ( 15.124, -34.548, -10.635)  ( 15.126, -34.538, -10.634)  ( 0.01,  0.03,  0.01)
170:     angle   (  2.229,   8.850, -25.573)  (  2.232,   8.850, -25.570)  ( 0.11,  0.01,  0.01)
170:     torsion (-14.616, -17.750,  36.861)  (-14.616, -17.750,  36.861)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.589,  -9.362,   7.479)  (  1.590,  -9.362,   7.479)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 44       (-18.443,  12.453,  56.330)  (-18.440,  12.458,  56.341)  ( 0.02,  0.04,  0.02)
170:     bond    ( 14.507,  17.400,  38.285)  ( 14.508,  17.402,  38.296)  ( 0.01,  0.01,  0.03)
170:     angle   (-18.110,  22.092,  -3.181)  (-18.108,  22.095,  -3.180)  ( 0.01,  0.01,  0.02)
170:     torsion (-21.422, -19.062,  16.778)  (-21.422, -19.062,  16.778)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  6.582,  -7.977,   4.447)  (  6.582,  -7.977,   4.447)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 45       ( 50.114,  12.768, -16.909)  ( 50.124,  12.772, -16.904)  ( 0.02,  0.03,  0.03)
170:     bond    ( 28.379, -12.263, -17.863)  ( 28.388, -12.261, -17.859)  ( 0.03,  0.01,  0.02)
170:     angle   ( -7.540,  -4.218,  -9.092)  ( -7.539,  -4.216,  -9.090)  ( 0.01,  0.06,  0.02)
170:     torsion ( 15.446,  29.140,   4.546)  ( 15.446,  29.140,   4.545)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 13.829,   0.108,   5.500)  ( 13.830,   0.108,   5.500)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 46       ( 17.258, -74.872, -16.201)  ( 17.261, -74.865, -16.188)  ( 0.02,  0.01,  0.08)
170:     bond    (  2.525,  -6.603, -19.217)  (  2.525,  -6.602, -19.205)  ( 0.00,  0.02,  0.06)
170:     angle   ( -4.537,  11.154,  -4.432)  ( -4.534,  11.157,  -4.431)  ( 0.07,  0.03,  0.01)
170:     torsion (  6.819, -47.163,  17.109)  (  6.819, -47.162,  17.108)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 12.449, -32.261,  -9.660)  ( 12.450, -32.259,  -9.660)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 47       ( -2.346,  17.106,  26.971)  ( -2.338,  17.112,  26.979)  ( 0.34,  0.04,  0.03)
170:     bond    (-24.673,  23.429,  25.665)  (-24.669,  23.434,  25.670)  ( 0.02,  0.02,  0.02)
170:     angle   (-11.688, -14.038,   1.582)  (-11.686, -14.036,   1.584)  ( 0.02,  0.02,  0.12)
170:     torsion (  5.673, -11.971,  16.379)  (  5.673, -11.971,  16.379)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 28.343,  19.686, -16.655)  ( 28.344,  19.686, -16.654)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 48       (  3.916, -11.977, -70.615)  (  3.923, -11.969, -70.610)  ( 0.19,  0.06,  0.01)
170:     bond    ( 23.281, -24.777, -18.786)  ( 23.286, -24.772, -18.783)  ( 0.02,  0.02,  0.02)
170:     angle   ( -3.238,   3.945,  -9.218)  ( -3.236,   3.946,  -9.216)  ( 0.06,  0.04,  0.02)
170:     torsion (-16.522,  17.754, -43.899)  (-16.523,  17.754, -43.899)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.395,  -8.898,   1.288)  (  0.396,  -8.898,   1.288)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 49       ( 32.071, -33.304,  25.059)  ( 32.075, -33.300,  25.072)  ( 0.01,  0.01,  0.05)
170:     bond    (  1.999,  -6.832,  29.850)  (  1.998,  -6.831,  29.863)  ( 0.00,  0.01,  0.04)
170:     angle   ( -7.301,  -5.703,  -0.816)  ( -7.298,  -5.700,  -0.815)  ( 0.04,  0.05,  0.01)
170:     torsion ( 29.488, -23.263,  -7.295)  ( 29.488, -23.262,  -7.295)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  7.885,   2.492,   3.320)  (  7.886,   2.493,   3.320)  ( 0.00,  0.02,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 50       (-42.456,  36.563,   2.121)  (-42.451,  36.570,   2.129)  ( 0.01,  0.02,  0.40)
170:     bond    (-12.892,  19.154,  24.179)  (-12.890,  19.158,  24.186)  ( 0.01,  0.02,  0.03)
170:     angle   (  2.102,  -1.369,   2.203)  (  2.104,  -1.367,   2.204)  ( 0.12,  0.14,  0.05)
170:     torsion (-23.627,  17.730, -26.636)  (-23.626,  17.730, -26.636)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.039,   1.048,   2.375)  ( -8.039,   1.049,   2.375)  ( 0.00,  0.04,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 51       ( 52.952,  -9.860, -46.709)  ( 52.958,  -9.855, -46.698)  ( 0.01,  0.05,  0.02)
170:     bond    (-15.220,  19.983, -45.230)  (-15.219,  19.985, -45.219)  ( 0.01,  0.01,  0.02)
170:     angle   (-20.705, -20.061,  -1.898)  (-20.702, -20.058,  -1.898)  ( 0.01,  0.01,  0.03)
170:     torsion ( 29.317, -32.429, -24.199)  ( 29.317, -32.428, -24.198)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 59.560,  22.646,  24.617)  ( 59.562,  22.646,  24.618)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 52       (-30.119,   0.338,  61.014)  (-30.115,   0.342,  61.026)  ( 0.01,  0.13,  0.02)
170:     bond    ( 12.586,  -9.382,  34.918)  ( 12.587,  -9.382,  34.929)  ( 0.01,  0.01,  0.03)
170:     angle   ( -6.602,  16.545,   6.822)  ( -6.600,  16.547,   6.823)  ( 0.04,  0.01,  0.01)
170:     torsion (-29.059,   7.019,  12.357)  (-29.059,   7.019,  12.357)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -7.043, -13.843,   6.917)  ( -7.043, -13.842,   6.917)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 53       ( 33.764, -28.975,  -6.678)  ( 33.769, -28.966,  -6.671)  ( 0.02,  0.03,  0.11)
170:     bond    ( 10.870, -19.294, -17.724)  ( 10.872, -19.288, -17.719)  ( 0.02,  0.03,  0.03)
170:     angle   (-11.286,  -8.512,   2.339)  (-11.283,  -8.510,   2.340)  ( 0.02,  0.02,  0.06)
170:     torsion ( 26.667,   8.579,   7.023)  ( 26.667,   8.580,   7.023)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  7.513,  -9.748,   1.685)  (  7.513,  -9.748,   1.685)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 54       (-47.852,  -9.022, -44.500)  (-47.849,  -9.018, -44.486)  ( 0.01,  0.05,  0.03)
170:     bond    (  2.526,  -0.643, -28.750)  (  2.526,  -0.643, -28.736)  ( 0.00,  0.01,  0.05)
170:     angle   ( -0.268,  -2.711,   0.037)  ( -0.265,  -2.707,   0.037)  ( 0.08,  0.13,  0.00)
170:     torsion (-50.211,  -9.373,  -4.203)  (-50.210,  -9.372,  -4.203)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.100,   3.705, -11.584)  (  0.101,   3.705, -11.584)  ( 0.00,  0.02,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 55       (-38.239,  -5.705, -32.015)  (-38.226,  -5.702, -32.012)  ( 0.03,  0.06,  0.01)
170:     bond    (-46.113,  -4.032, -13.586)  (-46.100,  -4.032, -13.585)  ( 0.03,  0.00,  0.01)
170:     angle   (  3.509, -32.715,  -2.200)  (  3.509, -32.712,  -2.198)  ( 0.00,  0.01,  0.09)
170:     torsion (  3.705,   6.365, -14.463)  (  3.705,   6.365, -14.463)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.660,  24.677,  -1.765)  (  0.660,  24.678,  -1.765)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 56       (-20.074, -19.534,  52.018)  (-20.072, -19.531,  52.032)  ( 0.01,  0.02,  0.03)
170:     bond    (  1.302,   8.678,  40.215)  (  1.302,   8.678,  40.229)  ( 0.01,  0.01,  0.03)
170:     angle   (  9.027, -24.582,   5.010)  (  9.029, -24.580,   5.010)  ( 0.02,  0.01,  0.00)
170:     torsion (-17.002, -12.013,   3.142)  (-17.002, -12.013,   3.142)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-13.401,   8.383,   3.651)  (-13.401,   8.383,   3.651)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 57       ( 26.460,  29.842,  -4.295)  ( 26.464,  29.852,  -4.290)  ( 0.02,  0.03,  0.12)
170:     bond    ( 11.126,  23.554, -14.467)  ( 11.128,  23.563, -14.464)  ( 0.02,  0.04,  0.02)
170:     angle   ( 12.472,  -8.642,  -4.482)  ( 12.474,  -8.641,  -4.480)  ( 0.02,  0.01,  0.04)
170:     torsion ( 11.289,   3.498,  14.382)  ( 11.289,   3.498,  14.382)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.427,  11.433,   0.272)  ( -8.427,  11.433,   0.272)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 58       ( 17.909, -40.158, -26.723)  ( 17.915, -40.148, -26.721)  ( 0.04,  0.02,  0.01)
170:     bond    ( 25.086, -34.130,  -7.983)  ( 25.091, -34.121,  -7.983)  ( 0.02,  0.03,  0.00)
170:     angle   (-20.491, -12.612, -10.496)  (-20.489, -12.611, -10.494)  ( 0.01,  0.01,  0.02)
170:     torsion (  3.136,   4.478,  -9.283)  (  3.136,   4.478,  -9.283)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 10.178,   2.107,   1.039)  ( 10.178,   2.107,   1.039)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 59       (  7.352,  34.910, -17.396)  (  7.357,  34.920, -17.391)  ( 0.07,  0.03,  0.02)
170:     bond    ( 14.463,  26.266, -13.205)  ( 14.466,  26.275, -13.203)  ( 0.02,  0.03,  0.02)
170:     angle   (-16.868,   2.403, -13.698)  (-16.866,   2.403, -13.696)  ( 0.01,  0.03,  0.01)
170:     torsion ( -3.902,   6.026,   7.716)  ( -3.902,   6.026,   7.716)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 7819
179: ok 7820
179: ok 7821
179: ok 7822
179: ok 7823
179: ok 7824
179: ok 7825
179: ok 7826
179: ok 7827
179: ok 7828
179: ok 7829
179: ok 7830
179: ok 7831
179: ok 7832
179: ok 7833
179: ok 7834
179: ok 7835
179: ok 7836
179: ok 7837
179: ok 7838
179: ok 7839
179: ok 7840
179: ok 7841
179: ok 7842
179: ok 7843
179: ok 7844
179: ok 7845
179: ok 7846
179: ok 7847
179: ok 7848
179: ok 7849
179: ok 7850
179: ok 7851
179: ok 7852
179: ok 7853
179: ok 7854
179: ok 7855
179: ok 7856
179: ok 7857
179: ok 7858
179: ok 7859
179: ok 7860
179: ok 7861
179: ok 7862
179: ok 7863
179: ok 7864
179: ok 7865
179: ok 7866
179: ok 7867
179: ok 7868
179: ok 7869
179: ok 7870
179: ok 7871
179: ok 7872
179: ok 7873
179: ok 7874
179: ok 7875
179: ok 7876
179: ok 7877
179: ok 7878
179: ok 7879
179: ok 7880
179: ok 7881
179: ok 7882
179: ok 7883
179: ok 7884
179: ok 7885
179: ok 7886
179: ok 7887
179: ok 7888
179: ok 7889
179: ok 7890
179: ok 7891
179: ok 7892
179: ok 7893
179: ok 7894
179: ok 7895
179: ok 7896
179: ok 7897
179: ok 7898
179: ok 7899
179: ok 7900
179: ok 7901
179: ok 7902
179: ok 7903
179: ok 7904
179: ok 7905
179: ok 7906
179: ok 7907
179: ok 7908
179: ok 7909
179: ok 7910
179: ok 7911
179: ok 7912
179: ok 7913
179: ok 7914
179: ok 7915
179: ok 7916
179: ok 7917
179: ok 7918
179: ok 7919
179: ok 7920
179: ok 7921
179: ok 7922
179: ok 7923
179: ok 7924
179: ok 7925
179: ok 7926
179: ok 7927
179: ok 7928
179: ok 7929
179: ok 7930
179: ok 7931
179: ok 7932
179: ok 7933
179: ok 7934
179: ok 7935
179: ok 7936
179: ok 7937
179: ok 7938
179: ok 7939
179: ok 7940
179: ok 7941
179: ok 7942
179: ok 7943
179: ok 7944
179: ok 7945
179: ok 7946
179: ok 7947
179: ok 7948
179: ok 7949
179: ok 7950
179: ok 7951
179: ok 7952
179: ok 7953
179: ok 7954
179: ok 7955
179: ok 7956
179: ok 7957
179: ok 7958
179: ok 7959
179: ok 7960
179: ok 7961
179: ok 7962
179: ok 7963
179: ok 7964
179: ok 7965
179: ok 7966
179: ok 7967
179: ok 7968
179: ok 7969
179: ok 7970
179: ok 7971
179: ok 7972
179: ok 7973
179: ok 7974
179: ok 7975
179: ok 7976
179: ok 7977
179: ok 7978
179: ok 7979
179: ok 7980
179: ok 7981
179: ok 7982
179: ok 7983
179: ok 7984
179: ok 7985
179: ok 7986
179: ok 7987
179: ok 7988
179: ok 7989
179: ok 7990
179: ok 7991
179: ok 7992
179: ok 7993
179: ok 7994
179: ok 7995
179: ok 7996
179: ok 7997
179: ok 7998
179: ok 7999
179: ok 8000
179: ok 8001
179: ok 8002
179: ok 8003
179: ok 8004
179: ok 8005
179: ok 8006
179: ok 8007
179: ok 8008
179: ok 8009
179: ok 8010
179: ok 8011
179: ok 8012
179: ok 8013
179: ok 8014
179: ok 8015
179: ok 8016
179: ok 8017
179: ok 8018
179: ok 8019
179: ok 8020
179: ok 8021
179: ok 8022
179: ok 8023
179: ok 8024
179: ok 8025
179: ok 8026
179: ok 8027
179: ok 8028
179: ok 8029
179: ok 8030
179: ok 8031
179: ok 8032
179: ok 8033
179: ok 8034
179: ok 8035
179: ok 8036
179: ok 8037
179: ok 8038
179: ok 8039
179: ok 8040
179: ok 8041
179: ok 8042
179: ok 8043
179: ok 8044
179: ok 8045
179: ok 8046
179: ok 8047
179: ok 8048
179: ok 8049
179: ok 8050
179: ok 8051
179: ok 8052
179: ok 8053
179: ok 8054
179: ok 8055
179: ok 8056
179: ok 8057
179: ok 8058
179: ok 8059
179: ok 8060
179: ok 8061
179: ok 8062
179: ok 8063
179: ok 8064
179: ok 8065
179: ok 8066
179: ok 8067
179: ok 8068
179: ok 8069
179: ok 8070
179: ok 8071
179: ok 8072
179: ok 8073
179: ok 8074
179: ok 8075
179: ok 8076
179: ok 8077
179: ok 8078
179: ok 8079
179: ok 8080
179: ok 8081
179: ok 8082
179: ok 8083
179: ok 8084
179: ok 8085
179: ok 8086
179: ok 8087
179: ok 8088
179: ok 8089
179: ok 8090
179: ok 8091
179: ok 8092
179: ok 8093
179: ok 8094
179: ok 8095
179: ok 8096
179: ok 8097
179: ok 8098
179: ok 8099
179: ok 8100
179: ok 8101
179: ok 8102
179: ok 8103
179: ok 8104
179: ok 8105
179: ok 8106
179: ok 8107
179: ok 8108
179: ok 8109
179: ok 8110
179: ok 8111
179: ok 8112
179: ok 8113
179: ok 8114
179: ok 8115
179: ok 8116
179: ok 8117
179: ok 8118
179: ok 8119
179: ok 8120
179: ok 8121
179: ok 8122
179: ok 8123
179: ok 8124
179: ok 8125
179: ok 8126
179: ok 8127
179: ok 8128
179: ok 8129
179: ok 8130
179: ok 8131
179: ok 8132
179: ok 8133
179: ok 8134
179: ok 8135
179: ok 8136
179: ok 8137
179: ok 8138
179: ok 8139
179: ok 8140
179: ok 8141
179: ok 8142
179: ok 8143
179: ok 8144
179: ok 8145
179: ok 8146
179: ok 8147
179: ok 8148
179: ok 8149
179: ok 8150
179: ok 8151
179: ok 8152
179: ok 8153
179: ok 8154
179: ok 8155
179: ok 8156
179: ok 8157
179: ok 8158
179: ok 8159
179: ok 8160
179: ok 8161
179: ok 8162
179: ok 8163
179: ok 8164
179: ok 8165
179: ok 8166
179: ok 8167
179: ok 8168
179: ok 8169
179: ok 8170
179: ok 8171
179: ok 8172
179: ok 8173
179: ok 8174
179: ok 8175
179: ok 8176
179: ok 8177
179: ok 8178
179: ok 8179
179: ok 8180
179: ok 8181
179: ok 8182
179: ok 8183
179: ok 8184
179: ok 8185
179: ok 8186
179: ok 8187
179: ok 8188
179: ok 8189
179: ok 8190
179: ok 8191
179: ok 8192
179: ok 8193
179: ok 8194
179: ok 8195
179: ok 8196
179: ok 8197
179: ok 8198
179: ok 8199
179: ok 8200
179: ok 8201
179: ok 8202
179: ok 8203
179: ok 8204
179: ok 8205
179: ok 8206
179: ok 8207
179: ok 8208
179: ok 8209
179: ok 8210
179: ok 8211
179: ok 8212
179: ok 8213
179: ok 8214
179: ok 8215
179: ok 8216
179: ok 8217
179: ok 8218
179: ok 8219
179: ok 8220
179: ok 8221
179: ok 8222
179: ok 8223
179: ok 8224
179: ok 8225
179: ok 8226
179: ok 8227
179: ok 8228
179: ok 8229
179: ok 8230
179: ok 8231
179: ok 8232
179: ok 8233
179: ok 8234
179: ok 8235
179: ok 8236
179: ok 8237
179: ok 8238
179: ok 8239
179: ok 8240
179: ok 8241
179: ok 8242
179: ok 8243
179: ok 8244
179: ok 8245
179: ok 8246
179: ok 8247
179: ok 8248
179: ok 8249
179: ok 8250
179: ok 8251
179: ok 8252
179: ok 8253
179: ok 8254
179: ok 8255
179: ok 8256
179: ok 8257
179: ok 8258
179: ok 8259
179: ok 8260
179: ok 8261
179: ok 8262
179: ok 8263
179: ok 8264
179: ok 8265
179: ok 8266
179: ok 8267
179: ok 8268
179: ok 8269
179: ok 8270
179: ok 8271
179: ok 8272
179: ok 8273
179: ok 8274
179: ok 8275
179: ok 8276
179: ok 8277
179: ok 8278
179: ok 8279
179: ok 8280
179: ok 8281
179: ok 8282
179: ok 8283
179: ok 8284
179: ok 8285
179: ok 8286
179: ok 8287
179: ok 8288
179: ok 8289
179: ok 8290
179: ok 8291
179: ok 8292
179: ok 8293
179: ok 8294
179: ok 8295
179: ok 8296
179: ok 8297
179: ok 8298
179: ok 8299
179: ok 8300
179: ok 8301
179: ok 8302
179: ok 8303
179: ok 8304
179: ok 8305
179: ok 8306
179: ok 8307
179: ok 8308
179: ok 8309
179: ok 8310
179: ok 8311
179: ok 8312
179: ok 8313
179: ok 8314
179: ok 8315
179: ok 8316
179: ok 8317
179: ok 8318
179: ok 8319
179: ok 8320
179: ok 8321
179: ok 8322
179: ok 8323
179: ok 8324
179: ok 8325
179: ok 8326
179: ok 8327
179: ok 8328
179: ok 8329
179: ok 8330
179: ok 8331
179: ok 8332
179: ok 8333
179: ok 8334
179: ok 8335
179: ok 8336
179: ok 8337
179: ok 8338
179: ok 8339
179: ok 8340
179: ok 8341
179: ok 8342
179: ok 8343
179: ok 8344
179: ok 8345
179: ok 8346
179: ok 8347
179: ok 8348
179: ok 8349
179: ok 8350
179: ok 8351
179: ok 8352
179: ok 8353
179: ok 8354
179: ok 8355
179: ok 8356
179: ok 8357
179: ok 8358
179: ok 8359
179: ok 8360
179: ok 8361
179: ok 8362
179: ok 8363
179: ok 8364
179: ok 8365
179: ok 8366
179: ok 8367
179: ok 8368
179: ok 8369
179: ok 8370
179: ok 8371
179: ok 8372
179: ok 8373
179: ok 8374
179: ok 8375
179: ok 8376
179: ok 8377
179: ok 8378
179: ok 8379
179: ok 8380
179: ok 8381
179: ok 8382
179: ok 8383
179: ok 8384
179: ok 8385
179: ok 8386
179: ok 8387
179: ok 8388
179: ok 8389
179: ok 8390
179: ok 8391
179: ok 8392
179: ok 8393
179: ok 8394
179: ok 8395
179: ok 8396
179: ok 8397
179: ok 8398
179: ok 8399
179: ok 8400
179: ok 8401
179: ok 8402
179: ok 8403
179: ok 8404
179: ok 8405
179: ok 8406
179: ok 8407
179: ok 8408
179: ok 8409
179: ok 8410
179: ok 8411
179: ok 8412
179: ok 8413
179: ok 8414
179: ok 8415
179: ok 8416
179: ok 8417
179: ok 8418
179: ok 8419
179: ok 8420
179: ok 8421
179: ok 8422
179: ok 8423
179: ok 8424
179: ok 8425
179: ok 8426
179: ok 8427
179: ok 8428
179: ok 8429
179: ok 8430
179: ok 8431
179: ok 8432
179: ok 8433
179: ok 8434
179: ok 8435
179: ok 8436
179: ok 8437
179: ok 8438
179: ok 8439
179: ok 8440
179: ok 8441
179: ok 8442
179: ok 8443
179: ok 8444
179: ok 8445
179: ok 8446
179: ok 8447
179: ok 8448
179: ok 8449
179: ok 8450
179: ok 8451
179: ok 8452
179: ok 8453
179: ok 8454
179: ok 8455
179: ok 8456
179: ok 8457
179: ok 8458
179: ok 8459
179: ok 8460
179: ok 8461
179: ok 8462
179: ok 8463
179: ok 8464
179: ok 8465
179: ok 8466
179: ok 8467
179: ok 8468
179: ok 8469
179: ok 8470
179: ok 8471
179: ok 8472
179: ok 8473
179: ok 8474
179: ok 8475
179: ok 8476
179: ok 8477
179: ok 8478
179: ok 8479
179: ok 8480
179: ok 8481
179: ok 8482
179: ok 8483
179: ok 8484
179: ok 8485
179: ok 8486
179: ok 8487
179: ok 8488
179: ok 8489
179: ok 8490
179: ok 8491
179: ok 8492
179: ok 8493
179: ok 8494
179: ok 8495
179: ok 8496
179: ok 8497
179: ok 8498
179: ok 8499
179: ok 8500
179: ok 8501
179: ok 8502
179: ok 8503
179: ok 8504
179: ok 8505
179: ok 8506
179: ok 8507
179: ok 8508
179: ok 8509
179: ok 8510
179: ok 8511
179: ok 8512
179: ok 8513
179: ok 8514
179: ok 8515
179: ok 8516
179: ok 8517
179: ok 8518
179: ok 8519
179: ok 8520
179: ok 8521
179: ok 8522
179: ok 8523
179: ok 8524
179: ok 8525
179: ok 8526
179: ok 8527
179: ok 8528
179: ok 8529
179: ok 8530
179: ok 8531
179: ok 8532
179: ok 8533
179: ok 8534
179: ok 8535
179: ok 8536
179: ok 8537
179: ok 8538
179: ok 8539
179: ok 8540
179: ok 8541
179: ok 8542
179: ok 8543
179: ok 8544
179: ok 8545
179: ok 8546
179: ok 8547
179: ok 8548
179: ok 8549
179: ok 8550
179: ok 8551
179: ok 8552
179: ok 8553
179: ok 8554
179: ok 8555
179: ok 8556
179: ok 8557
179: ok 8558
179: ok 8559
179: ok 8560
179: ok 8561
179: ok 8562
179: ok 8563
179: ok 8564
179: ok 8565
179: ok 8566
179: ok 8567
179: ok 8568
179: ok 8569
179: ok 8570
179: ok 8571
179: ok 8572
179: ok 8573
179: ok 8574
179: ok 8575
179: ok 8576
179: ok 8577
179: ok 8578
179: ok 8579
179: ok 8580
179: ok 8581
179: ok 8582
179: ok 8583
179: ok 8584
179: ok 8585
179: ok 8586
179: ok 8587
179: ok 8588
179: ok 8589
179: ok 8590
179: ok 8591
179: ok 8592
179: ok 8593
179: ok 8594
179: ok 8595
179: ok 8596
179: ok 8597
179: ok 8598
179: ok 8599
179: ok 8600
179: ok 8601
179: ok 8602
179: ok 8603
179: ok 8604
179: ok 8605
179: ok 8606
179: ok 8607
179: ok 8608
179: ok 8609
179: ok 8610
179: ok 8611
179: ok 8612
179: ok 8613
179: ok 8614
179: ok 8615
179: ok 8616
179: ok 8617
179: ok 8618
179: ok 8619
179: ok 8620
179: ok 8621
179: ok 8622
179: ok 8623
179: ok 8624
179: ok 8625
179: ok 8626
179: ok 8627
179: ok 8628
179: ok 8629
179: ok 8630
179: ok 8631
179: ok 8632
179: ok 8633
179: ok 8634
179: ok 8635
179: ok 8636
179: ok 8637
179: ok 8638
179: ok 8639
179: ok 8640
179: ok 8641
179: ok 8642
179: ok 8643
179: ok 8644
179: ok 8645
179: ok 8646
179: ok 8647
179: ok 8648
179: ok 8649
179: ok 8650
179: ok 8651
179: ok 8652
179: ok 8653
179: ok 8654
179: ok 8655
179: ok 8656
179: ok 8657
179: ok 8658
179: ok 8659
179: ok 8660
179: ok 8661
179: ok 8662
179: ok 8663
179: ok 8664
179: ok 8665
179: ok 8666
179: ok 8667
179: ok 8668
179: ok 8669
179: ok 8670
179: ok 8671
179: ok 8672
179: ok 8673
179: ok 8674
179: ok 8675
179: ok 8676
179: ok 8677
179: ok 8678
179: ok 8679
179: ok 8680
179: ok 8681
179: ok 8682
179: ok 8683
179: ok 8684
179: ok 8685
179: ok 8686
179: ok 8687
179: ok 8688
179: ok 8689
179: ok 8690
179: ok 8691
179: ok 8692
179: ok 8693
179: ok 8694
179: ok 8695
179: ok 8696
179: ok 8697
179: ok 8698
179: ok 8699
179: ok 8700
179: ok 8701
179: ok 8702
179: ok 8703
179: ok 8704
179: ok 8705
179: ok 8706
179: ok 8707
179: ok 8708
179: ok 8709
179: ok 8710
179: ok 8711
179: ok 8712
179: ok 8713
179: ok 8714
179: ok 8715
179: ok 8716
179: ok 8717
179: ok 8718
179: ok 8719
179: ok 8720
179: ok 8721
179: ok 8722
179: ok 8723
179: ok 8724
179: ok 8725
179: ok 8726
179: ok 8727
179: ok 8728
179: ok 8729
179: ok 8730
179: ok 8731
179: ok 8732
179: ok 8733
179: ok 8734
179: ok 8735
179: ok 8736
179: ok 8737
179: ok 8738
179: ok 8739
179: ok 8740
179: ok 8741
179: ok 8742
179: ok 8743
179: ok 8744
179: ok 8745
179: ok 8746
179: ok 8747
179: ok 8748
179: ok 8749
179: ok 8750
179: ok 8751
179: ok 8752
179: ok 8753
179: ok 8754
179: ok 8755
179: ok 8756
179: ok 8757
179: ok 8758
179: ok 8759
179: ok 8760
179: ok 8761
179: ok 8762
179: ok 8763
179: ok 8764
179: ok 8765
179: ok 8766
179: ok 8767
179: ok 8768
179: ok 8769
179: ok 8770
179: ok 8771
179: ok 8772
179: ok 8773
179: ok 8774
179: ok 8775
179: ok 8776
179: ok 8777
179: ok 8778
179: ok 8779
179: ok 8780
179: ok 8781
179: ok 8782
179: ok 8783
179: ok 8784
179: ok 8785
179: ok 8786
179: ok 8787
179: ok 8788
179: ok 8789
179: ok 8790
179: ok 8791
179: ok 8792
179: ok 8793
179: ok 8794
179: ok 8795
179: ok 8796
179: ok 8797
179: ok 8798
179: ok 8799
179: ok 8800
179: ok 8801
179: ok 8802
179: ok 8803
179: ok 8804
179: ok 8805
179: ok 8806
179: ok 8807
179: ok 8808
179: ok 8809
179: ok 8810
179: ok 8811
179: ok 8812
179: ok 8813
179: ok 8814
179: ok 8815
179: ok 8816
179: ok 8817
179: ok 8818
179: ok 8819
179: ok 8820
179: ok 8821
179: ok 8822
179: ok 8823
179: ok 8824
179: ok 8825
179: ok 8826
179: ok 8827
179: ok 8828
179: ok 8829
179: ok 8830
179: ok 8831
179: ok 8832
179: ok 8833
179: ok 8834
179: ok 8835
179: ok 8836
179: ok 8837
179: ok 8838
179: ok 8839
179: ok 8840
179: ok 8841
179: ok 8842
179: ok 8843
179: ok 8844
179: ok 8845
179: ok 8846
179: ok 8847
179: ok 8848
179: ok 8849
179: ok 8850
179: ok 8851
179: ok 8852
179: ok 8853
179: ok 8854
179: ok 8855
179: ok 8856
179: ok 8857
179: ok 8858
179: ok 8859
179: ok 8860
179: ok 8861
179: ok 8862
179: ok 8863
179: ok 8864
179: ok 8865
179: ok 8866
179: ok 8867
179: ok 8868
179: ok 8869
179: ok 8870
179: ok 8871
179: ok 8872
179: ok 8873
179: ok 8874
179: ok 8875
179: ok 8876
179: ok 8877
179: ok 8878
179: ok 8879
179: ok 8880
179: ok 8881
179: ok 8882
179: ok 8883
179: ok 8884
179: ok 8885
179: ok 8886
179: ok 8887
179: ok 8888
179: ok 8889
179: ok 8890
179: ok 8891
179: ok 8892
179: ok 8893
179: ok 8894
179: ok 8895
179: ok 8896
179: ok 8897
179: ok 8898
179: ok 8899
179: ok 8900
179: ok 8901
179: ok 8902
179: ok 8903
179: ok 8904
179: ok 8905
179: ok 8906
179: ok 8907
179: ok 8908
179: ok 8909
179: ok 8910
179: ok 8911
179: ok 8912
179: ok 8913
179: ok 8914
179: ok 8915
179: ok 8916
179: ok 8917
179: ok 8918
179: ok 8919
179: ok 8920
179: ok 8921
179: ok 8922
179: ok 8923
179: ok 8924
179: ok 8925
179: ok 8926
179: ok 8927
179: ok 8928
179: ok 8929
179: ok 8930
179: ok 8931
179: ok 8932
179: ok 8933
179: ok 8934
179: ok 8935
179: ok 8936
179: ok 8937
179: ok 8938
179: ok 8939
179: ok 8940
179: ok 8941
179: ok 8942
179: ok 8943
179: ok 8944
179: ok 8945
179: ok 8946
179: ok 8947
179: ok 8948
179: ok 8949
179: ok 8950
179: ok 8951
179: ok 8952
179: ok 8953
179: ok 8954
179: ok 8955
179: ok 8956
179: ok 8957
179: ok 8958
179: ok 8959
179: ok 8960
179: ok 8961
179: ok 8962
179: ok 8963
179: ok 8964
179: ok 8965
179: ok 8966
179: ok 8967
179: ok 8968
179: ok 8969
179: ok 8970
179: ok 8971
179: ok 8972
179: ok 8973
179: ok 8974
179: ok 8975
179: ok 8976
179: ok 8977
179: ok 8978
179: ok 8979
179: ok 8980
179: ok 8981
179: ok 8982
179: ok 8983
179: ok 8984
179: ok 8985
179: ok 8986
179: ok 8987
179: ok 8988
179: ok 8989
179: ok 8990
179: ok 8991
179: ok 8992
179: ok 8993
179: ok 8994
179: ok 8995
179: ok 8996
179: ok 8997
179: ok 8998
179: ok 8999
179: ok 9000
179: ok 9001
179: ok 9002
179: ok 9003
179: ok 9004
179: ok 9005
179: ok 9006
179: ok 9007
179: ok 9008
179: ok 9009
179: ok 9010
179: ok 9011
179: ok 9012
179: ok 9013
179: ok 9014
179: ok 9015
179: ok 9016
179: ok 9017
179: ok 9018
179: ok 9019
179: ok 9020
179: ok 9021
179: ok 9022
179: ok 9023
179: ok 9024
179: ok 9025
179: ok 9026
179: ok 9027
179: ok 9028
179: ok 9029
179: ok 9030
179: ok 9031
179: ok 9032
179: ok 9033
179: ok 9034
179: ok 9035
179: ok 9036
179: ok 9037
179: ok 9038
179: ok 9039
179: ok 9040
179: ok 9041
179: ok 9042
179: ok 9043
179: ok 9044
179: ok 9045
179: ok 9046
179: ok 9047
179: ok 9048
179: ok 9049
179: ok 9050
179: ok 9051
179: ok 9052
179: ok 9053
179: ok 9054
179: ok 9055
179: ok 9056
179: ok 9057
179: ok 9058
179: ok 9059
179: ok 9060
179: ok 9061
179: ok 9062
179: ok 9063
179: ok 9064
179: ok 9065
179: ok 9066
179: ok 9067
179: ok 9068
179: ok 9069
179: ok 9070
179: ok 9071
179: ok 9072
179: ok 9073
179: ok 9074
179: ok 9075
179: ok 9076
179: ok 9077
179: ok 9078
179: ok 9079
179: ok 9080
179: ok 9081
179: ok 9082
179: ok 9083
179: ok 9084
179: ok 9085
179: ok 9086
179: ok 9087
179: ok 9088
179: ok 9089
179: ok 9090
179: ok 9091
179: ok 9092
179: ok 9093
179: ok 9094
179: ok 9095
179: ok 9096
179: ok 9097
179: ok 9098
179: ok 9099
179: ok 9100
179: ok 9101
179: ok 9102
179: ok 9103
179: ok 9104
179: ok 9105
179: ok 9106
179: ok 9107
179: ok 9108
179: ok 9109
179: ok 9110
179: ok 9111
179: ok 9112
179: ok 9113
179: ok 9114
179: ok 9115
179: ok 9116
179: ok 9117
179: ok 9118
179: ok 9119
179: ok 9120
179: ok 9121
179: ok 9122
179: ok 9123
179: ok 9124
179: ok 9125
179: ok 9126
179: ok 9127
179: ok 9128
179: ok 9129
179: ok 9130
179: ok 9131
179: ok 9132
179: ok 9133
179: ok 9134
179: ok 9135
179: ok 9136
179: ok 9137
179: ok 9138
179: ok 9139
179: ok 9140
179: ok 9141
179: ok 9142
179: ok 9143
179: ok 9144
179: ok 9145
179: ok 9146
179: ok 9147
179: ok 9148
179: ok 9149
179: ok 9150
179: ok 9151
179: ok 9152
179: ok 9153
179: ok 9154
179: ok 9155
179: ok 9156
179: ok 9157
179: ok 9158
179: ok 9159
179: ok 9160
179: ok 9161
179: ok 9162
179: ok 9163
179: ok 9164
179: ok 9165
179: ok 9166
179: ok 9167
179: ok 9168
179: ok 9169
179: ok 9170
179: ok 9171
179: ok 9172
179: ok 9173
179: ok 9174
179: ok 9175
179: ok 9176
179: ok 9177
179: ok 9178
179: ok 9179
179: ok 9180
179: ok 9181
179: ok 9182
179: ok 9183
179: ok 9184
179: ok 9185
179: ok 9186
179: ok 9187
179: ok 9188
179: ok 9189
179: ok 9190
179: ok 9191
179: ok 9192
179: ok 9193
179: ok 9194
179: ok 9195
179: ok 9196
179: ok 9197
179: ok 9198
179: ok 9199
179: ok 9200
179: ok 9201
179: ok 9202
179: ok 9203
179: ok 9204
179: ok 9205
179: ok 9206
179: ok 9207
179: ok 9208
179: ok 9209
179: ok 9210
179: ok 9211
179: ok 9212
179: ok 9213
179: ok 9214
179: ok 9215
179: ok 9216
179: ok 9217
179: ok 9218
179: ok 9219
179: ok 9220
179: ok 9221
179: ok 9222
179: ok 9223
179: ok 9224
179: ok 9225
179: ok 9226
179: ok 9227
179: ok 9228
179: ok 9229
179: ok 9230
179: ok 9231
179: ok 9232
179: ok 9233
179: ok 9234
179: ok 9235
179: ok 9236
179: ok 9237
179: ok 9238
179: ok 9239
179: ok 9240
179: ok 9241
179: ok 9242
179: ok 9243
179: ok 9244
179: ok 9245
179: ok 9246
179: ok 9247
179: ok 9248
179: ok 9249
179: ok 9250
179: ok 9251
179: ok 9252
179: ok 9253
179: ok 9254
179: ok 9255
179: ok 9256
179: ok 9257
179: ok 9258
179: ok 9259
179: ok 9260
179: ok 9261
179: ok 9262
179: ok 9263
179: ok 9264
179: ok 9265
179: ok 9266
179: ok 9267
179: ok 9268
179: ok 9269
179: ok 9270
179: ok 9271
179: ok 9272
179: ok 9273
179: ok 9274
179: ok 9275
179: ok 9276
179: ok 9277
179: ok 9278
179: ok 9279
179: ok 9280
179: ok 9281
179: ok 9282
179: ok 9283
179: ok 9284
179: ok 9285
179: ok 9286
179: ok 9287
179: ok 9288
179: ok 9289
179: ok 9290
179: ok 9291
179: ok 9292
179: ok 9293
179: ok 9294
179: ok 9295
179: ok 9296
179: ok 9297
179: ok 9298
179: ok 9299
179: ok 9300
179: ok 9301
179: ok 9302
179: ok 9303
179: ok 9304
179: ok 9305
179: ok 9306
179: ok 9307
179: ok 9308
179: ok 9309
179: ok 9310
179: ok 9311
179: ok 9312
179: ok 9313
179: ok 9314
179: ok 9315
179: ok 9316
179: ok 9317
179: ok 9318
179: ok 9319
179: ok 9320
179: ok 9321
179: ok 9322
179: ok 9323
179: ok 9324
179: ok 9325
179: ok 9326
179: ok 9327
179: ok 9328
179: ok 9329
179: ok 9330
179: ok 9331
179: ok 9332
179: ok 9333
179: ok 9334
179: ok 9335
179: ok 9336
179: ok 9337
179: ok 9338
179: ok 9339
179: ok 9340
179: ok 9341
179: ok 9342
179: ok 9343
179: ok 9344
179: ok 9345
179: ok 9346
179: ok 9347
179: ok 9348
179: ok 9349
179: ok 9350
179: ok 9351
179: ok 9352
179: ok 9353
179: ok 9354
179: ok 9355
179: ok 9356
179: ok 9357
179: ok 9358
179: ok 9359
179: ok 9360
179: ok 9361
179: ok 9362
179: ok 9363
179: ok 9364
179: ok 9365
179: ok 9366
179: ok 9367
179: ok 9368
179: ok 9369
179: ok 9370
179: ok 9371
179: ok 9372
179: ok 9373
179: ok 9374
179: ok 9375
179: ok 9376
179: ok 9377
179: ok 9378
179: ok 9379
179: ok 9380
179: ok 9381
179: ok 9382
179: ok 9383
179: ok 9384
179: ok 9385
179: ok 9386
179: ok 9387
179: ok 9388
179: ok 9389
179: ok 9390
179: ok 9391
179: ok 9392
179: ok 9393
179: ok 9394
179: ok 9395
179: ok 9396
179: ok 9397
179: ok 9398
179: ok 9399
179: ok 9400
179: ok 9401
179: ok 9402
179: ok 9403
179: ok 9404
179: ok 9405
179: ok 9406
179: ok 9407
179: ok 9408
179: ok 9409
179: ok 9410
179: ok 9411
179: ok 9412
179: ok 9413
179: ok 9414
179: ok 9415
179: ok 9416
179: ok 9417
179: ok 9418
179: ok 9419
179: ok 9420
179: ok 9421
179: ok 9422
179: ok 9423
179: ok 9424
179: ok 9425
179: ok 9426
179: ok 9427
179: ok 9428
179: ok 9429
179: ok 9430
179: ok 9431
179: ok 9432
179: ok 9433
179: ok 9434
179: ok 9435
179: ok 9436
179: ok 9437
179: ok 9438
179: ok 9439
179: ok 9440
179: ok 9441
179: ok 9442
179: ok 9443
179: ok 9444
179: ok 9445
179: ok 9446
179: ok 9447
179: ok 9448
179: ok 9449
179: ok 9450
179: ok 9451
179: ok 9452
179: ok 9453
179: ok 9454
179: ok 9455
179: ok 9456
179: ok 9457
179: ok 9458
179: ok 9459
179: ok 9460
179: ok 9461
179: ok 9462
179: ok 9463
179: ok 9464
179: ok 9465
179: ok 9466
179: ok 9467
179: ok 9468
179: ok 9469
179: ok 9470
179: ok 9471
179: ok 9472
179: ok 9473
179: ok 9474
179: ok 9475
179: ok 9476
179: ok 9477
179: ok 9478
179: ok 9479
179: ok 9480
179: ok 9481
179: ok 9482
179: ok 9483
179: ok 9484
179: ok 9485
179: ok 9486
179: ok 9487
179: ok 9488
179: ok 9489
179: ok 9490
179: ok 9491
179: ok 9492
179: ok 9493
179: ok 9494
179: ok 9495
179: ok 9496
179: ok 9497
179: ok 9498
179: ok 9499
179: ok 9500
179: ok 9501
179: ok 9502
179: ok 9503
179: ok 9504
179: ok 9505
179: ok 9506
179: ok 9507
179: ok 9508
179: ok 9509
179: ok 9510
179: ok 9511
179: ok 9512
179: ok 9513
179: ok 9514
179: ok 9515
179: ok 9516
179: ok 9517
179: ok 9518
179: ok 9519
179: ok 9520
179: ok 9521
179: ok 9522
179: ok 9523
179: ok 9524
179: ok 9525
179: ok 9526
179: ok 9527
179: ok 9528
179: ok 9529
179: ok 9530
179: ok 9531
179: ok 9532
179: ok 9533
179: ok 9534
179: ok 9535
179: ok 9536
179: ok 9537
179: ok 9538
179: ok 9539
179: ok 9540
179: ok 9541
179: ok 9542
179: ok 9543
179: ok 9544
179: ok 9545
179: ok 9546
179: ok 9547
179: ok 9548
179: ok 9549
179: ok 9550
179: ok 9551
179: ok 9552
179: ok 9553
179: ok 9554
179: ok 9555
179: ok 9556
179: ok 9557
179: ok 9558
179: ok 9559
179: ok 9560
179: ok 9561
179: ok 9562
179: ok 9563
179: ok 9564
179: ok 9565
179: ok 9566
179: ok 9567
179: ok 9568
179: ok 9569
179: ok 9570
179: ok 9571
179: ok 9572
179: ok 9573
179: ok 9574
179: ok 9575
179: ok 9576
179: ok 9577
179: ok 9578
179: ok 9579
179: ok 9580
179: ok 9581
179: ok 9582
179: ok 9583
179: ok 9584
179: ok 9585
179: ok 9586
179: ok 9587
179: ok 9588
179: ok 9589
179: ok 9590
179: ok 9591
179: ok 9592
179: ok 9593
179: ok 9594
179: ok 9595
179: ok 9596
179: ok 9597
179: ok 9598
179: ok 9599
179: ok 9600
179: ok 9601
179: ok 9602
179: ok 9603
179: ok 9604
179: ok 9605
179: ok 9606
179: ok 9607
179: ok 9608
179: ok 9609
179: ok 9610
179: ok 9611
179: ok 9612
179: ok 9613
179: ok 9614
179: ok 9615
179: ok 9616
179: ok 9617
179: ok 9618
179: ok 9619
179: ok 9620
179: ok 9621
179: ok 9622
179: ok 9623
179: ok 9624
179: ok 9625
179: ok 9626
179: ok 9627
179: ok 9628
179: ok 9629
179: ok 9630
179: ok 9631
179: ok 9632
179: ok 9633
179: ok 9634
179: ok 9635
179: ok 9636
179: ok 9637
179: ok 9638
179: ok 9639
179: ok 9640
179: ok 9641
179: ok 9642
179: ok 9643
179: ok 9644
179: ok 9645
179: ok 9646
179: ok 9647
179: ok 9648
179: ok 9649
179: ok 9650
179: ok 9651
179: ok 9652
179: ok 9653
179: ok 9654
179: ok 9655
179: ok 9656
179: ok 9657
179: ok 9658
179: ok 9659
179: ok 9660
179: ok 9661
179: ok 9662
179: ok 9663
179: ok 9664
179: ok 9665
179: ok 9666
179: ok 9667
179: ok 9668
179: ok 9669
179: ok 9670
179: ok 9671
179: ok 9672
179: ok 9673
179: ok 9674
179: ok 9675
179: ok 9676
179: ok 9677
179: ok 9678
179: ok 9679
179: ok 9680
179: ok 9681
179: ok 9682
179: ok 9683
179: ok 9684
179: ok 9685
179: ok 9686
179: ok 9687
179: ok 9688
179: ok 9689
179: ok 9690
179: ok 9691
179: ok 9692
179: ok 9693
179: ok 9694
179: ok 9695
179: ok 9696
179: ok 9697
179: ok 9698
179: ok 9699
179: ok 9700
179: ok 9701
179: ok 9702
179: ok 9703
179: ok 9704
179: ok 9705
179: ok 9706
179: ok 9707
179: ok 9708
179: ok 9709
179: ok 9710
179: ok 9711
179: ok 9712
179: ok 9713
179: ok 9714
179: ok 9715
179: ok 9716
179: ok 9717
179: ok 9718
179: ok 9719
179: ok 9720
179: ok 9721
179: ok 9722
179: ok 9723
179: ok 9724
179: ok 9725
179: ok 9726
179: ok 9727
179: ok 9728
179: ok 9729
179: ok 9730
179: ok 9731
179: ok 9732
179: ok 9733
179: ok 9734
179: ok 9735
179: ok 9736
179: ok 9737
179: ok 9738
179: ok 9739
179: ok 9740
179: ok 9741
179: ok 9742
179: ok 9743
179: ok 9744
179: ok 9745
179: ok 9746
179: ok 9747
179: ok 9748
179: ok 9749
179: ok 9750
179: ok 9751
179: ok 9752
179: ok 9753
179: ok 9754
179: ok 9755
179: ok 9756
179: ok 9757
179: ok 9758
179: ok 9759
179: ok 9760
179: ok 9761
179: ok 9762
179: ok 9763
179: ok 9764
179: ok 9765
179: ok 9766
179: ok 9767
179: ok 9768
179: ok 9769
179: ok 9770
179: ok 9771
179: ok 9772
179: ok 9773
179: ok 9774
179: ok 9775
179: ok 9776
179: ok 9777
179: ok 9778
179: ok 9779
179: ok 9780
179: ok 9781
179: ok 9782
179: ok 9783
179: ok 9784
179: ok 9785
179: ok 9786
179: ok 9787
179: ok 9788
179: ok 9789
179: ok 9790
179: ok 9791
179: ok 9792
179: ok 9793
179: ok 9794
179: ok 9795
179: ok 9796
179: ok 9797
179: ok 9798
179: ok 9799
179: ok 9800
179: ok 9801
179: ok 9802
179: ok 9803
179: ok 9804
179: ok 9805
179: ok 9806
179: ok 9807
179: ok 9808
179: ok 9809
179: ok 9810
179: ok 9811
179: ok 9812
179: ok 9813
179: ok 9814
179: ok 9815
179: ok 9816
179: ok 9817
179: ok 9818
179: ok 9819
179: ok 9820
179: ok 9821
179: ok 9822
179: ok 9823
179: ok 9824
179: ok 9825
179: ok 9826
179: ok 9827
179: ok 9828
179: ok 9829
179: ok 9830
179: ok 9831
179: ok 9832
179: ok 9833
179: ok 9834
179: ok 9835
179: ok 9836
179: ok 9837
179: ok 9838
179: ok 9839
179: ok 9840
179: ok 9841
179: ok 9842
179: ok 9843
179: ok 9844
179: ok 9845
179: ok 9846
179: ok 9847
179: ok 9848
179: ok 9849
179: ok 9850
179: ok 9851
179: ok 9852
179: ok 9853
179: ok 9854
179: ok 9855
179: ok 9856
179: ok 9857
179: ok 9858
179: ok 9859
179: ok 9860
179: ok 9861
179: ok 9862
179: ok 9863
179: ok 9864
179: ok 9865
179: ok 9866
179: ok 9867
179: ok 9868
179: ok 9869
179: ok 9870
179: ok 9871
179: ok 9872
179: ok 9873
179: ok 9874
179: ok 9875
179: ok 9876
179: ok 9877
179: ok 9878
179: ok 9879
179: ok 9880
179: ok 9881
179: ok 9882
179: ok 9883
179: ok 9884
179: ok 9885
179: ok 9886
179: ok 9887
179: ok 9888
179: ok 9889
179: ok 9890
179: ok 9891
179: ok 9892
179: ok 9893
179: ok 9894
179: ok 9895
179: ok 9896
179: ok 9897
179: ok 9898
179: ok 9899
179: ok 9900
179: ok 9901
179: ok 9902
179: ok 9903
179: ok 9904
179: ok 9905
179: ok 9906
179: ok 9907
179: ok 9908
179: ok 9909
179: ok 9910
179: ok 9911
179: ok 9912
179: ok 9913
179: ok 9914
179: ok 9915
179: ok 9916
179: ok 9917
179: ok 9918
179: ok 9919
179: ok 9920
179: ok 9921
179: ok 9922
179: ok 9923
179: ok 9924
179: ok 9925
179: ok 9926
179: ok 9927
179: ok 9928
179: ok 9929
179: ok 9930
179: ok 9931
179: ok 9932
179: ok 9933
179: ok 9934
179: ok 9935
179: ok 9936
179: ok 9937
179: ok 9938
179: ok 9939
179: ok 9940
179: ok 9941
179: ok 9942
179: ok 9943
179: ok 9944
179: ok 9945
179: ok 9946
179: ok 9947
179: ok 9948
179: ok 9949
179: ok 9950
179: ok 9951
179: ok 9952
179: ok 9953
179: ok 9954
179: ok 9955
179: ok 9956
179: ok 9957
179: ok 9958
179: ok 9959
179: ok 9960
179: ok 9961
179: ok 9962
179: ok 9963
179: ok 9964
179: ok 9965
179: ok 9966
179: ok 9967
179: ok 9968
179: ok 9969
179: ok 9970
179: ok 9971
179: ok 9972
179: ok 9973
179: ok 9974
179: ok 9975
179: ok 9976
179: ok 9977
179: ok 9978
179: ok 9979
179: ok 9980
179: ok 9981
179: ok 9982
179: ok 9983
179: ok 9984
179: ok 9985
179: ok 9986
179: ok 9987
179: ok 9988
179: ok 9989
179: ok 9990
179: ok 9991
179: ok 9992
179: ok 9993
179: ok 9994
179: ok 9995
179: ok 9996
179: ok 9997
179: ok 9998
179: ok 9999
179: ok 10000
179: ok 10001
179: ok 10002
179: ok 10003
179: ok 10004
179: ok 10005
179: ok 10006
179: ok 10007
179: ok 10008
179: ok 10009
179: ok 10010
179: ok 10011
179: ok 10012
179: ok 10013
179: ok 10014
179: ok 10015
179: ok 10016
179: ok 10017
179: ok 10018
179: ok 10019
179: ok 10020
179: ok 10021
179: ok 10022
179: ok 10023
179: ok 10024
179: ok 10025
179: ok 10026
179: ok 10027
179: ok 10028
179: ok 10029
179: ok 10030
179: ok 10031
179: ok 10032
179: ok 10033
179: ok 10034
179: ok 10035
179: ok 10036
179: ok 10037
179: ok 10038
179: ok 10039
179: ok 10040
179: ok 10041
179: ok 10042
179: ok 10043
179: ok 10044
179: ok 10045
179: ok 10046
179: ok 10047
179: ok 10048
179: ok 10049
179: ok 10050
179: ok 10051
179: ok 10052
179: ok 10053
179: ok 10054
179: ok 10055
179: ok 10056
179: ok 10057
179: ok 10058
179: ok 10059
179: ok 10060
179: ok 10061
179: ok 10062
179: ok 10063
179: ok 10064
179: ok 10065
179: ok 10066
179: ok 10067
179: ok 10068
179: ok 10069
179: ok 10070
179: ok 10071
179: ok 10072
179: ok 10073
179: ok 10074
179: ok 10075
179: ok 10076
179: ok 10077
179: ok 10078
179: ok 10079
179: ok 10080
179: ok 10081
179: ok 10082
179: ok 10083
179: ok 10084
179: ok 10085
179: ok 10086
179: ok 10087
179: ok 10088
179: ok 10089
179: ok 10090
179: ok 10091
179: ok 10092
179: ok 10093
179: ok 10094
179: ok 10095
179: ok 10096
179: ok 10097
179: ok 10098
179: ok 10099
179: ok 10100
179: ok 10101
179: ok 10102
179: ok 10103
179: ok 10104
179: ok 10105
179: ok 10106
179: ok 10107
179: ok 10108
179: ok 10109
179: ok 10110
179: ok 10111
179: ok 10112
179: ok 10113
179: ok 10114
179: ok 10115
179: ok 10116
179: ok 10117
179: ok 10118
179: ok 10119
179: ok 10120
179: ok 10121
179: ok 10122
179: ok 10123
179: ok 10124
179: ok 10125
179: ok 10126
179: ok 10127
179: ok 10128
179: ok 10129
179: ok 10130
179: ok 10131
179: ok 10132
179: ok 10133
179: ok 10134
179: ok 10135
179: ok 10136
179: ok 10137
179: ok 10138
179: ok 10139
179: ok 10140
179: ok 10141
179: ok 10142
179: ok 10143
179: ok 10144
179: ok 10145
179: ok 10146
179: ok 10147
179: ok 10148
179: ok 10149
179: ok 10150
179: ok 10151
179: ok 10152
179: ok 10153
179: ok 10154
179: ok 10155
179: ok 10156
179: ok 10157
179: ok 10158
179: ok 10159
179: ok 10160
179: ok 10161
179: ok 10162
179: ok 10163
179: ok 10164
179: ok 10165
179: ok 10166
179: ok 10167
179: ok 10168
179: ok 10169
179: ok 10170
179: ok 10171
179: ok 10172
179: ok 10173
179: ok 10174
179: ok 10175
179: ok 10176
179: ok 10177
179: ok 10178
179: ok 10179
179: ok 10180
179: ok 10181
179: ok 10182
179: ok 10183
179: ok 10184
179: ok 10185
179: ok 10186
179: ok 10187
179: ok 10188
179: ok 10189
179: ok 10190
179: ok 10191
179: ok 10192
179: ok 10193
179: ok 10194
179: ok 10195
179: ok 10196
179: ok 10197
179: ok 10198
179: ok 10199
179: ok 10200
179: ok 10201
179: ok 10202
179: ok 10203
179: ok 10204
179: ok 10205
179: ok 10206
179: ok 10207
179: ok 10208
179: ok 10209
179: ok 10210
179: ok 10211
179: ok 10212
179: ok 10213
179: ok 10214
179: ok 10215
179: ok 10216
179: ok 10217
179: ok 10218
179: ok 10219
179: ok 10220
179: ok 10221
179: ok 10222
179: ok 10223
179: ok 10224
179: ok 10225
179: ok 10226
179: ok 10227
179: ok 10228
179: ok 10229
179: ok 10230
179: ok 10231
179: ok 10232
179: ok 10233
179: ok 10234
179: ok 10235
179: ok 10236
179: ok 10237
179: ok 10238
179: ok 10239
179: ok 10240
179: ok 10241
179: ok 10242
179: ok 10243
179: ok 10244
179: ok 10245
179: ok 10246
179: ok 10247
179: ok 10248
179: ok 10249
179: ok 10250
179: ok 10251
179: ok 10252
179: ok 10253
179: ok 10254
179: ok 10255
179: ok 10256
179: ok 10257
179: ok 10258
179: ok 10259
179: ok 10260
179: ok 10261
179: ok 10262
179: ok 10263
179: ok 10264
179: ok 10265
179: ok 10266
179: ok 10267
179: ok 10268
179: ok 10269
179: ok 10270
179: ok 10271
179: ok 10272
179: ok 10273
179: ok 10274
179: ok 10275
179: ok 10276
179: ok 10277
179: ok 10278
179: ok 10279
179: ok 10280
179: ok 10281
179: ok 10282
179: ok 10283
179: ok 10284
179: ok 10285
179: ok 10286
179: ok 10287
179: ok 10288
179: ok 10289
179: ok 10290
179: ok 10291
179: ok 10292
179: ok 10293
179: ok 10294
179: ok 10295
179: ok 10296
179: ok 10297
179: ok 10298
179: ok 10299
179: ok 10300
179: ok 10301
179: ok 10302
179: ok 10303
179: ok 10304
179: ok 10305
179: ok 10306
179: ok 10307
179: ok 10308
179: ok 10309
179: ok 10310
179: ok 10311
179: ok 10312
179: ok 10313
179: ok 10314
179: ok 10315
179: ok 10316
179: ok 10317
179: ok 10318
179: ok 10319
179: ok 10320
179: ok 10321
179: ok 10322
179: ok 10323
179: ok 10324
179: ok 10325
179: ok 10326
179: ok 10327
179: ok 10328
179: ok 10329
179: ok 10330
179: ok 10331
179: ok 10332
179: ok 10333
179: ok 10334
179: ok 10335
179: ok 10336
179: ok 10337
179: ok 10338
179: ok 10339
179: ok 10340
179: ok 10341
179: ok 10342
179: ok 10343
179: ok 10344
179: ok 10345
179: ok 10346
179: ok 10347
179: ok 10348
179: ok 10349
179: ok 10350
179: ok 10351
179: ok 10352
179: ok 10353
179: ok 10354
179: ok 10355
179: ok 10356
179: ok 10357
179: ok 10358
179: ok 10359
179: ok 10360
179: ok 10361
179: ok 10362
179: ok 10363
179: ok 10364
179: ok 10365
179: ok 10366
179: ok 10367
179: ok 10368
179: ok 10369
179: ok 10370
179: ok 10371
179: ok 10372
179: ok 10373
179: ok 10374
179: ok 10375
179: ok 10376
179: ok 10377
179: ok 10378
179: ok 10379
179: ok 10380
179: ok 10381
179: ok 10382
179: ok 10383
179: ok 10384
179: ok 10385
179: ok 10386
179: ok 10387
179: ok 10388
179: ok 10389
179: ok 10390
179: ok 10391
179: ok 10392
179: ok 10393
179: ok 10394
179: ok 10395
179: ok 10396
179: ok 10397
179: ok 10398
179: ok 10399
179: ok 10400
179: ok 10401
179: ok 10402
179: ok 10403
179: ok 10404
179: ok 10405
179: ok 10406
179: ok 10407
179: ok 10408
179: ok 10409
179: ok 10410
179: ok 10411
179: ok 10412
179: ok 10413
179: ok 10414
179: ok 10415
179: ok 10416
179: ok 10417
179: ok 10418
179: ok 10419
179: ok 10420
179: ok 10421
179: ok 10422
179: ok 10423
179: ok 10424
179: ok 10425
179: ok 10426
179: ok 10427
179: ok 10428
179: ok 10429
179: ok 10430
179: ok 10431
179: ok 10432
179: ok 10433
179: ok 10434
179: ok 10435
179: ok 10436
179: ok 10437
179: ok 10438
179: ok 10439
179: ok 10440
179: ok 10441
179: ok 10442
179: ok 10443
179: ok 10444
179: ok 10445
179: ok 10446
179: ok 10447
179: ok 10448
179: ok 10449
179: ok 10450
179: ok 10451
179: ok 10452
179: ok 10453
179: ok 10454
179: ok 10455
179: ok 10456
179: ok 10457
179: ok 10458
179: ok 10459
179: ok 10460
179: ok 10461
179: ok 10462
179: ok 10463
179: ok 10464
179: ok 10465
179: ok 10466
179: ok 10467
179: ok 10468
179: ok 10469
179: ok 10470
179: ok 10471
179: ok 10472
179: ok 10473
179: ok 10474
179: ok 10475
179: ok 10476
179: ok 10477
179: ok 10478
179: ok 10479
179: ok 10480
179: ok 10481
179: ok 10482
179: ok 10483
179: ok 10484
179: ok 10485
179: ok 10486
179: ok 10487
179: ok 10488
179: ok 10489
179: ok 10490
179: ok 10491
179: ok 10492
179: ok 10493
179: ok 10494
179: ok 10495
179: ok 10496
179: ok 10497
179: ok 10498
179: ok 10499
179: ok 10500
179: ok 10501
179: ok 10502
179: ok 10503
179: ok 10504
179: ok 10505
179: ok 10506
179: ok 10507
179: ok 10508
179: ok 10509
179: ok 10510
179: ok 10511
179: ok 10512
179: ok 10513
179: ok 10514
179: ok 10515
179: ok 10516
179: ok 10517
179: ok 10518
179: ok 10519
179: ok 10520
179: ok 10521
179: ok 10522
179: ok 10523
179: ok 10524
179: ok 10525
179: ok 10526
179: ok 10527
179: ok 10528
179: ok 10529
179: ok 10530
179: ok 10531
179: ok 10532
179: ok 10533
179: ok 10534
179: ok 10535
179: ok 10536
179: ok 10537
179: ok 10538
179: ok 10539
179: ok 10540
179: ok 10541
179: ok 10542
179: ok 10543
179: ok 10544
179: ok 10545
179: ok 10546
179: ok 10547
179: ok 10548
179: ok 10549
179: ok 10550
179: ok 10551
179: ok 10552
179: ok 10553
179: ok 10554
179: ok 10555
179: ok 10556
179: ok 10557
179: ok 10558
179: ok 10559
179: ok 10560
179: ok 10561
179: ok 10562
179: ok 10563
179: ok 10564
179: ok 10565
179: ok 10566
179: ok 10567
179: ok 10568
179: ok 10569
179: ok 10570
179: ok 10571
179: ok 10572
179: ok 10573
179: ok 10574
179: ok 10575
179: ok 10576
179: ok 10577
179: ok 10578
179: ok 10579
179: ok 10580
179: ok 10581
179: ok 10582
179: ok 10583
179: ok 10584
179: ok 10585
179: ok 10586
179: ok 10587
179: ok 10588
179: ok 10589
179: ok 10590
179: ok 10591
179: ok 10592
179: ok 10593
179: ok 10594
179: ok 10595
179: ok 10596
179: ok 10597
179: ok 10598
179: ok 10599
179: ok 10600
179: ok 10601
179: ok 10602
179: ok 10603
179: ok 10604
179: ok 10605
179: ok 10606
179: ok 10607
179: ok 10608
179: ok 10609
179: ok 10610
179: ok 10611
179: ok 10612
179: ok 10613
179: ok 10614
179: ok 10615
179: ok 10616
179: ok 10617
179: ok 10618
179: ok 10619
179: ok 10620
179: ok 10621
179: ok 10622
179: ok 10623
179: ok 10624
179: ok 10625
179: ok 10626
179: ok 10627
179: ok 10628
179: ok 10629
179: ok 10630
179: ok 10631
179: ok 10632
179: ok 10633
179: ok 10634
179: ok 10635
179: ok 10636
179: ok 10637
179: ok 10638
179: ok 10639
179: ok 10640
179: ok 10641
179: ok 10642
179: ok 10643
179: ok 10644
179: ok 10645
179: ok 10646
179: ok 10647
179: ok 10648
179: ok 10649
179: ok 10650
179: ok 10651
179: ok 10652
179: ok 10653
179: ok 10654
179: ok 10655
179: ok 10656
179: ok 10657
179: ok 10658
179: ok 10659
179: ok 10660
179: ok 10661
179: ok 10662
179: ok 10663
179: ok 10664
179: ok 10665
179: ok 10666
179: ok 10667
179: ok 10668
179: ok 10669
179: ok 10670
179: ok 10671
179: ok 10672
179: ok 10673
179: ok 10674
179: ok 10675
179: ok 10676
179: ok 10677
179: ok 10678
179: ok 10679
179: ok 10680
179: ok 10681
179: ok 10682
179: ok 10683
179: ok 10684
179: ok 10685
179: ok 10686
179: ok 10687
179: ok 10688
179: ok 10689
179: ok 10690
179: ok 10691
179: ok 10692
179: ok 10693
179: ok 10694
179: ok 10695
179: ok 10696
179: ok 10697
179: ok 10698
179: ok 10699
179: ok 10700
179: ok 10701
179: ok 10702
179: ok 10703
179: ok 10704
179: ok 10705
179: ok 10706
179: ok 10707
179: ok 10708
179: ok 10709
179: ok 10710
179: ok 10711
179: ok 10712
179: ok 10713
179: ok 10714
179: ok 10715
179: ok 10716
179: ok 10717
179: ok 10718
179: ok 10719
179: ok 10720
179: ok 10721
179: ok 10722
179: ok 10723
179: ok 10724
179: ok 10725
179: ok 10726
179: ok 10727
179: ok 10728
179: ok 10729
179: ok 10730
179: ok 10731
179: ok 10732
179: ok 10733
179: ok 10734
179: ok 10735
179: ok 10736
179: ok 10737
179: ok 10738
179: ok 10739
179: ok 10740
179: ok 10741
179: ok 10742
179: ok 10743
179: ok 10744
179: ok 10745
179: ok 10746
179: ok 10747
179: ok 10748
179: ok 10749
179: ok 10750
179: ok 10751
179: ok 10752
179: ok 10753
179: ok 10754
179: ok 10755
179: ok 10756
179: ok 10757
179: ok 10758
179: ok 10759
179: ok 10760
179: ok 10761
179: ok 10762
179: ok 10763
179: ok 10764
179: ok 10765
179: ok 10766
179: ok 10767
179: ok 10768
179: ok 10769
179: ok 10770
179: ok 10771
179: ok 10772
179: ok 10773
179: ok 10774
179: ok 10775
179: ok 10776
179: ok 10777
179: ok 10778
179: ok 10779
179: ok 10780
179: ok 10781
179: ok 10782
179: ok 10783
179: ok 10784
179: ok 10785
179: ok 10786
179: ok 10787
179: ok 10788
179: ok 10789
179: ok 10790
179: ok 10791
179: ok 10792
179: ok 10793
179: ok 10794
179: ok 10795
179: ok 10796
179: ok 10797
179: ok 10798
179: ok 10799
179: ok 10800
179: ok 10801
179: ok 10802
179: ok 10803
179: ok 10804
179: ok 10805
179: ok 10806
179: ok 10807
179: ok 10808
179: ok 10809
179: ok 10810
179: ok 10811
179: ok 10812
179: ok 10813
179: ok 10814
179: ok 10815
179: ok 10816
179: ok 10817
179: ok 10818
179: ok 10819
179: ok 10820
179: ok 10821
179: ok 10822
179: ok 10823
179: ok 10824
179: ok 10825
179: ok 10826
179: ok 10827
179: ok 10828
179: ok 10829
179: ok 10830
179: ok 10831
179: ok 10832
179: ok 10833
179: ok 10834
179: ok 10835
179: ok 10836
179: ok 10837
179: ok 10838
179: ok 10839
179: ok 10840
179: ok 10841
179: ok 10842
179: ok 10843
179: ok 10844
179: ok 10845
179: ok 10846
179: ok 10847
179: ok 10848
179: ok 10849
179: ok 10850
179: ok 10851
179: ok 10852
179: ok 10853
179: ok 10854
179: ok 10855
179: ok 10856
179: ok 10857
179: ok 10858
179: ok 10859
179: ok 10860
179: ok 10861
179: ok 10862
179: ok 10863
179: ok 10864
179: ok 10865
179: ok 10866
179: ok 10867
179: ok 10868
179: ok 10869
179: ok 10870
179: ok 10871
179: ok 10872
179: ok 10873
179: ok 10874
179: ok 10875
179: ok 10876
179: ok 10877
179: ok 10878
179: ok 10879
179: ok 10880
179: ok 10881
179: ok 10882
179: ok 10883
179: ok 10884
179: ok 10885
179: ok 10886
179: ok 10887
179: ok 10888
179: ok 10889
179: ok 10890
179: ok 10891
179: ok 10892
179: ok 10893
179: ok 10894
179: ok 10895
179: ok 10896
179: ok 10897
179: ok 10898
179: ok 10899
179: ok 10900
179: ok 10901
179: ok 10902
179: ok 10903
179: ok 10904
179: ok 10905
179: ok 10906
179: ok 10907
179: ok 10908
179: ok 10909
179: ok 10910
179: ok 10911
179: ok 10912
179: ok 10913
179: ok 10914
179: ok 10915
179: ok 10916
179: ok 10917
179: ok 10918
179: ok 10919
179: ok 10920
179: ok 10921
179: ok 10922
179: ok 10923
179: ok 10924
179: ok 10925
179: ok 10926
179: ok 10927
179: ok 10928
179: ok 10929
179: ok 10930
179: ok 10931
179: ok 10932
179: ok 10933
179: ok 10934
179: ok 10935
179: ok 10936
179: ok 10937
179: ok 10938
179: ok 10939
179: ok 10940
179: ok 10941
179: ok 10942
179: ok 10943
179: ok 10944
179: ok 10945
179: ok 10946
179: ok 10947
179: ok 10948
179: ok 10949
179: ok 10950
179: ok 10951
179: ok 10952
179: ok 10953
179: ok 10954
179: ok 10955
179: ok 10956
179: ok 10957
179: ok 10958
179: ok 10959
179: ok 10960
179: ok 10961
179: ok 10962
179: ok 10963
179: ok 10964
179: ok 10965
179: ok 10966
179: ok 10967
179: ok 10968
179: ok 10969
179: ok 10970
179: ok 10971
179: ok 10972
179: ok 10973
179: ok 10974
179: ok 10975
179: ok 10976
179: ok 10977
179: ok 10978
179: ok 10979
179: ok 10980
179: ok 10981
179: ok 10982
179: ok 10983
179: ok 10984
179: ok 10985
179: ok 10986
179: ok 10987
179: ok 10988
179: ok 10989
179: ok 10990
179: ok 10991
179: ok 10992
179: ok 10993
179: ok 10994
179: ok 10995
179: ok 10996
179: ok 10997
179: ok 10998
179: ok 10999
179: ok 11000
179: ok 11001
179: ok 11002
179: ok 11003
179: ok 11004
179: ok 11005
179: ok 11006
179: ok 11007
179: ok 11008
179: ok 11009
179: ok 11010
179: ok 11011
179: ok 11012
179: ok 11013
179: ok 11014
179: ok 11015
179: ok 11016
179: ok 11017
179: ok 11018
179: ok 11019
179: ok 11020
179: ok 11021
179: ok 11022
179: ok 11023
179: ok 11024
179: ok 11025
179: ok 11026
179: ok 11027
179: ok 11028
179: ok 11029
179: ok 11030
179: ok 11031
179: ok 11032
179: ok 11033
179: ok 11034
179: ok 11035
179: ok 11036
179: ok 11037
179: ok 11038
179: ok 11039
179: ok 11040
179: ok 11041
179: ok 11042
179: ok 11043
179: ok 11044
179: ok 11045
179: ok 11046
179: ok 11047
179: ok 11048
179: ok 11049
179: ok 11050
179: ok 11051
179: ok 11052
179: ok 11053
179: ok 11054
179: ok 11055
179: ok 11056
179: ok 11057
179: ok 11058
179: ok 11059
179: ok 11060
179: ok 11061
179: ok 11062
179: ok 11063
179: ok 11064
179: ok 11065
179: ok 11066
179: ok 11067
179: ok 11068
179: ok 11069
179: ok 11070
179: ok 11071
179: ok 11072
179: ok 11073
179: ok 11074
179: ok 11075
179: ok 11076
179: ok 11077
179: ok 11078
179: ok 11079
179: ok 11080
179: ok 11081
179: ok 11082
179: ok 11083
179: ok 11084
179: ok 11085
179: ok 11086
179: ok 11087
179: ok 11088
179: ok 11089
179: ok 11090
179: ok 11091
179: ok 11092
179: ok 11093
179: ok 11094
179: ok 11095
179: ok 11096
179: ok 11097
179: ok 11098
179: ok 11099
179: ok 11100
179: ok 11101
179: ok 11102
179: ok 11103
179: ok 11104
179: ok 11105
179: ok 11106
179: ok 11107
179: ok 11108
179: ok 11109
179: ok 11110
179: ok 11111
179: ok 11112
179: ok 11113
179: ok 11114
179: ok 11115
179: ok 11116
179: ok 11117
179: ok 11118
179: ok 11119
179: ok 11120
179: ok 11121
179: ok 11122
179: ok 11123
179: ok 11124
179: ok 11125
179: ok 11126
179: ok 11127
179: ok 11128
179: ok 11129
179: ok 11130
179: ok 11131
179: ok 11132
179: ok 11133
179: ok 11134
179: ok 11135
179: ok 11136
179: ok 11137
179: ok 11138
179: ok 11139
179: ok 11140
179: ok 11141
179: ok 11142
179: ok 11143
179: ok 11144
179: ok 11145
179: ok 11146
179: ok 11147
179: ok 11148
179: ok 11149
179: ok 11150
179: ok 11151
179: ok 11152
179: ok 11153
179: ok 11154
179: ok 11155
179: ok 11156
179: ok 11157
179: ok 11158
179: ok 11159
179: ok 11160
179: ok 11161
179: ok 11162
179: ok 11163
179: ok 11164
179: ok 11165
179: ok 11166
179: ok 11167
179: ok 11168
179: ok 11169
179: ok 11170
179: ok 11171
179: ok 11172
179: ok 11173
179: ok 11174
179: ok 11175
179: ok 11176
179: ok 11177
179: ok 11178
179: ok 11179
179: ok 11180
179: ok 11181
179: ok 11182
179: ok 11183
179: ok 11184
179: ok 11185
179: ok 11186
179: ok 11187
179: ok 11188
179: ok 11189
179: ok 11190
179: ok 11191
179: ok 11192
179: ok 11193
179: ok 11194
179: ok 11195
179: ok 11196
179: ok 11197
179: ok 11198
179: ok 11199
179: ok 11200
179: ok 11201
179: ok 11202
179: ok 11203
179: ok 11204
179: ok 11205
179: ok 11206
179: ok 11207
179: ok 11208
179: ok 11209
179: ok 11210
179: ok 11211
179: ok 11212
179: ok 11213
179: ok 11214
179: ok 11215
179: ok 11216
179: ok 11217
179: ok 11218
179: ok 11219
179: ok 11220
179: ok 11221
179: ok 11222
179: ok 11223
179: ok 11224
179: ok 11225
179: ok 11226
179: ok 11227
179: ok 11228
179: ok 11229
179: ok 11230
179: ok 11231
179: ok 11232
179: ok 11233
179: ok 11234
179: ok 11235
179: ok 11236
179: ok 11237
179: ok 11238
179: ok 11239
179: ok 11240
179: ok 11241
179: ok 11242
179: ok 11243
179: ok 11244
179: ok 11245
179: ok 11246
179: ok 11247
179: ok 11248
179: ok 11249
179: ok 11250
179: ok 11251
179: ok 11252
179: ok 11253
179: ok 11254
179: ok 11255
179: ok 11256
179: ok 11257
179: ok 11258
179: ok 11259
179: ok 11260
179: ok 11261
179: ok 11262
179: ok 11263
179: ok 11264
179: ok 11265
179: ok 11266
179: ok 11267
179: ok 11268
179: ok 11269
179: ok 11270
179: ok 11271
179: ok 11272
179: ok 11273
179: ok 11274
179: ok 11275
179: ok 11276
179: ok 11277
179: ok 11278
179: ok 11279
179: ok 11280
179: ok 11281
179: ok 11282
179: ok 11283
179: ok 11284
179: ok 11285
179: ok 11286
179: ok 11287
179: ok 11288
179: ok 11289
179: ok 11290
179: ok 11291
179: ok 11292
179: ok 11293
179: ok 11294
179: ok 11295
179: ok 11296
179: ok 11297
179: ok 11298
179: ok 11299
179: ok 11300
179: ok 11301
179: ok 11302
179: ok 11303
179: ok 11304
179: ok 11305
179: ok 11306
179: ok 11307
179: ok 11308
179: ok 11309
179: ok 11310
179: ok 11311
179: ok 11312
179: ok 11313
179: ok 11314
179: ok 11315
179: ok 11316
179: ok 11317
179: ok 11318
179: ok 11319
179: ok 11320
179: ok 11321
179: ok 11322
179: ok 11323
179: ok 11324
179: ok 11325
179: ok 11326
179: ok 11327
179: ok 11328
179: ok 11329
179: ok 11330
179: ok 11331
179: ok 11332
179: ok 11333
179: ok 11334
179: ok 11335
179: ok 11336
179: ok 11337
179: ok 11338
179: ok 11339
179: ok 11340
179: ok 11341
179: ok 11342
179: ok 11343
179: ok 11344
179: ok 11345
179: ok 11346
179: ok 11347
179: ok 11348
179: ok 11349
179: ok 11350
179: ok 11351
179: ok 11352
179: ok 11353
179: ok 11354
179: ok 11355
179: ok 11356
179: ok 11357
179: ok 11358
179: ok 11359
179: ok 11360
179: ok 11361
179: ok 11362
179: ok 11363
179: ok 11364
179: ok 11365
179: ok 11366
179: ok 11367
179: ok 11368
179: ok 11369
179: ok 11370
179: ok 11371
179: ok 11372
179: ok 11373
179: ok 11374
179: ok 11375
179: ok 11376
179: ok 11377
179: ok 11378
179: ok 11379
179: ok 11380
179: ok 11381
179: ok 11382
179: ok 11383
179: ok 11384
179: ok 11385
179: ok 11386
179: ok 11387
179: ok 11388
179: ok 11389
179: ok 11390
179: ok 11391
179: ok 11392
179: ok 11393
179: ok 11394
179: ok 11395
179: ok 11396
179: ok 11397
179: ok 11398
179: ok 11399
179: ok 11400
179: ok 11401
179: ok 11402
179: ok 11403
179: ok 11404
179: ok 11405
179: ok 11406
179: ok 11407
179: ok 11408
179: ok 11409
179: ok 11410
179: ok 11411
179: ok 11412
179: ok 11413
179: ok 11414
179: ok 11415
179: ok 11416
179: ok 11417
179: ok 11418
179: ok 11419
179: ok 11420
179: ok 11421
179: ok 11422
179: ok 11423
179: ok 11424
179: ok 11425
179: ok 11426
179: ok 11427
179: ok 11428
179: ok 11429
179: ok 11430
179: ok 11431
179: ok 11432
179: ok 11433
179: ok 11434
179: ok 11435
179: ok 11436
179: ok 11437
179: ok 11438
179: ok 11439
179: ok 11440
179: ok 11441
179: ok 11442
179: ok 11443
179: ok 11444
179: ok 11445
179: ok 11446
179: ok 11447
179: ok 11448
179: ok 11449
179: ok 11450
179: ok 11451
179: ok 11452
179: ok 11453
179: ok 11454
179: ok 11455
179: ok 11456
179: ok 11457
179: ok 11458
179: ok 11459
179: ok 11460
179: ok 11461
179: ok 11462
179: ok 11463
179: ok 11464
179: ok 11465
179: ok 11466
179: ok 11467
179: ok 11468
179: ok 11469
179: ok 11470
179: ok 11471
179: ok 11472
179: ok 11473
179: ok 11474
179: ok 11475
179: ok 11476
179: ok 11477
179: ok 11478
179: ok 11479
179: ok 11480
179: ok 11481
179: ok 11482
179: ok 11483
179: ok 11484
179: ok 11485
179: ok 11486
179: ok 11487
179: ok 11488
179: ok 11489
179: ok 11490
179: ok 11491
179: ok 11492
179: ok 11493
179: ok 11494
179: ok 11495
179: ok 11496
179: ok 11497
179: ok 11498
179: ok 11499
179: ok 11500
179: ok 11501
179: ok 11502
179: ok 11503
179: ok 11504
179: ok 11505
179: ok 11506
179: ok 11507
179: ok 11508
179: ok 11509
179: ok 11510
179: ok 11511
179: ok 11512
179: ok 11513
179: ok 11514
179: ok 11515
179: ok 11516
179: ok 11517
179: ok 11518
179: ok 11519
179: ok 11520
179: ok 11521
179: ok 11522
179: ok 11523
179: ok 11524
179: ok 11525
179: ok 11526
179: ok 11527
179: ok 11528
179: ok 11529
179: ok 11530
179: ok 11531
179: ok 11532
179: ok 11533
179: ok 11534
179: ok 11535
179: ok 11536
179: ok 11537
179: ok 11538
179: ok 11539
179: ok 11540
179: ok 11541
179: ok 11542
179: ok 11543
179: ok 11544
179: ok 11545
179: ok 11546
179: ok 11547
179: ok 11548
179: ok 11549
179: ok 11550
179: ok 11551
179: ok 11552
179: ok 11553
179: ok 11554
179: ok 11555
179: ok 11556
179: ok 11557
179: ok 11558
179: ok 11559
179: ok 11560
179: ok 11561
179: ok 11562
179: ok 11563
179: ok 11564
179: ok 11565
179: ok 11566
179: ok 11567
179: ok 11568
179: ok 11569
179: ok 11570
179: ok 11571
179: ok 11572
179: ok 11573
179: ok 11574
179: ok 11575
179: ok 11576
179: ok 11577
179: ok 11578
179: ok 11579
179: ok 11580
179: ok 11581
179: ok 11582
179: ok 11583
179: ok 11584
179: ok 11585
179: ok 11586
179: ok 11587
179: ok 11588
179: ok 11589
179: ok 11590
179: ok 11591
179: ok 11592
179: ok 11593
179: ok 11594
179: ok 11595
179: ok 11596
179: ok 11597
179: ok 11598
179: ok 11599
179: ok 11600
179: ok 11601
179: ok 11602
179: ok 11603
179: ok 11604
179: ok 11605
179: ok 11606
179: ok 11607
179: ok 11608
179: ok 11609
179: ok 11610
179: ok 11611
179: ok 11612
179: ok 11613
179: ok 11614
179: ok 11615
179: ok 11616
179: ok 11617
179: ok 11618
179: ok 11619
179: ok 11620
179: ok 11621
179: ok 11622
179: ok 11623
179: ok 11624
179: ok 11625
179: ok 11626
179: ok 11627
179: ok 11628
179: ok 11629
179: ok 11630
179: ok 11631
179: ok 11632
179: ok 11633
179: ok 11634
179: ok 11635
179: ok 11636
179: ok 11637
179: ok 11638
179: ok 11639
179: ok 11640
179: ok 11641
179: ok 11642
179: ok 11643
179: ok 11644
179: ok 11645
179: ok 11646
179: ok 11647
179: ok 11648
179: ok 11649
179: ok 11650
179: ok 11651
179: ok 11652
179: ok 11653
179: ok 11654
179: ok 11655
179: ok 11656
179: ok 11657
179: ok 11658
179: ok 11659
179: ok 11660
179: ok 11661
179: ok 11662
179: ok 11663
179: ok 11664
179: ok 11665
179: ok 11666
179: ok 11667
179: ok 11668
179: ok 11669
179: ok 11670
179: ok 11671
179: ok 11672
179: ok 11673
179: ok 11674
179: ok 11675
179: ok 11676
179: ok 11677
179: ok 11678
179: ok 11679
179: ok 11680
179: ok 11681
179: ok 11682
179: ok 11683
179: ok 11684
179: ok 11685
179: ok 11686
179: ok 11687
179: ok 11688
179: ok 11689
179: ok 11690
179: ok 11691
179: ok 11692
179: ok 11693
179: ok 11694
179: ok 11695
179: ok 11696
179: ok 11697
179: ok 11698
179: ok 11699
179: ok 11700
179: ok 11701
179: ok 11702
179: ok 11703
179: ok 11704
179: ok 11705
179: ok 11706
179: ok 11707
179: ok 11708
179: ok 11709
179: ok 11710
179: ok 11711
179: ok 11712
179: ok 11713
179: ok 11714
179: ok 11715
179: ok 11716
179: ok 11717
179: ok 11718
179: ok 11719
179: ok 11720
179: ok 11721
179: ok 11722
179: ok 11723
179: ok 11724
179: ok 11725
179: ok 11726
179: ok 11727
179: ok 11728
179: ok 11729
179: ok 11730
179: ok 11731
179: ok 11732
179: ok 11733
179: ok 11734
179: ok 11735
179: ok 11736
179: ok 11737
179: ok 11738
179: ok 11739
179: ok 11740
179: ok 11741
179: ok 11742
179: ok 11743
179: ok 11744
179: ok 11745
179: ok 11746
179: ok 11747
179: ok 11748
179: ok 11749
179: ok 11750
179: ok 11751
179: ok 11752
179: ok 11753
179: ok 11754
179: ok 11755
179: ok 11756
179: ok 11757
179: ok 11758
179: ok 11759
179: ok 11760
179: ok 11761
179: ok 11762
179: ok 11763
179: ok 11764
179: ok 11765
179: ok 11766
179: ok 11767
179: ok 11768
179: ok 11769
179: ok 11770
179: ok 11771
179: ok 11772
179: ok 11773
179: ok 11774
179: ok 11775
179: ok 11776
179: ok 11777
179: ok 11778
179: ok 11779
179: ok 11780
179: ok 11781
179: ok 11782
179: ok 11783
179: ok 11784
179: ok 11785
179: ok 11786
179: ok 11787
179: ok 11788
179: ok 11789
179: ok 11790
179: ok 11791
179: ok 11792
179: ok 11793
179: ok 11794
179: ok 11795
179: ok 11796
179: ok 11797
179: ok 11798
179: ok 11799
179: ok 11800
179: ok 11801
179: ok 11802
179: ok 11803
179: ok 11804
179: ok 11805
179: ok 11806
179: ok 11807
179: ok 11808
179: ok 11809
179: ok 11810
179: ok 11811
179: ok 11812
179: ok 11813
179: ok 11814
179: ok 11815
179: ok 11816
179: ok 11817
179: ok 11818
179: ok 11819
179: ok 11820
179: ok 11821
179: ok 11822
179: ok 11823
179: ok 11824
179: ok 11825
179: ok 11826
179: ok 11827
179: ok 11828
179: ok 11829
179: ok 11830
179: ok 11831
179: ok 11832
179: ok 11833
179: ok 11834
179: ok 11835
179: ok 11836
179: ok 11837
179: ok 11838
179: ok 11839
179: ok 11840
179: ok 11841
179: ok 11842
179: ok 11843
179: ok 11844
179: ok 11845
179: ok 11846
179: ok 11847
179: ok 11848
179: ok 11849
179: ok 11850
179: ok 11851
179: ok 11852
179: ok 11853
179: ok 11854
179: ok 11855
179: ok 11856
179: ok 11857
179: ok 11858
179: ok 11859
179: ok 11860
179: ok 11861
179: ok 11862
179: ok 11863
179: ok 11864
179: ok 11865
179: ok 11866
179: ok 11867
179: ok 11868
179: ok 11869
179: ok 11870
179: ok 11871
179: ok 11872
179: ok 11873
179: ok 11874
179: ok 11875
179: ok 11876
179: ok 11877
179: ok 11878
179: ok 11879
179: ok 11880
179: ok 11881
179: ok 11882
179: ok 11883
179: ok 11884
179: ok 11885
179: ok 11886
179: ok 11887
179: ok 11888
179: ok 11889
179: ok 11890
179: ok 11891
179: ok 11892
179: ok 11893
179: ok 11894
179: ok 11895
179: ok 11896
179: ok 11897
179: ok 11898
179: ok 11899
179: ok 11900
179: ok 11901
179: ok 11902
179: ok 11903
179: ok 11904
179: ok 11905
179: ok 11906
179: ok 11907
179: ok 11908
179: ok 11909
179: ok 11910
179: ok 11911
179: ok 11912
179: ok 11913
179: ok 11914
179: ok 11915
179: ok 11916
179: ok 11917
179: ok 11918
179: ok 11919
179: ok 11920
179: ok 11921
179: ok 11922
179: ok 11923
179: ok 11924
179: ok 11925
179: ok 11926
179: ok 11927
179: ok 11928
179: ok 11929
179: ok 11930
179: ok 11931
179: ok 11932
179: ok 11933
179: ok 11934
179: ok 11935
179: ok 11936
179: ok 11937
179: ok 11938
179: ok 11939
179: ok 11940
179: ok 11941
179: ok 11942
179: ok 11943
179: ok 11944
179: ok 11945
179: ok 11946
179: ok 11947
179: ok 11948
179: ok 11949
179: ok 11950
179: ok 11951
179: ok 11952
179: ok 11953
179: ok 11954
179: ok 11955
179: ok 11956
179: ok 11957
179: ok 11958
179: ok 11959
179: ok 11960
179: ok 11961
179: ok 11962
179: ok 11963
179: ok 11964
179: ok 11965
179: ok 11966
179: ok 11967
179: ok 11968
179: ok 11969
179: ok 11970
179: ok 11971
179: ok 11972
179: ok 11973
179: ok 11974
179: ok 11975
179: ok 11976
179: ok 11977
179: ok 11978
179: ok 11979
179: ok 11980
179: ok 11981
179: ok 11982
179: ok 11983
179: ok 11984
179: ok 11985
179: ok 11986
179: ok 11987
179: ok 11988
179: ok 11989
179: ok 11990
179: ok 11991
179: ok 11992
179: ok 11993
179: ok 11994
179: ok 11995
179: ok 11996
179: ok 11997
179: ok 11998
179: ok 11999
179: ok 12000
179: ok 12001
179: ok 12002
179: ok 12003
179: ok 12004
179: ok 12005
179: ok 12006
179: ok 12007
179: ok 12008
179: ok 12009
179: ok 12010
179: ok 12011
179: ok 12012
179: ok 12013
179: ok 12014
179: ok 12015
179: ok 12016
179: ok 12017
179: ok 12018
179: ok 12019
179: ok 12020
179: ok 12021
179: ok 12022
179: ok 12023
179: ok 12024
179: ok 12025
179: ok 12026
179: ok 12027
179: ok 12028
179: ok 12029
179: ok 12030
179: ok 12031
179: ok 12032
179: ok 12033
179: ok 12034
179: ok 12035
179: ok 12036
179: ok 12037
179: ok 12038
179: ok 12039
179: ok 12040
179: ok 12041
179: ok 12042
179: ok 12043
179: ok 12044
179: ok 12045
179: ok 12046
179: ok 12047
179: ok 12048
179: ok 12049
179: ok 12050
179: ok 12051
179: ok 12052
179: ok 12053
179: ok 12054
179: ok 12055
179: ok 12056
179: ok 12057
179: ok 12058
179: ok 12059
179: ok 12060
179: ok 12061
179: ok 12062
179: ok 12063
179: ok 12064
179: ok 12065
179: ok 12066
179: ok 12067
179: ok 12068
179: ok 12069
179: ok 12070
179: ok 12071
179: ok 12072
179: ok 12073
179: ok 12074
179: ok 12075
179: ok 12076
179: ok 12077
179: ok 12078
179: ok 12079
179: ok 12080
179: ok 12081
179: ok 12082
179: ok 12083
179: ok 12084
179: ok 12085
179: ok 12086
179: ok 12087
179: ok 12088
179: ok 12089
179: ok 12090
179: ok 12091
179: ok 12092
179: ok 12093
179: ok 12094
179: ok 12095
179: ok 12096
179: ok 12097
179: ok 12098
179: ok 12099
179: ok 12100
179: ok 12101
179: ok 12102
179: ok 12103
179: ok 12104
179: ok 12105
179: ok 12106
179: ok 12107
179: ok 12108
179: ok 12109
179: ok 12110
179: ok 12111
179: ok 12112
179: ok 12113
179: ok 12114
179: ok 12115
179: ok 12116
179: ok 12117
179: ok 12118
179: ok 12119
179: ok 12120
179: ok 12121
179: ok 12122
179: ok 12123
179: ok 12124
179: ok 12125
179: ok 12126
179: ok 12127
179: ok 12128
179: ok 12129
179: ok 12130
179: ok 12131
179: ok 12132
179: ok 12133
179: ok 12134
179: ok 12135
179: ok 12136
179: ok 12137
179: ok 12138
179: ok 12139
179: ok 12140
179: ok 12141
179: ok 12142
179: ok 12143
179: ok 12144
179: ok 12145
179: ok 12146
179: ok 12147
179: ok 12148
179: ok 12149
179: ok 12150
179: ok 12151
179: ok 12152
179: ok 12153
179: ok 12154
179: ok 12155
179: ok 12156
179: ok 12157
179: ok 12158
179: ok 12159
179: ok 12160
179: ok 12161
179: ok 12162
179: ok 12163
179: ok 12164
179: ok 12165
179: ok 12166
179: ok 12167
179: ok 12168
179: ok 12169
179: ok 12170
179: ok 12171
179: ok 12172
179: ok 12173
179: ok 12174
179: ok 12175
179: ok 12176
179: ok 12177
179: ok 12178
179: ok 12179
179: ok 12180
179: ok 12181
179: ok 12182
179: ok 12183
179: ok 12184
179: ok 12185
179: ok 12186
179: ok 12187
179: ok 12188
179: ok 12189
179: ok 12190
179: ok 12191
179: ok 12192
179: ok 12193
179: ok 12194
179: ok 12195
179: ok 12196
179: ok 12197
179: ok 12198
179: ok 12199
179: ok 12200
179: ok 12201
179: ok 12202
179: ok 12203
179: ok 12204
179: ok 12205
179: ok 12206
179: ok 12207
179: ok 12208
179: ok 12209
179: ok 12210
179: ok 12211
179: ok 12212
179: ok 12213
179: ok 12214
179: ok 12215
179: ok 12216
179: ok 12217
179: ok 12218
179: ok 12219
179: ok 12220
179: ok 12221
179: ok 12222
179: ok 12223
179: ok 12224
179: ok 12225
179: ok 12226
179: ok 12227
179: ok 12228
179: ok 12229
179: ok 12230
179: ok 12231
179: ok 12232
179: ok 12233
179: ok 12234
179: ok 12235
179: ok 12236
179: ok 12237
179: ok 12238
179: ok 12239
179: ok 12240
179: ok 12241
179: ok 12242
179: ok 12243
179: ok 12244
179: ok 12245
179: ok 12246
179: ok 12247
179: ok 12248
179: ok 12249
179: ok 12250
179: ok 12251
179: ok 12252
179: ok 12253
179: ok 12254
179: ok 12255
179: ok 12256
179: ok 12257
179: ok 12258
179: ok 12259
179: ok 12260
179: ok 12261
179: ok 12262
179: ok 12263
179: ok 12264
179: ok 12265
179: ok 12266
179: ok 12267
179: ok 12268
179: ok 12269
179: ok 12270
179: ok 12271
179: ok 12272
179: ok 12273
179: ok 12274
179: ok 12275
179: ok 12276
179: ok 12277
179: ok 12278
179: ok 12279
179: ok 12280
179: ok 12281
179: ok 12282
179: ok 12283
179: ok 12284
179: ok 12285
179: ok 12286
179: ok 12287
179: ok 12288
179: ok 12289
179: ok 12290
179: ok 12291
179: ok 12292
179: ok 12293
179: ok 12294
179: ok 12295
179: ok 12296
179: ok 12297
179: ok 12298
179: ok 12299
179: ok 12300
179: ok 12301
179: ok 12302
179: ok 12303
179: ok 12304
179: ok 12305
179: ok 12306
179: ok 12307
179: ok 12308
179: ok 12309
179: ok 12310
179: ok 12311
179: ok 12312
179: ok 12313
179: ok 12314
179: ok 12315
179: ok 12316
179: ok 12317
179: ok 12318
179: ok 12319
179: ok 12320
179: ok 12321
179: ok 12322
179: ok 12323
179: ok 12324
179: ok 12325
179: ok 12326
179: ok 12327
179: ok 12328
179: ok 12329
179: ok 12330
179: ok 12331
179: ok 12332
179: ok 12333
179: ok 12334
179: ok 12335
179: ok 12336
179: ok 12337
179: ok 12338
179: ok 12339
179: ok 12340
179: ok 12341
179: ok 12342
179: ok 12343
179: ok 12344
179: ok 12345
179: ok 12346
179: ok 12347
179: ok 12348
179: ok 12349
179: ok 12350
179: ok 12351
179: ok 12352
179: ok 12353
179: ok 12354
179: ok 12355
179: ok 12356
179: ok 12357
179: ok 12358
179: ok 12359
179: ok 12360
179: ok 12361
179: ok 12362
179: ok 12363
179: ok 12364
179: ok 12365
179: ok 12366
179: ok 12367
179: ok 12368
179: ok 12369
179: ok 12370
179: ok 12371
179: ok 12372
179: ok 12373
179: ok 12374
179: ok 12375
179: ok 12376
179: ok 12377
179: ok 12378
179: ok 12379
179: ok 12380
179: ok 12381
179: ok 12382
179: ok 12383
179: ok 12384
179: ok 12385
179: ok 12386
179: ok 12387
179: ok 12388
179: ok 12389
179: ok 12390
179: ok 12391
179: ok 12392
179: ok 12393
179: ok 12394
179: ok 12395
179: ok 12396
179: ok 12397
179: ok 12398
179: ok 12399
179: ok 12400
179: ok 12401
179: ok 12402
179: ok 12403
179: ok 12404
179: ok 12405
179: ok 12406
179: ok 12407
179: ok 12408
179: ok 12409
179: ok 12410
179: ok 12411
179: ok 12412
179: ok 12413
179: ok 12414
179: ok 12415
179: ok 12416
179: ok 12417
179: ok 12418
179: ok 12419
179: ok 12420
179: ok 12421
179: ok 12422
179: ok 12423
179: ok 12424
179: ok 12425
179: ok 12426
179: ok 12427
179: ok 12428
179: ok 12429
179: ok 12430
179: ok 12431
179: ok 12432
179: ok 12433
179: ok 12434
179: ok 12435
179: ok 12436
179: ok 12437
179: ok 12438
179: ok 12439
179: ok 12440
179: ok 12441
179: ok 12442
179: ok 12443
179: ok 12444
179: ok 12445
179: ok 12446
179: ok 12447
179: ok 12448
179: ok 12449
179: ok 12450
179: ok 12451
179: ok 12452
179: ok 12453
179: ok 12454
179: ok 12455
179: ok 12456
179: ok 12457
179: ok 12458
179: ok 12459
179: ok 12460
179: ok 12461
179: ok 12462
179: ok 12463
179: ok 12464
179: ok 12465
179: ok 12466
179: ok 12467
179: ok 12468
179: ok 12469
179: ok 12470
179: ok 12471
179: ok 12472
179: ok 12473
179: ok 12474
179: ok 12475
179: ok 12476
179: ok 12477
179: ok 12478
179: ok 12479
179: ok 12480
179: ok 12481
179: ok 12482
179: ok 12483
179: ok 12484
179: ok 12485
179: ok 12486
179: ok 12487
179: ok 12488
179: ok 12489
179: ok 12490
179: ok 12491
179: ok 12492
179: ok 12493
179: ok 12494
179: ok 12495
179: ok 12496
179: ok 12497
179: ok 12498
179: ok 12499
179: ok 12500
179: ok 12501
179: ok 12502
179: ok 12503
179: ok 12504
179: ok 12505
179: ok 12506
179: ok 12507
179: ok 12508
179: ok 12509
179: ok 12510
179: ok 12511
179: ok 12512
179: ok 12513
179: ok 12514
179: ok 12515
179: ok 12516
179: ok 12517
179: ok 12518
179: ok 12519
179: ok 12520
179: ok 12521
179: ok 12522
179: ok 12523
179: ok 12524
179: ok 12525
179: ok 12526
179: ok 12527
179: ok 12528
179: ok 12529
179: ok 12530
179: ok 12531
179: ok 12532
179: ok 12533
179: ok 12534
179: ok 12535
179: ok 12536
179: ok 12537
179: ok 12538
179: ok 12539
179: ok 12540
179: ok 12541
179: ok 12542
179: ok 12543
179: ok 12544
179: ok 12545
179: ok 12546
179: ok 12547
179: ok 12548
179: ok 12549
179: ok 12550
179: ok 12551
179: ok 12552
179: ok 12553
179: ok 12554
179: ok 12555
179: ok 12556
179: ok 12557
179: ok 12558
179: ok 12559
179: ok 12560
179: ok 12561
179: ok 12562
179: ok 12563
179: ok 12564
179: ok 12565
179: ok 12566
179: ok 12567
179: ok 12568
179: ok 12569
179: ok 12570
179: ok 12571
179: ok 12572
179: ok 12573
179: ok 12574
179: ok 12575
179: ok 12576
179: ok 12577
179: ok 12578
179: ok 12579
179: ok 12580
179: ok 12581
179: ok 12582
179: ok 12583
179: ok 12584
179: ok 12585
179: ok 12586
179: ok 12587
179: ok 12588
179: ok 12589
179: ok 12590
179: ok 12591
179: ok 12592
179: ok 12593
179: ok 12594
179: ok 12595
179: ok 12596
179: ok 12597
179: ok 12598
179: ok 12599
179: ok 12600
179: ok 12601
179: ok 12602
179: ok 12603
179: ok 12604
179: ok 12605
179: ok 12606
179: ok 12607
179: ok 12608
179: ok 12609
179: ok 12610
179: ok 12611
179: ok 12612
179: ok 12613
179: ok 12614
179: ok 12615
179: ok 12616
179: ok 12617
179: ok 12618
179: ok 12619
179: ok 12620
179: ok 12621
179: ok 12622
179: ok 12623
179: ok 12624
179: ok 12625
179: ok 12626
179: ok 12627
179: ok 12628
179: ok 12629
179: ok 12630
179: ok 12631
179: ok 12632
179: ok 12633
179: ok 12634
179: ok 12635
179: ok 12636
179: ok 12637
179: ok 12638
179: ok 12639
179: ok 12640
179: ok 12641
179: ok 12642
179: ok 12643
179: ok 12644
179: ok 12645
179: ok 12646
179: ok 12647
179: ok 12648
179: ok 12649
179: ok 12650
179: ok 12651
179: ok 12652
179: ok 12653
179: ok 12654
179: ok 12655
179: ok 12656
179: ok 12657
179: ok 12658
179: ok 12659
179: ok 12660
179: ok 12661
179: ok 12662
179: ok 12663
179: ok 12664
179: ok 12665
179: ok 12666
179: ok 12667
179: ok 12668
179: ok 12669
179: ok 12670
179: ok 12671
179: ok 12672
179: ok 12673
179: ok 12674
179: ok 12675
179: ok 12676
179: ok 12677
179: ok 12678
179: ok 12679
179: ok 12680
179: ok 12681
179: ok 12682
179: ok 12683
179: ok 12684
179: ok 12685
179: ok 12686
179: ok 12687
179: ok 12688
179: ok 12689
179: ok 12690
179: ok 12691
179: ok 12692
179: ok 12693
179: ok 12694
179: ok 12695
179: ok 12696
179: ok 12697
179: ok 12698
179: ok 12699
179: ok 12700
179: ok 12701
179: ok 12702
179: ok 12703
179: ok 12704
179: ok 12705
179: ok 12706
179: ok 12707
179: ok 12708
179: ok 12709
179: ok 12710
179: ok 12711
179: ok 12712
179: ok 12713
179: ok 12714
179: ok 12715
179: ok 12716
179: ok 12717
179: ok 12718
179: ok 12719
179: ok 12720
179: ok 12721
179: ok 12722
179: ok 12723
179: ok 12724
179: ok 12725
179: ok 12726
179: ok 12727
179: ok 12728
179: ok 12729
179: ok 12730
179: ok 12731
179: ok 12732
179: ok 12733
179: ok 12734
179: ok 12735
179: ok 12736
179: ok 12737
179: ok 12738
179: ok 12739
179: ok 12740
179: ok 12741
179: ok 12742
179: ok 12743
179: ok 12744
179: ok 12745
179: ok 12746
179: ok 12747
179: ok 12748
179: ok 12749
179: ok 12750
179: ok 12751
179: ok 12752
179: ok 12753
179: ok 12754
179: ok 12755
179: ok 12756
179: ok 12757
179: ok 12758
179: ok 12759
179: ok 12760
179: ok 12761
179: ok 12762
179: ok 12763
179: ok 12764
179: ok 12765
179: ok 12766
179: ok 12767
179: ok 12768
179: ok 12769
179: ok 12770
179: ok 12771
179: ok 12772
179: ok 12773
179: ok 12774
179: ok 12775
179: ok 12776
179: ok 12777
179: ok 12778
179: ok 12779
179: ok 12780
179: ok 12781
179: ok 12782
179: ok 12783
179: ok 12784
179: ok 12785
179: ok 12786
179: ok 12787
179: ok 12788
179: ok 12789
179: ok 12790
179: ok 12791
179: ok 12792
179: ok 12793
179: ok 12794
179: ok 12795
179: ok 12796
179: ok 12797
179: ok 12798
179: ok 12799
179: ok 12800
179: ok 12801
179: ok 12802
179: ok 12803
179: ok 12804
179: ok 12805
179: ok 12806
179: ok 12807
179: ok 12808
179: ok 12809
179: ok 12810
179: ok 12811
179: ok 12812
179: ok 12813
179: ok 12814
179: ok 12815
179: ok 12816
179: ok 12817
179: ok 12818
179: ok 12819
179: ok 12820
179: ok 12821
179: ok 12822
179: ok 12823
179: ok 12824
179: ok 12825
179: ok 12826
179: ok 12827
179: ok 12828
179: ok 12829
179: ok 12830
179: ok 12831
179: ok 12832
179: ok 12833
179: ok 12834
179: ok 12835
179: ok 12836
179: ok 12837
179: ok 12838
179: ok 12839
179: ok 12840
179: ok 12841
179: ok 12842
179: ok 12843
179: ok 12844
179: ok 12845
179: ok 12846
179: ok 12847
179: ok 12848
179: ok 12849
179: ok 12850
179: ok 12851
179: ok 12852
179: ok 12853
179: ok 12854
179: ok 12855
179: ok 12856
179: ok 12857
179: ok 12858
179: ok 12859
179: ok 12860
179: ok 12861
179: ok 12862
179: ok 12863
179: ok 12864
179: ok 12865
179: ok 12866
179: ok 12867
179: ok 12868
179: ok 12869
179: ok 12870
179: ok 12871
179: ok 12872
179: ok 12873
179: ok 12874
179: ok 12875
179: ok 12876
179: ok 12877
179: ok 12878
179: ok 12879
179: ok 12880
179: ok 12881
179: ok 12882
179: ok 12883
179: ok 12884
179: ok 12885
179: ok 12886
179: ok 12887
179: ok 12888
179: ok 12889
179: ok 12890
179: ok 12891
179: ok 12892
179: ok 12893
179: ok 12894
179: ok 12895
179: ok 12896
179: ok 12897
179: ok 12898
179: ok 12899
179: ok 12900
179: ok 12901
179: ok 12902
179: ok 12903
179: ok 12904
179: ok 12905
179: ok 12906
179: ok 12907
179: ok 12908
179: ok 12909
179: ok 12910
179: ok 12911
179: ok 12912
179: ok 12913
179: ok 12914
179: ok 12915
179: ok 12916
179: ok 12917
179: ok 12918
179: ok 12919
179: ok 12920
179: ok 12921
179: ok 12922
179: ok 12923
179: ok 12924
179: ok 12925
179: ok 12926
179: ok 12927
179: ok 12928
179: ok 12929
179: ok 12930
179: ok 12931
179: ok 12932
179: ok 12933
179: ok 12934
179: ok 12935
179: ok 12936
179: ok 12937
179: ok 12938
179: ok 12939
179: ok 12940
179: ok 12941
179: ok 12942
179: ok 12943
179: ok 12944
179: ok 12945
179: ok 12946
179: ok 12947
179: ok 12948
179: ok 12949
179: ok 12950
179: ok 12951
179: ok 12952
179: ok 12953
179: ok 12954
179: ok 12955
179: ok 12956
179: ok 12957
179: ok 12958
179: ok 12959
179: ok 12960
179: ok 12961
179: ok 12962
179: ok 12963
179: ok 12964
179: ok 12965
179: ok 12966
179: ok 12967
179: ok 12968
179: ok 12969
179: ok 12970
179: ok 12971
179: ok 12972
179: ok 12973
179: ok 12974
179: ok 12975
179: ok 12976
179: ok 12977
179: ok 12978
179: ok 12979
179: ok 12980
179: ok 12981
179: ok 12982
179: ok 12983
179: ok 12984
179: ok 12985
179: ok 12986
179: ok 12987
179: ok 12988
179: ok 12989
179: ok 12990
179: ok 12991
179: ok 12992
179: ok 12993
179: ok 12994
179: ok 12995
179: ok 12996
179: ok 12997
179: ok 12998
179: ok 12999
179: ok 13000
179: ok 13001
179: ok 13002
179: ok 13003
179: ok 13004
179: ok 13005
179: ok 13006
179: ok 13007
179: ok 13008
179: ok 13009
179: ok 13010
179: ok 13011
179: ok 13012
179: ok 13013
179: ok 13014
179: ok 13015
179: ok 13016
179: ok 13017
179: ok 13018
179: ok 13019
179: ok 13020
179: ok 13021
179: ok 13022
179: ok 13023
179: ok 13024
179: ok 13025
179: ok 13026
179: ok 13027
179: ok 13028
179: ok 13029
179: ok 13030
179: ok 13031
179: ok 13032
179: ok 13033
179: ok 13034
179: ok 13035
179: ok 13036
179: ok 13037
179: ok 13038
179: ok 13039
179: ok 13040
179: ok 13041
179: ok 13042
179: ok 13043
179: ok 13044
179: ok 13045
179: ok 13046
179: ok 13047
179: ok 13048
179: ok 13049
179: ok 13050
179: ok 13051
179: ok 13052
179: ok 13053
179: ok 13054
179: ok 13055
179: ok 13056
179: ok 13057
179: ok 13058
179: ok 13059
179: ok 13060
179: ok 13061
179: ok 13062
179: ok 13063
179: ok 13064
179: ok 13065
179: ok 13066
179: ok 13067
179: ok 13068
179: ok 13069
179: ok 13070
179: ok 13071
179: ok 13072
179: ok 13073
179: ok 13074
179: ok 13075
179: ok 13076
179: ok 13077
179: ok 13078
179: ok 13079
179: ok 13080
179: ok 13081
179: ok 13082
179: ok 13083
179: ok 13084
179: ok 13085
179: ok 13086
179: ok 13087
179: ok 13088
179: ok 13089
179: ok 13090
179: ok 13091
179: ok 13092
179: ok 13093
179: ok 13094
179: ok 13095
179: ok 13096
179: ok 13097
179: ok 13098
179: ok 13099
179: ok 13100
179: ok 13101
179: ok 13102
179: ok 13103
179: ok 13104
179: ok 13105
179: ok 13106
179: ok 13107
179: ok 13108
179: ok 13109
179: ok 13110
179: ok 13111
179: ok 13112
179: ok 13113
179: ok 13114
179: ok 13115
179: ok 13116
179: ok 13117
179: ok 13118
179: ok 13119
179: ok 13120
179: ok 13121
179: ok 13122
179: ok 13123
179: ok 13124
179: ok 13125
179: ok 13126
179: ok 13127
179: ok 13128
179: ok 13129
179: ok 13130
179: ok 13131
179: ok 13132
179: ok 13133
179: ok 13134
179: ok 13135
179: ok 13136
179: ok 13137
179: ok 13138
179: ok 13139
179: ok 13140
179: ok 13141
179: ok 13142
179: ok 13143
179: ok 13144
179: ok 13145
179: ok 13146
179: ok 13147
179: ok 13148
179: ok 13149
179: ok 13150
179: ok 13151
179: ok 13152
179: ok 13153
179: ok 13154
179: ok 13155
179: ok 13156
179: ok 13157
179: ok 13158
179: ok 13159
179: ok 13160
179: ok 13161
179: ok 13162
179: ok 13163
179: ok 13164
179: ok 13165
179: ok 13166
179: ok 13167
179: ok 13168
179: ok 13169
179: ok 13170
179: ok 13171
179: ok 13172
179: ok 13173
179: ok 13174
179: ok 13175
179: ok 13176
179: ok 13177
179: ok 13178
179: ok 13179
179: ok 13180
179: ok 13181
179: ok 13182
179: ok 13183
179: ok 13184
179: ok 13185
179: ok 13186
179: ok 13187
179: ok 13188
179: ok 13189
179: ok 13190
179: ok 13191
179: ok 13192
179: ok 13193
179: ok 13194
179: ok 13195
179: ok 13196
179: ok 13197
179: ok 13198
179: ok 13199
179: ok 13200
179: ok 13201
179: ok 13202
179: ok 13203
179: ok 13204
179: ok 13205
179: ok 13206
179: ok 13207
179: ok 13208
179: ok 13209
179: ok 13210
179: ok 13211
179: ok 13212
179: ok 13213
179: ok 13214
179: ok 13215
179: ok 13216
179: ok 13217
179: ok 13218
179: ok 13219
179: ok 13220
179: ok 13221
179: ok 13222
179: ok 13223
179: ok 13224
179: ok 13225
179: ok 13226
179: ok 13227
179: ok 13228
179: ok 13229
179: ok 13230
179: ok 13231
179: ok 13232
179: ok 13233
179: ok 13234
179: ok 13235
179: ok 13236
179: ok 13237
179: ok 13238
179: ok 13239
179: ok 13240
179: ok 13241
179: ok 13242
179: ok 13243
179: ok 13244
179: ok 13245
179: ok 13246
179: ok 13247
179: ok 13248
179: ok 13249
179: ok 13250
179: ok 13251
179: ok 13252
179: ok 13253
179: ok 13254
179: ok 13255
179: ok 13256
179: ok 13257
179: ok 13258
179: ok 13259
179: ok 13260
179: ok 13261
179: ok 13262
179: ok 13263
179: ok 13264
179: ok 13265
179: ok 13266
179: ok 13267
179: ok 13268
179: ok 13269
179: ok 13270
179: ok 13271
179: ok 13272
179: ok 13273
179: ok 13274
179: ok 13275
179: ok 13276
179: ok 13277
179: ok 13278
179: ok 13279
179: ok 13280
179: ok 13281
179: ok 13282
179: ok 13283
179: ok 13284
179: ok 13285
179: ok 13286
179: ok 13287
179: ok 13288
179: ok 13289
179: ok 13290
179: ok 13291
179: ok 13292
179: ok 13293
179: ok 13294
179: ok 13295
179: ok 13296
179: ok 13297
179: ok 13298
179: ok 13299
179: ok 13300
179: ok 13301
179: ok 13302
179: ok 13303
179: ok 13304
179: ok 13305
179: ok 13306
179: ok 13307
179: ok 13308
179: ok 13309
179: ok 13310
179: ok 13311
179: ok 13312
179: ok 13313
179: ok 13314
179: ok 13315
179: ok 13316
179: ok 13317
179: ok 13318
179: ok 13319
179: ok 13320
179: ok 13321
179: ok 13322
179: ok 13323
179: ok 13324
179: ok 13325
179: ok 13326
179: ok 13327
179: ok 13328
179: ok 13329
179: ok 13330
179: ok 13331
179: ok 13332
179: ok 13333
179: ok 13334
179: ok 13335
179: ok 13336
179: ok 13337
179: ok 13338
179: ok 13339
179: ok 13340
179: ok 13341
179: ok 13342
179: ok 13343
179: ok 13344
179: ok 13345
179: ok 13346
179: ok 13347
179: ok 13348
179: ok 13349
179: ok 13350
179: ok 13351
179: ok 13352
179: ok 13353
179: ok 13354
179: ok 13355
179: ok 13356
179: ok 13357
179: ok 13358
179: ok 13359
179: ok 13360
179: ok 13361
179: ok 13362
179: ok 13363
179: ok 13364
179: ok 13365
179: ok 13366
179: ok 13367
179: ok 13368
179: ok 13369
179: ok 13370
179: ok 13371
179: ok 13372
179: ok 13373
179: ok 13374
179: ok 13375
179: ok 13376
179: ok 13377
179: ok 13378
179: ok 13379
179: ok 13380
179: ok 13381
179: ok 13382
179: ok 13383
179: ok 13384
179: ok 13385
179: ok 13386
179: ok 13387
179: ok 13388
179: ok 13389
179: ok 13390
179: ok 13391
179: ok 13392
179: ok 13393
179: ok 13394
179: ok 13395
179: ok 13396
179: ok 13397
179: ok 13398
179: ok 13399
179: ok 13400
179: ok 13401
179: ok 13402
179: ok 13403
179: ok 13404
179: ok 13405
179: ok 13406
179: ok 13407
179: ok 13408
179: ok 13409
179: ok 13410
179: ok 13411
179: ok 13412
179: ok 13413
179: ok 13414
179: ok 13415
179: ok 13416
179: ok 13417
179: ok 13418
179: ok 13419
179: ok 13420
179: ok 13421
179: ok 13422
179: ok 13423
179: ok 13424
179: ok 13425
179: ok 13426
179: ok 13427
179: ok 13428
179: ok 13429
179: ok 13430
179: ok 13431
179: ok 13432
179: ok 13433
179: ok 13434
179: ok 13435
179: ok 13436
179: ok 13437
179: ok 13438
179: ok 13439
179: ok 13440
179: ok 13441
179: ok 13442
179: ok 13443
179: ok 13444
179: ok 13445
179: ok 13446
179: ok 13447
179: ok 13448
179: ok 13449
179: ok 13450
179: ok 13451
179: ok 13452
179: ok 13453
179: ok 13454
179: ok 13455
179: ok 13456
179: ok 13457
179: ok 13458
179: ok 13459
179: ok 13460
179: ok 13461
179: ok 13462
179: ok 13463
179: ok 13464
179: ok 13465
179: ok 13466
179: ok 13467
179: ok 13468
179: ok 13469
179: ok 13470
179: ok 13471
179: ok 13472
179: ok 13473
179: ok 13474
179: ok 13475
179: ok 13476
179: ok 13477
179: ok 13478
179: ok 13479
179: ok 13480
179: ok 13481
179: ok 13482
179: ok 13483
179: ok 13484
179: ok 13485
179: ok 13486
179: ok 13487
179: ok 13488
179: ok 13489
179: ok 13490
179: ok 13491
179: ok 13492
179: ok 13493
179: ok 13494
179: ok 13495
179: ok 13496
179: ok 13497
179: ok 13498
179: ok 13499
179: ok 13500
179: ok 13501
179: ok 13502
179: ok 13503
179: ok 13504
179: ok 13505
179: ok 13506
179: ok 13507
179: ok 13508
179: ok 13509
179: ok 13510
179: ok 13511
179: ok 13512
179: ok 13513
179: ok 13514
179: ok 13515
179: ok 13516
179: ok 13517
179: ok 13518
179: ok 13519
179: ok 13520
179: ok 13521
179: ok 13522
179: ok 13523
179: ok 13524
179: ok 13525
179: ok 13526
179: ok 13527
179: ok 13528
179: ok 13529
179: ok 13530
179: ok 13531
179: ok 13532
179: ok 13533
179: ok 13534
179: ok 13535
179: ok 13536
179: ok 13537
179: ok 13538
179: ok 13539
179: ok 13540
179: ok 13541
179: ok 13542
179: ok 13543
179: ok 13544
179: ok 13545
179: ok 13546
179: ok 13547
179: ok 13548
179: ok 13549
179: ok 13550
179: ok 13551
179: ok 13552
179: ok 13553
179: ok 13554
179: ok 13555
179: ok 13556
179: ok 13557
179: ok 13558
179: ok 13559
179: ok 13560
179: ok 13561
179: ok 13562
179: ok 13563
179: ok 13564
179: ok 13565
179: ok 13566
179: ok 13567
179: ok 13568
179: ok 13569
179: ok 13570
179: ok 13571
179: ok 13572
179: ok 13573
179: ok 13574
179: ok 13575
179: ok 13576
179: ok 13577
179: ok 13578
179: ok 13579
179: ok 13580
179: ok 13581
179: ok 13582
179: ok 13583
179: ok 13584
179: ok 13585
179: ok 13586
179: ok 13587
179: ok 13588
179: ok 13589
179: ok 13590
179: ok 13591
179: ok 13592
179: ok 13593
179: ok 13594
179: ok 13595
179: ok 13596
179: ok 13597
179: ok 13598
179: ok 13599
179: ok 13600
179: ok 13601
179: ok 13602
179: ok 13603
179: ok 13604
179: ok 13605
179: ok 13606
179: ok 13607
179: ok 13608
179: ok 13609
179: ok 13610
179: ok 13611
179: ok 13612
179: ok 13613
179: ok 13614
179: ok 13615
179: ok 13616
179: ok 13617
179: ok 13618
179: ok 13619
179: ok 13620
179: ok 13621
179: ok 13622
179: ok 13623
179: ok 13624
179: ok 13625
179: ok 13626
179: ok 13627
179: ok 13628
179: ok 13629
179: ok 13630
179: ok 13631
179: ok 13632
179: ok 13633
179: ok 13634
179: ok 13635
179: ok 13636
179: ok 13637
179: ok 13638
179: ok 13639
179: ok 13640
179: ok 13641
179: ok 13642
179: ok 13643
179: ok 13644
179: ok 13645
179: ok 13646
179: ok 13647
179: ok 13648
179: ok 13649
179: ok 13650
179: ok 13651
179: ok 13652
179: ok 13653
179: ok 13654
179: ok 13655
179: ok 13656
179: ok 13657
179: ok 13658
179: ok 13659
179: ok 13660
179: ok 13661
179: ok 13662
179: ok 13663
179: ok 13664
179: ok 13665
179: ok 13666
179: ok 13667
179: ok 13668
179: ok 13669
179: ok 13670
179: ok 13671
179: ok 13672
179: ok 13673
179: ok 13674
179: ok 13675
179: ok 13676
179: ok 13677
179: ok 13678
179: ok 13679
179: ok 13680
179: ok 13681
179: ok 13682
179: ok 13683
179: ok 13684
179: ok 13685
179: ok 13686
179: ok 13687
179: ok 13688
179: ok 13689
179: ok 13690
179: ok 13691
179: ok 13692
179: ok 13693
179: ok 13694
179: ok 13695
179: ok 13696
179: ok 13697
179: ok 13698
179: ok 13699
179: ok 13700
179: ok 13701
179: ok 13702
179: ok 13703
179: ok 13704
179: ok 13705
179: ok 13706
179: ok 13707
179: ok 13708
179: ok 13709
179: ok 13710
179: ok 13711
179: ok 13712
179: ok 13713
179: ok 13714
179: ok 13715
179: ok 13716
179: ok 13717
179: ok 13718
179: ok 13719
179: ok 13720
179: ok 13721
179: ok 13722
179: ok 13723
179: ok 13724
179: ok 13725
179: ok 13726
179: ok 13727
179: ok 13728
179: ok 13729
179: ok 13730
179: ok 13731
179: ok 13732
179: ok 13733
179: ok 13734
179: ok 13735
179: ok 13736
179: ok 13737
179: ok 13738
179: ok 13739
179: ok 13740
179: ok 13741
179: ok 13742
179: ok 13743
179: ok 13744
179: ok 13745
179: ok 13746
179: ok 13747
179: ok 13748
179: ok 13749
179: ok 13750
179: ok 13751
179: ok 13752
179: ok 13753
179: ok 13754
179: ok 13755
179: ok 13756
179: ok 13757
179: ok 13758
179: ok 13759
179: ok 13760
179: ok 13761
179: ok 13762
179: ok 13763
179: ok 13764
179: ok 13765
179: ok 13766
179: ok 13767
179: ok 13768
179: ok 13769
179: ok 13770
179: ok 13771
179: ok 13772
179: ok 13773
179: ok 13774
179: ok 13775
179: ok 13776
179: ok 13777
179: ok 13778
179: ok 13779
179: ok 13780
179: ok 13781
179: ok 13782
179: ok 13783
179: ok 13784
179: ok 13785
179: ok 13786
179: ok 13787
179: ok 13788
179: ok 13789
179: ok 13790
179: ok 13791
179: ok 13792
179: ok 13793
179: ok 13794
179: ok 13795
179: ok 13796
179: ok 13797
179: ok 13798
179: ok 13799
179: ok 13800
179: ok 13801
179: ok 13802
179: ok 13803
179: ok 13804
179: ok 13805
179: ok 13806
179: ok 13807
179: ok 13808
179: ok 13809
179: ok 13810
179: ok 13811
179: ok 13812
179: ok 13813
179: ok 13814
179: ok 13815
179: ok 13816
179: ok 13817
179: ok 13818
179: ok 13819
179: ok 13820
179: ok 13821
179: ok 13822
179: ok 13823
179: ok 13824
179: ok 13825
179: ok 13826
179: ok 13827
179: ok 13828
179: ok 13829
179: ok 13830
179: ok 13831
179: ok 13832
179: ok 13833
179: ok 13834
179: ok 13835
179: ok 13836
179: ok 13837
179: ok 13838
179: ok 13839
179: ok 13840
179: ok 13841
179: ok 13842
179: ok 13843
179: ok 13844
179: ok 13845
179: ok 13846
179: ok 13847
179: ok 13848
179: ok 13849
179: ok 13850
179: ok 13851
179: ok 13852
179: ok 13853
179: ok 13854
179: ok 13855
179: ok 13856
179: ok 13857
179: ok 13858
179: ok 13859
179: ok 13860
179: ok 13861
179: ok 13862
179: ok 13863
179: ok 13864
179: ok 13865
179: ok 13866
179: ok 13867
179: ok 13868
179: ok 13869
179: ok 13870
179: ok 13871
179: ok 13872
179: ok 13873
179: ok 13874
179: ok 13875
179: ok 13876
179: ok 13877
179: ok 13878
179: ok 13879
179: ok 13880
179: ok 13881
179: ok 13882
179: ok 13883
179: ok 13884
179: ok 13885
179: ok 13886
179: ok 13887
179: ok 13888
179: ok 13889
179: ok 13890
179: ok 13891
179: ok 13892
179: ok 13893
179: ok 13894
179: ok 13895
179: ok 13896
179: ok 13897
179: ok 13898
179: ok 13899
179: ok 13900
179: ok 13901
179: ok 13902
179: ok 13903
179: ok 13904
179: ok 13905
179: ok 13906
179: ok 13907
179: ok 13908
179: ok 13909
179: ok 13910
179: ok 13911
179: ok 13912
179: ok 13913
179: ok 13914
179: ok 13915
179: ok 13916
179: ok 13917
179: ok 13918
179: ok 13919
179: ok 13920
179: ok 13921
179: ok 13922
179: ok 13923
179: ok 13924
179: ok 13925
179: ok 13926
179: ok 13927
179: ok 13928
179: ok 13929
179: ok 13930
179: ok 13931
179: ok 13932
179: ok 13933
179: ok 13934
179: ok 13935
179: ok 13936
179: ok 13937
179: ok 13938
179: ok 13939
179: ok 13940
179: ok 13941
179: ok 13942
179: ok 13943
179: ok 13944
179: ok 13945
179: ok 13946
179: ok 13947
179: ok 13948
179: ok 13949
179: ok 13950
179: ok 13951
179: ok 13952
179: ok 13953
179: ok 13954
179: ok 13955
179: ok 13956
179: ok 13957
179: ok 13958
179: ok 13959
179: ok 13960
179: ok 13961
179: ok 13962
179: ok 13963
179: ok 13964
179: ok 13965
179: ok 13966
179: ok 13967
179: ok 13968
179: ok 13969
179: ok 13970
179: ok 13971
179: ok 13972
179: ok 13973
179: ok 13974
179: ok 13975
179: ok 13976
179: ok 13977
179: ok 13978
179: ok 13979
179: ok 13980
179: ok 13981
179: ok 13982
179: ok 13983
179: ok 13984
179: ok 13985
179: ok 13986
179: ok 13987
179: ok 13988
179: ok 13989
179: ok 13990
179: ok 13991
179: ok 13992
179: ok 13993
179: ok 13994
179: ok 13995
179: ok 13996
179: ok 13997
179: ok 13998
179: ok 13999
179: ok 14000
179: ok 14001
179: ok 14002
179: ok 14003
179: ok 14004
179: ok 14005
179: ok 14006
179: ok 14007
179: ok 14008
179: ok 14009
179: ok 14010
179: ok 14011
179: ok 14012
179: ok 14013
179: ok 14014
179: ok 14015
179: ok 14016
179: ok 14017
179: ok 14018
179: ok 14019
179: ok 14020
179: ok 14021
179: ok 14022
179: ok 14023
179: ok 14024
179: ok 14025
179: ok 14026
179: ok 14027
179: ok 14028
179: ok 14029
179: ok 14030
179: ok 14031
179: ok 14032
179: ok 14033
179: ok 14034
179: ok 14035
179: ok 14036
179: ok 14037
179: ok 14038
179: ok 14039
179: ok 14040
179: ok 14041
179: ok 14042
179: ok 14043
179: ok 14044
179: ok 14045
179: ok 14046
179: ok 14047
179: ok 14048
179: ok 14049
179: ok 14050
179: ok 14051
179: ok 14052
179: ok 14053
179: ok 14054
179: ok 14055
179: ok 14056
179: ok 14057
179: ok 14058
179: ok 14059
179: ok 14060
179: ok 14061
179: ok 14062
179: ok 14063
179: ok 14064
179: ok 14065
179: ok 14066
179: ok 14067
179: ok 14068
179: ok 14069
179: ok 14070
179: ok 14071
179: ok 14072
179: ok 14073
179: ok 14074
179: ok 14075
179: ok 14076
179: ok 14077
179: ok 14078
179: ok 14079
179: ok 14080
179: ok 14081
179: ok 14082
179: ok 14083
179: ok 14084
179: ok 14085
179: ok 14086
179: ok 14087
179: ok 14088
179: ok 14089
179: ok 14090
179: ok 14091
179: ok 14092
179: ok 14093
179: ok 14094
179: ok 14095
179: ok 14096
179: ok 14097
179: ok 14098
179: ok 14099
179: ok 14100
179: ok 14101
179: ok 14102
179: ok 14103
179: ok 14104
179: ok 14105
179: ok 14106
179: ok 14107
179: ok 14108
179: ok 14109
179: ok 14110
179: ok 14111
179: ok 14112
179: ok 14113
179: ok 14114
179: ok 14115
179: ok 14116
179: ok 14117
179: ok 14118
179: ok 14119
179: ok 14120
179: ok 14121
179: ok 14122
179: ok 14123
179: ok 14124
179: ok 14125
179: ok 14126
179: ok 14127
179: ok 14128
179: ok 14129
179: ok 14130
179: ok 14131
179: ok 14132
179: ok 14133
179: ok 14134
179: ok 14135
179: ok 14136
179: ok 14137
179: ok 14138
179: ok 14139
179: ok 14140
179: ok 14141
179: ok 14142
179: ok 14143
179: ok 14144
179: ok 14145
179: ok 14146
179: ok 14147
179: ok 14148
179: ok 14149
179: ok 14150
179: ok 14151
179: ok 14152
179: ok 14153
179: ok 14154
179: ok 14155
179: ok 14156
179: ok 14157
179: ok 14158
179: ok 14159
179: ok 14160
179: ok 14161
179: ok 14162
179: ok 14163
179: ok 14164
179: ok 14165
179: ok 14166
179: ok 14167
179: ok 14168
179: ok 14169
179: ok 14170
179: ok 14171
179: ok 14172
179: ok 14173
179: ok 14174
179: ok 14175
179: ok 14176
179: ok 14177
179: ok 14178
179: ok 14179
179: ok 14180
179: ok 14181
179: ok 14182
179: ok 14183
179: ok 14184
179: ok 14185
179: ok 14186
179: ok 14187
179: ok 14188
179: ok 14189
179: ok 14190
179: ok 14191
179: ok 14192
179: ok 14193
179: ok 14194
179: ok 14195
179: ok 14196
179: ok 14197
179: ok 14198
179: ok 14199
179: ok 14200
179: ok 14201
179: ok 14202
179: ok 14203
179: ok 14204
179: ok 14205
179: ok 14206
179: ok 14207
179: ok 14208
179: ok 14209
179: ok 14210
179: ok 14211
179: ok 14212
179: ok 14213
179: ok 14214
179: ok 14215
179: ok 14216
179: ok 14217
179: ok 14218
179: ok 14219
179: ok 14220
179: ok 14221
179: ok 14222
179: ok 14223
179: ok 14224
179: ok 14225
179: ok 14226
179: ok 14227
179: ok 14228
179: ok 14229
179: ok 14230
179: ok 14231
179: ok 14232
179: ok 14233
179: ok 14234
179: ok 14235
179: ok 14236
179: ok 14237
179: ok 14238
179: ok 14239
179: ok 14240
179: ok 14241
179: ok 14242
179: ok 14243
179: ok 14244
179: ok 14245
179: ok 14246
179: ok 14247
179: ok 14248
179: ok 14249
179: ok 14250
179: ok 14251
179: ok 14252
179: ok 14253
179: ok 14254
179: ok 14255
179: ok 14256
179: ok 14257
179: ok 14258
179: ok 14259
179: ok 14260
179: ok 14261
179: ok 14262
179: ok 14263
179: ok 14264
179: ok 14265
179: ok 14266
179: ok 14267
179: ok 14268
179: ok 14269
179: ok 14270
179: ok 14271
179: ok 14272
179: ok 14273
179: ok 14274
179: ok 14275
179: ok 14276
179: ok 14277
179: ok 14278
179: ok 14279
179: ok 14280
179: ok 14281
179: ok 14282
179: ok 14283
179: ok 14284
179: ok 14285
179: ok 14286
179: ok 14287
179: ok 14288
179: ok 14289
179: ok 14290
179: ok 14291
179: ok 14292
179: ok 14293
179: ok 14294
179: ok 14295
179: ok 14296
179: ok 14297
179: ok 14298
179: ok 14299
179: ok 14300
179: ok 14301
179: ok 14302
179: ok 14303
179: ok 14304
179: ok 14305
179: ok 14306
179: ok 14307
179: ok 14308
179: ok 14309
179: ok 14310
179: ok 14311
179: ok 14312
179: ok 14313
179: ok 14314
179: ok 14315
179: ok 14316
179: ok 14317
179: ok 14318
179: ok 14319
179: ok 14320
179: ok 14321
179: ok 14322
179: ok 14323
179: ok 14324
179: ok 14325
179: ok 14326
179: ok 14327
179: ok 14328
179: ok 14329
179: ok 14330
179: ok 14331
179: ok 14332
179: ok 14333
179: ok 14334
179: ok 14335
179: ok 14336
179: ok 14337
179: ok 14338
179: ok 14339
179: ok 14340
179: ok 14341
179: ok 14342
179: ok 14343
179: ok 14344
179: ok 14345
179: ok 14346
179: ok 14347
179: ok 14348
179: ok 14349
179: ok 14350
179: ok 14351
179: ok 14352
179: ok 14353
179: ok 14354
179: ok 14355
179: ok 14356
179: ok 14357
179: ok 14358
179: ok 14359
179: ok 14360
179: ok 14361
179: ok 14362
179: ok 14363
179: ok 14364
179: ok 14365
179: ok 14366
179: ok 14367
179: ok 14368
179: ok 14369
179: ok 14370
179: ok 14371
179: ok 14372
179: ok 14373
179: ok 14374
179: ok 14375
179: ok 14376
179: ok 14377
179: ok 14378
179: ok 14379
179: ok 14380
179: ok 14381
179: ok 14382
179: ok 14383
179: ok 14384
179: ok 14385
179: ok 14386
179: ok 14387
179: ok 14388
179: ok 14389
179: ok 14390
179: ok 14391
179: ok 14392
179: ok 14393
179: ok 14394
179: ok 14395
179: ok 14396
179: ok 14397
179: ok 14398
179: ok 14399
179: ok 14400
179: ok 14401
179: ok 14402
179: ok 14403
179: ok 14404
179: ok 14405
179: ok 14406
179: ok 14407
179: ok 14408
179: ok 14409
179: ok 14410
179: ok 14411
179: ok 14412
179: ok 14413
179: ok 14414
179: ok 14415
179: ok 14416
179: ok 14417
179: ok 14418
179: ok 14419
179: ok 14420
179: ok 14421
179: ok 14422
179: ok 14423
179: ok 14424
179: ok 14425
179: ok 14426
179: ok 14427
179: ok 14428
179: ok 14429
179: ok 14430
179: ok 14431
179: ok 14432
179: ok 14433
179: ok 14434
179: ok 14435
179: ok 14436
179: ok 14437
179: ok 14438
179: ok 14439
179: ok 14440
179: ok 14441
179: ok 14442
179: ok 14443
179: ok 14444
179: ok 14445
179: ok 14446
179: ok 14447
179: ok 14448
179: ok 14449
179: ok 14450
179: ok 14451
179: ok 14452
179: ok 14453
179: ok 14454
179: ok 14455
179: ok 14456
179: ok 14457
179: ok 14458
179: ok 14459
179: ok 14460
179: ok 14461
179: ok 14462
179: ok 14463
179: ok 14464
179: ok 14465
179: ok 14466
179: ok 14467
179: ok 14468
179: ok 14469
179: ok 14470
179: ok 14471
179: ok 14472
179: ok 14473
179: ok 14474
179: ok 14475
179: ok 14476
179: ok 14477
179: ok 14478
179: ok 14479
179: ok 14480
179: ok 14481
179: ok 14482
179: ok 14483
179: ok 14484
179: ok 14485
179: ok 14486
179: ok 14487
179: ok 14488
179: ok 14489
179: ok 14490
179: ok 14491
179: ok 14492
179: ok 14493
179: ok 14494
179: ok 14495
179: ok 14496
179: ok 14497
179: ok 14498
179: ok 14499
179: ok 14500
179: ok 14501
179: ok 14502
179: ok 14503
179: ok 14504
179: ok 14505
179: ok 14506
179: ok 14507
179: ok 14508
179: ok 14509
179: ok 14510
179: ok 14511
179: ok 14512
179: ok 14513
179: ok 14514
179: ok 14515
179: ok 14516
179: ok 14517
179: ok 14518
179: ok 14519
179: ok 14520
179: ok 14521
179: ok 14522
179: ok 14523
179: ok 14524
179: ok 14525
179: ok 14526
179: ok 14527
179: ok 14528
179: ok 14529
179: ok 14530
179: ok 14531
179: ok 14532
179: ok 14533
179: ok 14534
179: ok 14535
179: ok 14536
179: ok 14537
179: ok 14538
179: ok 14539
179: ok 14540
179: ok 14541
179: ok 14542
179: ok 14543
179: ok 14544
179: ok 14545
179: ok 14546
179: ok 14547
179: ok 14548
179: ok 14549
179: ok 14550
179: ok 14551
179: ok 14552
179: ok 14553
179: ok 14554
179: ok 14555
179: ok 14556
179: ok 14557
179: ok 14558
179: ok 14559
179: ok 14560
179: ok 14561
179: ok 14562
179: ok 14563
179: ok 14564
179: ok 14565
179: ok 14566
179: ok 14567
179: ok 14568
179: ok 14569
179: ok 14570
179: ok 14571
179: ok 14572
179: ok 14573
179: ok 14574
179: ok 14575
179: ok 14576
179: ok 14577
179: ok 14578
179: ok 14579
179: ok 14580
179: ok 14581
179: ok 14582
179: ok 14583
179: ok 14584
179: ok 14585
179: ok 14586
179: ok 14587
179: ok 14588
179: ok 14589
179: ok 14590
179: ok 14591
179: ok 14592
179: ok 14593
179: ok 14594
179: ok 14595
179: ok 14596
179: ok 14597
179: ok 14598
179: ok 14599
179: ok 14600
179: ok 14601
179: ok 14602
179: ok 14603
179: ok 14604
179: ok 14605
179: ok 14606
179: ok 14607
179: ok 14608
179: ok 14609
179: ok 14610
179: ok 14611
179: ok 14612
179: ok 14613
179: ok 14614
179: ok 14615
179: ok 14616
179: ok 14617
179: ok 14618
179: ok 14619
179: ok 14620
179: ok 14621
179: ok 14622
179: ok 14623
179: ok 14624
179: ok 14625
179: ok 14626
179: ok 14627
179: ok 14628
179: ok 14629
179: ok 14630
179: ok 14631
179: ok 14632
179: ok 14633
179: ok 14634
179: ok 14635
179: ok 14636
179: ok 14637
179: ok 14638
179: ok 14639
179: ok 14640
179: ok 14641
179: ok 14642
179: ok 14643
179: ok 14644
179: ok 14645
179: ok 14646
179: ok 14647
179: ok 14648
179: ok 14649
179: ok 14650
179: ok 14651
179: ok 14652
179: ok 14653
179: ok 14654
179: ok 14655
179: ok 14656
179: ok 14657
179: ok 14658
179: ok 14659
179: ok 14660
179: ok 14661
179: ok 14662
179: ok 14663
179: ok 14664
179: ok 14665
179: ok 14666
179: ok 14667
179: ok 14668
179: ok 14669
179: ok 14670
179: ok 14671
179: ok 14672
179: ok 14673
179: ok 14674
179: ok 14675
179: ok 14676
179: ok 14677
179: ok 14678
179: ok 14679
179: ok 14680
179: ok 14681
179: ok 14682
179: ok 14683
179: ok 14684
179: ok 14685
179: ok 14686
179: ok 14687
179: ok 14688
179: ok 14689
179: ok 14690
179: ok 14691
179: ok 14692
179: ok 14693
179: ok 14694
179: ok 14695
179: ok 14696
179: ok 14697
179: ok 14698
179: ok 14699
179: ok 14700
179: ok 14701
179: ok 14702
179: ok 14703
179: ok 14704
179: ok 14705
179: ok 14706
179: ok 14707
179: ok 14708
179: ok 14709
179: ok 14710
179: ok 14711
179: ok 14712
179: ok 14713
179: ok 14714
179: ok 14715
179: ok 14716
179: ok 14717
179: ok 14718
179: ok 14719
179: ok 14720
179: ok 14721
179: ok 14722
179: ok 14723
179: ok 14724
179: ok 14725
179: ok 14726
179: ok 14727
179: ok 14728
179: ok 14729
179: ok 14730
179: ok 14731
179: ok 14732
179: ok 14733
179: ok 14734
179: ok 14735
179: ok 14736
179: ok 14737
179: ok 14738
179: ok 14739
179: ok 14740
179: ok 14741
179: ok 14742
179: ok 14743
179: ok 14744
179: ok 14745
179: ok 14746
179: ok 14747
179: ok 14748
179: ok 14749
179: ok 14750
179: ok 14751
179: ok 14752
179: ok 14753
179: ok 14754
179: ok 14755
179: ok 14756
179: ok 14757
179: ok 14758
179: ok 14759
179: ok 14760
179: ok 14761
179: ok 14762
179: ok 14763
179: ok 14764
179: ok 14765
179: ok 14766
179: ok 14767
179: ok 14768
179: ok 14769
179: ok 14770
179: ok 14771
179: ok 14772
179: ok 14773
179: ok 14774
179: ok 14775
179: ok 14776
179: ok 14777
179: ok 14778
179: ok 14779
179: ok 14780
179: ok 14781
179: ok 14782
179: ok 14783
179: ok 14784
179: ok 14785
179: ok 14786
179: ok 14787
179: ok 14788
179: ok 14789
179: ok 14790
179: ok 14791
179: ok 14792
179: ok 14793
179: ok 14794
179: ok 14795
179: ok 14796
179: ok 14797
179: ok 14798
179: ok 14799
179: ok 14800
179: ok 14801
179: ok 14802
179: ok 14803
179: ok 14804
179: ok 14805
179: ok 14806
179: ok 14807
179: ok 14808
179: ok 14809
179: ok 14810
179: ok 14811
179: ok 14812
179: ok 14813
179: ok 14814
179: ok 14815
179: ok 14816
179: ok 14817
179: ok 14818
179: ok 14819
179: ok 14820
179: ok 14821
179: ok 14822
179: ok 14823
179: ok 14824
179: ok 14825
179: ok 14826
179: ok 14827
179: ok 14828
179: ok 14829
179: ok 14830
179: ok 14831
179: ok 14832
179: ok 14833
179: ok 14834
179: ok 14835
179: ok 14836
179: ok 14837
179: ok 14838
179: ok 14839
179: ok 14840
179: ok 14841
179: ok 14842
179: ok 14843
179: ok 14844
179: ok 14845
179: ok 14846
179: ok 14847
179: ok 14848
179: ok 14849
179: ok 14850
179: ok 14851
179: ok 14852
179: ok 14853
179: ok 14854
179: ok 14855
179: ok 14856
179: ok 14857
179: ok 14858
179: ok 14859
179: ok 14860
179: ok 14861
179: ok 14862
179: ok 14863
179: ok 14864
179: ok 14865
179: ok 14866
179: ok 14867
179: ok 14868
179: ok 14869
179: ok 14870
179: ok 14871
179: ok 14872
179: ok 14873
179: ok 14874
179: ok 14875
179: ok 14876
179: ok 14877
179: ok 14878
179: ok 14879
179: ok 14880
179: ok 14881
179: ok 14882
179: ok 14883
179: ok 14884
179: ok 14885
179: ok 14886
179: ok 14887
179: ok 14888
179: ok 14889
179: ok 14890
179: ok 14891
179: ok 14892
179: ok 14893
179: ok 14894
179: ok 14895
179: ok 14896
179: ok 14897
179: ok 14898
179: ok 14899
179: ok 14900
179: ok 14901
179: ok 14902
179: ok 14903
179: ok 14904
179: ok 14905
179: ok 14906
179: ok 14907
179: ok 14908
179: ok 14909
179: ok 14910
179: ok 14911
179: ok 14912
179: ok 14913
179: ok 14914
179: ok 14915
179: ok 14916
179: ok 14917
179: ok 14918
179: ok 14919
179: ok 14920
179: ok 14921
179: ok 14922
179: ok 14923
179: ok 14924
179: ok 14925
179: ok 14926
179: ok 14927
179: ok 14928
179: ok 14929
179: ok 14930
179: ok 14931
179: ok 14932
179: ok 14933
179: ok 14934
179: ok 14935
179: ok 14936
179: ok 14937
179: ok 14938
179: ok 14939
179: ok 14940
179: ok 14941
179: ok 14942
179: ok 14943
179: ok 14944
179: ok 14945
179: ok 14946
179: ok 14947
179: ok 14948
179: ok 14949
179: ok 14950
179: ok 14951
179: ok 14952
179: ok 14953
179: ok 14954
179: ok 14955
179: ok 14956
179: ok 14957
179: ok 14958
179: ok 14959
179: ok 14960
179: ok 14961
179: ok 14962
179: ok 14963
179: ok 14964
179: ok 14965
179: ok 14966
179: ok 14967
179: ok 14968
179: ok 14969
179: ok 14970
179: ok 14971
179: ok 14972
179: ok 14973
179: ok 14974
179: ok 14975
179: ok 14976
179: ok 14977
179: ok 14978
179: ok 14979
179: ok 14980
179: ok 14981
179: ok 14982
179: ok 14983
179: ok 14984
179: ok 14985
179: ok 14986
179: ok 14987
179: ok 14988
179: ok 14989
179: ok 14990
179: ok 14991
179: ok 14992
179: ok 14993
179: ok 14994
179: ok 14995
179: ok 14996
179: ok 14997
179: ok 14998
179: ok 14999
179: ok 15000
179: # math: passed testBasics_vector3
179: # math: entering testBasics_matrix3x3
180: ok 7819
180: ok 7820
180: ok 7821
180: ok 7822
180: ok 7823
180: ok 7824
180: ok 7825
180: ok 7826
180: ok 7827
180: ok 7828
180: ok 7829
180: ok 7830
180: ok 7831
180: ok 7832
180: ok 7833
180: ok 7834
180: ok 7835
180: ok 7836
180: ok 7837
180: ok 7838
180: ok 7839
180: ok 7840
180: ok 7841
180: ok 7842
180: ok 7843
180: ok 7844
180: ok 7845
180: ok 7846
180: ok 7847
180: ok 7848
180: ok 7849
180: ok 7850
180: ok 7851
180: ok 7852
180: ok 7853
180: ok 7854
180: ok 7855
180: ok 7856
180: ok 7857
180: ok 7858
180: ok 7859
180: ok 7860
180: ok 7861
180: ok 7862
180: ok 7863
180: ok 7864
180: ok 7865
180: ok 7866
180: ok 7867
180: ok 7868
180: ok 7869
180: ok 7870
180: ok 7871
180: ok 7872
180: ok 7873
180: ok 7874
180: ok 7875
180: ok 7876
180: ok 7877
180: ok 7878
180: ok 7879
180: ok 7880
180: ok 7881
180: ok 7882
180: ok 7883
180: ok 7884
180: ok 7885
180: ok 7886
180: ok 7887
180: ok 7888
180: ok 7889
180: ok 7890
180: ok 7891
180: ok 7892
180: ok 7893
180: ok 7894
180: ok 7895
180: ok 7896
180: ok 7897
180: ok 7898
180: ok 7899
180: ok 7900
180: ok 7901
180: ok 7902
180: ok 7903
180: ok 7904
180: ok 7905
180: ok 7906
180: ok 7907
180: ok 7908
180: ok 7909
180: ok 7910
180: ok 7911
180: ok 7912
180: ok 7913
180: ok 7914
180: ok 7915
180: ok 7916
180: ok 7917
180: ok 7918
180: ok 7919
180: ok 7920
180: ok 7921
180: ok 7922
180: ok 7923
180: ok 7924
180: ok 7925
180: ok 7926
180: ok 7927
180: ok 7928
180: ok 7929
180: ok 7930
180: ok 7931
180: ok 7932
180: ok 7933
180: ok 7934
180: ok 7935
180: ok 7936
180: ok 7937
180: ok 7938
180: ok 7939
180: ok 7940
180: ok 7941
180: ok 7942
180: ok 7943
180: ok 7944
180: ok 7945
180: ok 7946
180: ok 7947
180: ok 7948
180: ok 7949
180: ok 7950
180: ok 7951
180: ok 7952
180: ok 7953
180: ok 7954
180: ok 7955
180: ok 7956
180: ok 7957
180: ok 7958
180: ok 7959
180: ok 7960
180: ok 7961
180: ok 7962
180: ok 7963
180: ok 7964
180: ok 7965
180: ok 7966
180: ok 7967
180: ok 7968
180: ok 7969
180: ok 7970
180: ok 7971
180: ok 7972
180: ok 7973
180: ok 7974
180: ok 7975
180: ok 7976
180: ok 7977
180: ok 7978
180: ok 7979
180: ok 7980
180: ok 7981
180: ok 7982
180: ok 7983
180: ok 7984
180: ok 7985
180: ok 7986
180: ok 7987
180: ok 7988
180: ok 7989
180: ok 7990
180: ok 7991
180: ok 7992
180: ok 7993
180: ok 7994
180: ok 7995
180: ok 7996
180: ok 7997
180: ok 7998
180: ok 7999
180: ok 8000
180: ok 8001
180: ok 8002
180: ok 8003
180: ok 8004
180: ok 8005
180: ok 8006
180: ok 8007
180: ok 8008
180: ok 8009
180: ok 8010
180: ok 8011
180: ok 8012
180: ok 8013
180: ok 8014
180: ok 8015
180: ok 8016
180: ok 8017
180: ok 8018
180: ok 8019
180: ok 8020
180: ok 8021
180: ok 8022
180: ok 8023
180: ok 8024
180: ok 8025
180: ok 8026
180: ok 8027
180: ok 8028
180: ok 8029
180: ok 8030
180: ok 8031
180: ok 8032
180: ok 8033
180: ok 8034
180: ok 8035
180: ok 8036
180: ok 8037
180: ok 8038
180: ok 8039
180: ok 8040
180: ok 8041
180: ok 8042
180: ok 8043
180: ok 8044
180: ok 8045
180: ok 8046
180: ok 8047
180: ok 8048
180: ok 8049
180: ok 8050
180: ok 8051
180: ok 8052
180: ok 8053
180: ok 8054
180: ok 8055
180: ok 8056
180: ok 8057
180: ok 8058
180: ok 8059
180: ok 8060
180: ok 8061
180: ok 8062
180: ok 8063
180: ok 8064
180: ok 8065
180: ok 8066
180: ok 8067
180: ok 8068
180: ok 8069
180: ok 8070
180: ok 8071
180: ok 8072
180: ok 8073
180: ok 8074
180: ok 8075
180: ok 8076
180: ok 8077
180: ok 8078
180: ok 8079
180: ok 8080
180: ok 8081
180: ok 8082
180: ok 8083
180: ok 8084
180: ok 8085
180: ok 8086
180: ok 8087
180: ok 8088
180: ok 8089
180: ok 8090
180: ok 8091
180: ok 8092
180: ok 8093
180: ok 8094
180: ok 8095
180: ok 8096
180: ok 8097
180: ok 8098
180: ok 8099
180: ok 8100
180: ok 8101
180: ok 8102
180: ok 8103
180: ok 8104
180: ok 8105
180: ok 8106
180: ok 8107
180: ok 8108
180: ok 8109
180: ok 8110
180: ok 8111
180: ok 8112
180: ok 8113
180: ok 8114
180: ok 8115
180: ok 8116
180: ok 8117
180: ok 8118
180: ok 8119
180: ok 8120
180: ok 8121
180: ok 8122
180: ok 8123
180: ok 8124
180: ok 8125
180: ok 8126
180: ok 8127
180: ok 8128
180: ok 8129
180: ok 8130
180: ok 8131
180: ok 8132
180: ok 8133
180: ok 8134
180: ok 8135
180: ok 8136
180: ok 8137
180: ok 8138
180: ok 8139
180: ok 8140
180: ok 8141
180: ok 8142
180: ok 8143
180: ok 8144
180: ok 8145
180: ok 8146
180: ok 8147
180: ok 8148
180: ok 8149
180: ok 8150
180: ok 8151
180: ok 8152
180: ok 8153
180: ok 8154
180: ok 8155
180: ok 8156
180: ok 8157
180: ok 8158
180: ok 8159
180: ok 8160
180: ok 8161
180: ok 8162
180: ok 8163
180: ok 8164
180: ok 8165
180: ok 8166
180: ok 8167
180: ok 8168
180: ok 8169
180: ok 8170
180: ok 8171
180: ok 8172
180: ok 8173
180: ok 8174
180: ok 8175
180: ok 8176
180: ok 8177
180: ok 8178
180: ok 8179
180: ok 8180
180: ok 8181
180: ok 8182
180: ok 8183
180: ok 8184
180: ok 8185
180: ok 8186
180: ok 8187
180: ok 8188
180: ok 8189
180: ok 8190
180: ok 8191
180: ok 8192
180: ok 8193
180: ok 8194
180: ok 8195
180: ok 8196
180: ok 8197
180: ok 8198
180: ok 8199
180: ok 8200
180: ok 8201
180: ok 8202
180: ok 8203
180: ok 8204
180: ok 8205
180: ok 8206
180: ok 8207
180: ok 8208
180: ok 8209
180: ok 8210
180: ok 8211
180: ok 8212
180: ok 8213
180: ok 8214
180: ok 8215
180: ok 8216
180: ok 8217
180: ok 8218
180: ok 8219
180: ok 8220
180: ok 8221
180: ok 8222
180: ok 8223
180: ok 8224
180: ok 8225
180: ok 8226
180: ok 8227
180: ok 8228
180: ok 8229
180: ok 8230
180: ok 8231
180: ok 8232
180: ok 8233
180: ok 8234
180: ok 8235
180: ok 8236
180: ok 8237
180: ok 8238
180: ok 8239
180: ok 8240
180: ok 8241
180: ok 8242
180: ok 8243
180: ok 8244
180: ok 8245
180: ok 8246
180: ok 8247
180: ok 8248
180: ok 8249
180: ok 8250
180: ok 8251
180: ok 8252
180: ok 8253
180: ok 8254
180: ok 8255
180: ok 8256
180: ok 8257
180: ok 8258
180: ok 8259
180: ok 8260
180: ok 8261
180: ok 8262
180: ok 8263
180: ok 8264
180: ok 8265
180: ok 8266
180: ok 8267
180: ok 8268
180: ok 8269
180: ok 8270
180: ok 8271
180: ok 8272
180: ok 8273
180: ok 8274
180: ok 8275
180: ok 8276
180: ok 8277
180: ok 8278
180: ok 8279
180: ok 8280
180: ok 8281
180: ok 8282
180: ok 8283
180: ok 8284
180: ok 8285
180: ok 8286
180: ok 8287
180: ok 8288
180: ok 8289
180: ok 8290
180: ok 8291
180: ok 8292
180: ok 8293
180: ok 8294
180: ok 8295
180: ok 8296
180: ok 8297
180: ok 8298
180: ok 8299
180: ok 8300
180: ok 8301
180: ok 8302
180: ok 8303
180: ok 8304
180: ok 8305
180: ok 8306
180: ok 8307
180: ok 8308
180: ok 8309
180: ok 8310
180: ok 8311
180: ok 8312
180: ok 8313
180: ok 8314
180: ok 8315
180: ok 8316
180: ok 8317
180: ok 8318
180: ok 8319
180: ok 8320
180: ok 8321
180: ok 8322
180: ok 8323
180: ok 8324
180: ok 8325
180: ok 8326
180: ok 8327
180: ok 8328
180: ok 8329
180: ok 8330
180: ok 8331
180: ok 8332
180: ok 8333
180: ok 8334
180: ok 8335
180: ok 8336
180: ok 8337
180: ok 8338
180: ok 8339
180: ok 8340
180: ok 8341
180: ok 8342
180: ok 8343
180: ok 8344
180: ok 8345
180: ok 8346
180: ok 8347
180: ok 8348
180: ok 8349
180: ok 8350
180: ok 8351
180: ok 8352
180: ok 8353
180: ok 8354
180: ok 8355
180: ok 8356
180: ok 8357
180: ok 8358
180: ok 8359
180: ok 8360
180: ok 8361
180: ok 8362
180: ok 8363
180: ok 8364
180: ok 8365
180: ok 8366
180: ok 8367
180: ok 8368
180: ok 8369
180: ok 8370
180: ok 8371
180: ok 8372
180: ok 8373
180: ok 8374
180: ok 8375
180: ok 8376
180: ok 8377
180: ok 8378
180: ok 8379
180: ok 8380
180: ok 8381
180: ok 8382
180: ok 8383
180: ok 8384
180: ok 8385
180: ok 8386
180: ok 8387
180: ok 8388
180: ok 8389
180: ok 8390
180: ok 8391
180: ok 8392
180: ok 8393
180: ok 8394
180: ok 8395
180: ok 8396
180: ok 8397
180: ok 8398
180: ok 8399
180: ok 8400
180: ok 8401
180: ok 8402
180: ok 8403
180: ok 8404
180: ok 8405
180: ok 8406
180: ok 8407
180: ok 8408
180: ok 8409
180: ok 8410
180: ok 8411
180: ok 8412
180: ok 8413
180: ok 8414
180: ok 8415
180: ok 8416
180: ok 8417
180: ok 8418
180: ok 8419
180: ok 8420
180: ok 8421
180: ok 8422
180: ok 8423
180: ok 8424
180: ok 8425
180: ok 8426
180: ok 8427
180: ok 8428
180: ok 8429
180: ok 8430
180: ok 8431
180: ok 8432
180: ok 8433
180: ok 8434
180: ok 8435
180: ok 8436
180: ok 8437
180: ok 8438
180: ok 8439
180: ok 8440
180: ok 8441
180: ok 8442
180: ok 8443
180: ok 8444
180: ok 8445
180: ok 8446
180: ok 8447
180: ok 8448
180: ok 8449
180: ok 8450
180: ok 8451
180: ok 8452
180: ok 8453
180: ok 8454
180: ok 8455
180: ok 8456
180: ok 8457
180: ok 8458
180: ok 8459
180: ok 8460
180: ok 8461
180: ok 8462
180: ok 8463
180: ok 8464
180: ok 8465
180: ok 8466
180: ok 8467
180: ok 8468
180: ok 8469
180: ok 8470
180: ok 8471
180: ok 8472
180: ok 8473
180: ok 8474
180: ok 8475
180: ok 8476
180: ok 8477
180: ok 8478
180: ok 8479
180: ok 8480
180: ok 8481
180: ok 8482
180: ok 8483
180: ok 8484
180: ok 8485
180: ok 8486
180: ok 8487
180: ok 8488
180: ok 8489
180: ok 8490
180: ok 8491
180: ok 8492
180: ok 8493
180: ok 8494
180: ok 8495
180: ok 8496
180: ok 8497
180: ok 8498
180: ok 8499
180: ok 8500
180: ok 8501
180: ok 8502
180: ok 8503
180: ok 8504
180: ok 8505
180: ok 8506
180: ok 8507
180: ok 8508
180: ok 8509
180: ok 8510
180: ok 8511
180: ok 8512
180: ok 8513
180: ok 8514
180: ok 8515
180: ok 8516
180: ok 8517
180: ok 8518
180: ok 8519
180: ok 8520
180: ok 8521
180: ok 8522
180: ok 8523
180: ok 8524
180: ok 8525
180: ok 8526
180: ok 8527
180: ok 8528
180: ok 8529
180: ok 8530
180: ok 8531
180: ok 8532
180: ok 8533
180: ok 8534
180: ok 8535
180: ok 8536
180: ok 8537
180: ok 8538
180: ok 8539
180: ok 8540
180: ok 8541
180: ok 8542
180: ok 8543
180: ok 8544
180: ok 8545
180: ok 8546
180: ok 8547
180: ok 8548
180: ok 8549
180: ok 8550
180: ok 8551
180: ok 8552
180: ok 8553
180: ok 8554
180: ok 8555
180: ok 8556
180: ok 8557
180: ok 8558
180: ok 8559
180: ok 8560
180: ok 8561
180: ok 8562
180: ok 8563
180: ok 8564
180: ok 8565
180: ok 8566
180: ok 8567
180: ok 8568
180: ok 8569
180: ok 8570
180: ok 8571
180: ok 8572
180: ok 8573
180: ok 8574
180: ok 8575
180: ok 8576
180: ok 8577
180: ok 8578
180: ok 8579
180: ok 8580
180: ok 8581
180: ok 8582
180: ok 8583
180: ok 8584
180: ok 8585
180: ok 8586
180: ok 8587
180: ok 8588
180: ok 8589
180: ok 8590
180: ok 8591
180: ok 8592
180: ok 8593
180: ok 8594
180: ok 8595
180: ok 8596
180: ok 8597
180: ok 8598
180: ok 8599
180: ok 8600
180: ok 8601
180: ok 8602
180: ok 8603
180: ok 8604
180: ok 8605
180: ok 8606
180: ok 8607
180: ok 8608
180: ok 8609
180: ok 8610
180: ok 8611
180: ok 8612
180: ok 8613
180: ok 8614
180: ok 8615
180: ok 8616
180: ok 8617
180: ok 8618
180: ok 8619
180: ok 8620
180: ok 8621
180: ok 8622
180: ok 8623
180: ok 8624
180: ok 8625
180: ok 8626
180: ok 8627
180: ok 8628
180: ok 8629
180: ok 8630
180: ok 8631
180: ok 8632
180: ok 8633
180: ok 8634
180: ok 8635
180: ok 8636
180: ok 8637
180: ok 8638
180: ok 8639
180: ok 8640
180: ok 8641
180: ok 8642
180: ok 8643
180: ok 8644
180: ok 8645
180: ok 8646
180: ok 8647
180: ok 8648
180: ok 8649
180: ok 8650
180: ok 8651
180: ok 8652
180: ok 8653
180: ok 8654
180: ok 8655
180: ok 8656
180: ok 8657
180: ok 8658
180: ok 8659
180: ok 8660
180: ok 8661
180: ok 8662
180: ok 8663
180: ok 8664
180: ok 8665
180: ok 8666
180: ok 8667
180: ok 8668
180: ok 8669
180: ok 8670
180: ok 8671
180: ok 8672
180: ok 8673
180: ok 8674
180: ok 8675
180: ok 8676
180: ok 8677
180: ok 8678
180: ok 8679
180: ok 8680
180: ok 8681
180: ok 8682
180: ok 8683
180: ok 8684
180: ok 8685
180: ok 8686
180: ok 8687
180: ok 8688
180: ok 8689
180: ok 8690
180: ok 8691
180: ok 8692
180: ok 8693
180: ok 8694
180: ok 8695
180: ok 8696
180: ok 8697
180: ok 8698
180: ok 8699
180: ok 8700
180: ok 8701
180: ok 8702
180: ok 8703
180: ok 8704
180: ok 8705
180: ok 8706
180: ok 8707
180: ok 8708
180: ok 8709
180: ok 8710
180: ok 8711
180: ok 8712
180: ok 8713
180: ok 8714
180: ok 8715
180: ok 8716
180: ok 8717
180: ok 8718
180: ok 8719
180: ok 8720
180: ok 8721
180: ok 8722
180: ok 8723
180: ok 8724
180: ok 8725
180: ok 8726
180: ok 8727
180: ok 8728
180: ok 8729
180: ok 8730
180: ok 8731
180: ok 8732
180: ok 8733
180: ok 8734
180: ok 8735
180: ok 8736
180: ok 8737
180: ok 8738
180: ok 8739
180: ok 8740
180: ok 8741
180: ok 8742
180: ok 8743
180: ok 8744
180: ok 8745
180: ok 8746
180: ok 8747
180: ok 8748
180: ok 8749
180: ok 8750
180: ok 8751
180: ok 8752
180: ok 8753
180: ok 8754
180: ok 8755
180: ok 8756
180: ok 8757
180: ok 8758
180: ok 8759
180: ok 8760
180: ok 8761
180: ok 8762
180: ok 8763
180: ok 8764
180: ok 8765
180: ok 8766
180: ok 8767
180: ok 8768
180: ok 8769
180: ok 8770
180: ok 8771
180: ok 8772
180: ok 8773
180: ok 8774
180: ok 8775
180: ok 8776
180: ok 8777
180: ok 8778
180: ok 8779
180: ok 8780
180: ok 8781
180: ok 8782
180: ok 8783
180: ok 8784
180: ok 8785
180: ok 8786
180: ok 8787
180: ok 8788
180: ok 8789
180: ok 8790
180: ok 8791
180: ok 8792
180: ok 8793
180: ok 8794
180: ok 8795
180: ok 8796
180: ok 8797
180: ok 8798
180: ok 8799
180: ok 8800
180: ok 8801
180: ok 8802
180: ok 8803
180: ok 8804
180: ok 8805
180: ok 8806
180: ok 8807
180: ok 8808
180: ok 8809
180: ok 8810
180: ok 8811
180: ok 8812
180: ok 8813
180: ok 8814
180: ok 8815
180: ok 8816
180: ok 8817
180: ok 8818
180: ok 8819
180: ok 8820
180: ok 8821
180: ok 8822
180: ok 8823
180: ok 8824
180: ok 8825
180: ok 8826
180: ok 8827
180: ok 8828
180: ok 8829
180: ok 8830
180: ok 8831
180: ok 8832
180: ok 8833
180: ok 8834
180: ok 8835
180: ok 8836
180: ok 8837
180: ok 8838
180: ok 8839
180: ok 8840
180: ok 8841
180: ok 8842
180: ok 8843
180: ok 8844
180: ok 8845
180: ok 8846
180: ok 8847
180: ok 8848
180: ok 8849
180: ok 8850
180: ok 8851
180: ok 8852
180: ok 8853
180: ok 8854
180: ok 8855
180: ok 8856
180: ok 8857
180: ok 8858
180: ok 8859
180: ok 8860
180: ok 8861
180: ok 8862
180: ok 8863
180: ok 8864
180: ok 8865
180: ok 8866
180: ok 8867
180: ok 8868
180: ok 8869
180: ok 8870
180: ok 8871
180: ok 8872
180: ok 8873
180: ok 8874
180: ok 8875
180: ok 8876
180: ok 8877
180: ok 8878
180: ok 8879
180: ok 8880
180: ok 8881
180: ok 8882
180: ok 8883
180: ok 8884
180: ok 8885
180: ok 8886
180: ok 8887
180: ok 8888
180: ok 8889
180: ok 8890
180: ok 8891
180: ok 8892
180: ok 8893
180: ok 8894
180: ok 8895
180: ok 8896
180: ok 8897
180: ok 8898
180: ok 8899
180: ok 8900
180: ok 8901
180: ok 8902
180: ok 8903
180: ok 8904
180: ok 8905
180: ok 8906
180: ok 8907
180: ok 8908
180: ok 8909
180: ok 8910
180: ok 8911
180: ok 8912
180: ok 8913
180: ok 8914
180: ok 8915
180: ok 8916
180: ok 8917
180: ok 8918
180: ok 8919
180: ok 8920
180: ok 8921
180: ok 8922
180: ok 8923
180: ok 8924
180: ok 8925
180: ok 8926
180: ok 8927
180: ok 8928
180: ok 8929
180: ok 8930
180: ok 8931
180: ok 8932
180: ok 8933
180: ok 8934
180: ok 8935
180: ok 8936
180: ok 8937
180: ok 8938
180: ok 8939
180: ok 8940
180: ok 8941
180: ok 8942
180: ok 8943
180: ok 8944
180: ok 8945
180: ok 8946
180: ok 8947
180: ok 8948
180: ok 8949
180: ok 8950
180: ok 8951
180: ok 8952
180: ok 8953
180: ok 8954
180: ok 8955
180: ok 8956
180: ok 8957
180: ok 8958
180: ok 8959
180: ok 8960
180: ok 8961
180: ok 8962
180: ok 8963
180: ok 8964
180: ok 8965
180: ok 8966
180: ok 8967
180: ok 8968
180: ok 8969
180: ok 8970
180: ok 8971
180: ok 8972
180: ok 8973
180: ok 8974
180: ok 8975
180: ok 8976
180: ok 8977
180: ok 8978
180: ok 8979
180: ok 8980
180: ok 8981
180: ok 8982
180: ok 8983
180: ok 8984
180: ok 8985
180: ok 8986
180: ok 8987
180: ok 8988
180: ok 8989
180: ok 8990
180: ok 8991
180: ok 8992
180: ok 8993
180: ok 8994
180: ok 8995
180: ok 8996
180: ok 8997
180: ok 8998
180: ok 8999
180: ok 9000
180: ok 9001
180: ok 9002
180: ok 9003
180: ok 9004
180: ok 9005
180: ok 9006
180: ok 9007
180: ok 9008
180: ok 9009
180: ok 9010
180: ok 9011
180: ok 9012
180: ok 9013
180: ok 9014
180: ok 9015
180: ok 9016
180: ok 9017
180: ok 9018
180: ok 9019
180: ok 9020
180: ok 9021
180: ok 9022
180: ok 9023
180: ok 9024
180: ok 9025
180: ok 9026
180: ok 9027
180: ok 9028
180: ok 9029
180: ok 9030
180: ok 9031
180: ok 9032
180: ok 9033
180: ok 9034
180: ok 9035
180: ok 9036
180: ok 9037
180: ok 9038
180: ok 9039
180: ok 9040
180: ok 9041
180: ok 9042
180: ok 9043
180: ok 9044
180: ok 9045
180: ok 9046
180: ok 9047
180: ok 9048
180: ok 9049
180: ok 9050
180: ok 9051
180: ok 9052
180: ok 9053
180: ok 9054
180: ok 9055
180: ok 9056
180: ok 9057
180: ok 9058
180: ok 9059
180: ok 9060
180: ok 9061
180: ok 9062
180: ok 9063
180: ok 9064
180: ok 9065
180: ok 9066
180: ok 9067
180: ok 9068
180: ok 9069
180: ok 9070
180: ok 9071
180: ok 9072
180: ok 9073
180: ok 9074
180: ok 9075
180: ok 9076
180: ok 9077
180: ok 9078
180: ok 9079
180: ok 9080
180: ok 9081
180: ok 9082
180: ok 9083
180: ok 9084
180: ok 9085
180: ok 9086
180: ok 9087
180: ok 9088
180: ok 9089
180: ok 9090
180: ok 9091
180: ok 9092
180: ok 9093
180: ok 9094
180: ok 9095
180: ok 9096
180: ok 9097
180: ok 9098
180: ok 9099
180: ok 9100
180: ok 9101
180: ok 9102
180: ok 9103
180: ok 9104
180: ok 9105
180: ok 9106
180: ok 9107
180: ok 9108
180: ok 9109
180: ok 9110
180: ok 9111
180: ok 9112
180: ok 9113
180: ok 9114
180: ok 9115
180: ok 9116
180: ok 9117
180: ok 9118
180: ok 9119
180: ok 9120
180: ok 9121
180: ok 9122
180: ok 9123
180: ok 9124
180: ok 9125
180: ok 9126
180: ok 9127
180: ok 9128
180: ok 9129
180: ok 9130
180: ok 9131
180: ok 9132
180: ok 9133
180: ok 9134
180: ok 9135
180: ok 9136
180: ok 9137
180: ok 9138
180: ok 9139
180: ok 9140
180: ok 9141
180: ok 9142
180: ok 9143
180: ok 9144
180: ok 9145
180: ok 9146
180: ok 9147
180: ok 9148
180: ok 9149
180: ok 9150
180: ok 9151
180: ok 9152
180: ok 9153
180: ok 9154
180: ok 9155
180: ok 9156
180: ok 9157
180: ok 9158
180: ok 9159
180: ok 9160
180: ok 9161
180: ok 9162
180: ok 9163
180: ok 9164
180: ok 9165
180: ok 9166
180: ok 9167
180: ok 9168
180: ok 9169
180: ok 9170
180: ok 9171
180: ok 9172
180: ok 9173
180: ok 9174
180: ok 9175
180: ok 9176
180: ok 9177
180: ok 9178
180: ok 9179
180: ok 9180
180: ok 9181
180: ok 9182
180: ok 9183
180: ok 9184
180: ok 9185
180: ok 9186
180: ok 9187
180: ok 9188
180: ok 9189
180: ok 9190
180: ok 9191
180: ok 9192
180: ok 9193
180: ok 9194
180: ok 9195
180: ok 9196
180: ok 9197
180: ok 9198
180: ok 9199
180: ok 9200
180: ok 9201
180: ok 9202
180: ok 9203
180: ok 9204
180: ok 9205
180: ok 9206
180: ok 9207
180: ok 9208
180: ok 9209
180: ok 9210
180: ok 9211
180: ok 9212
180: ok 9213
180: ok 9214
180: ok 9215
180: ok 9216
180: ok 9217
180: ok 9218
180: ok 9219
180: ok 9220
180: ok 9221
180: ok 9222
180: ok 9223
180: ok 9224
180: ok 9225
180: ok 9226
180: ok 9227
180: ok 9228
180: ok 9229
180: ok 9230
180: ok 9231
180: ok 9232
180: ok 9233
180: ok 9234
180: ok 9235
180: ok 9236
180: ok 9237
180: ok 9238
180: ok 9239
180: ok 9240
180: ok 9241
180: ok 9242
180: ok 9243
180: ok 9244
180: ok 9245
180: ok 9246
180: ok 9247
180: ok 9248
180: ok 9249
180: ok 9250
180: ok 9251
180: ok 9252
180: ok 9253
180: ok 9254
180: ok 9255
180: ok 9256
180: ok 9257
180: ok 9258
180: ok 9259
180: ok 9260
180: ok 9261
180: ok 9262
180: ok 9263
180: ok 9264
180: ok 9265
180: ok 9266
180: ok 9267
180: ok 9268
180: ok 9269
180: ok 9270
180: ok 9271
180: ok 9272
180: ok 9273
180: ok 9274
180: ok 9275
180: ok 9276
180: ok 9277
180: ok 9278
180: ok 9279
180: ok 9280
180: ok 9281
180: ok 9282
180: ok 9283
180: ok 9284
180: ok 9285
180: ok 9286
180: ok 9287
180: ok 9288
180: ok 9289
180: ok 9290
180: ok 9291
180: ok 9292
180: ok 9293
180: ok 9294
180: ok 9295
180: ok 9296
180: ok 9297
180: ok 9298
180: ok 9299
180: ok 9300
180: ok 9301
180: ok 9302
180: ok 9303
180: ok 9304
180: ok 9305
180: ok 9306
180: ok 9307
180: ok 9308
180: ok 9309
180: ok 9310
180: ok 9311
180: ok 9312
180: ok 9313
180: ok 9314
180: ok 9315
180: ok 9316
180: ok 9317
180: ok 9318
180: ok 9319
180: ok 9320
180: ok 9321
180: ok 9322
180: ok 9323
180: ok 9324
180: ok 9325
180: ok 9326
180: ok 9327
180: ok 9328
180: ok 9329
180: ok 9330
180: ok 9331
180: ok 9332
180: ok 9333
180: ok 9334
180: ok 9335
180: ok 9336
180: ok 9337
180: ok 9338
180: ok 9339
180: ok 9340
180: ok 9341
180: ok 9342
180: ok 9343
180: ok 9344
180: ok 9345
180: ok 9346
180: ok 9347
180: ok 9348
180: ok 9349
180: ok 9350
180: ok 9351
180: ok 9352
180: ok 9353
180: ok 9354
180: ok 9355
180: ok 9356
180: ok 9357
180: ok 9358
180: ok 9359
180: ok 9360
180: ok 9361
180: ok 9362
180: ok 9363
180: ok 9364
180: ok 9365
180: ok 9366
180: ok 9367
180: ok 9368
180: ok 9369
180: ok 9370
180: ok 9371
180: ok 9372
180: ok 9373
180: ok 9374
180: ok 9375
180: ok 9376
180: ok 9377
180: ok 9378
180: ok 9379
180: ok 9380
180: ok 9381
180: ok 9382
180: ok 9383
180: ok 9384
180: ok 9385
180: ok 9386
180: ok 9387
180: ok 9388
180: ok 9389
180: ok 9390
180: ok 9391
180: ok 9392
180: ok 9393
180: ok 9394
180: ok 9395
180: ok 9396
180: ok 9397
180: ok 9398
180: ok 9399
180: ok 9400
180: ok 9401
180: ok 9402
180: ok 9403
180: ok 9404
180: ok 9405
180: ok 9406
180: ok 9407
180: ok 9408
180: ok 9409
180: ok 9410
180: ok 9411
180: ok 9412
180: ok 9413
180: ok 9414
180: ok 9415
180: ok 9416
180: ok 9417
180: ok 9418
180: ok 9419
180: ok 9420
180: ok 9421
180: ok 9422
180: ok 9423
180: ok 9424
180: ok 9425
180: ok 9426
180: ok 9427
180: ok 9428
180: ok 9429
180: ok 9430
180: ok 9431
180: ok 9432
180: ok 9433
180: ok 9434
180: ok 9435
180: ok 9436
180: ok 9437
180: ok 9438
180: ok 9439
180: ok 9440
180: ok 9441
180: ok 9442
180: ok 9443
180: ok 9444
180: ok 9445
180: ok 9446
180: ok 9447
180: ok 9448
180: ok 9449
180: ok 9450
180: ok 9451
180: ok 9452
180: ok 9453
180: ok 9454
180: ok 9455
180: ok 9456
180: ok 9457
180: ok 9458
180: ok 9459
180: ok 9460
180: ok 9461
180: ok 9462
180: ok 9463
180: ok 9464
180: ok 9465
180: ok 9466
180: ok 9467
180: ok 9468
180: ok 9469
180: ok 9470
180: ok 9471
180: ok 9472
180: ok 9473
180: ok 9474
180: ok 9475
180: ok 9476
180: ok 9477
180: ok 9478
180: ok 9479
180: ok 9480
180: ok 9481
180: ok 9482
180: ok 9483
180: ok 9484
180: ok 9485
180: ok 9486
180: ok 9487
180: ok 9488
180: ok 9489
180: ok 9490
180: ok 9491
180: ok 9492
180: ok 9493
180: ok 9494
180: ok 9495
180: ok 9496
180: ok 9497
180: ok 9498
180: ok 9499
180: ok 9500
180: ok 9501
180: ok 9502
180: ok 9503
180: ok 9504
180: ok 9505
180: ok 9506
180: ok 9507
180: ok 9508
180: ok 9509
180: ok 9510
180: ok 9511
180: ok 9512
180: ok 9513
180: ok 9514
180: ok 9515
180: ok 9516
180: ok 9517
180: ok 9518
180: ok 9519
180: ok 9520
180: ok 9521
180: ok 9522
180: ok 9523
180: ok 9524
180: ok 9525
180: ok 9526
180: ok 9527
180: ok 9528
180: ok 9529
180: ok 9530
180: ok 9531
180: ok 9532
180: ok 9533
180: ok 9534
180: ok 9535
180: ok 9536
180: ok 9537
180: ok 9538
180: ok 9539
180: ok 9540
180: ok 9541
180: ok 9542
180: ok 9543
180: ok 9544
180: ok 9545
180: ok 9546
180: ok 9547
180: ok 9548
180: ok 9549
180: ok 9550
180: ok 9551
180: ok 9552
180: ok 9553
180: ok 9554
180: ok 9555
180: ok 9556
180: ok 9557
180: ok 9558
180: ok 9559
180: ok 9560
180: ok 9561
180: ok 9562
180: ok 9563
180: ok 9564
180: ok 9565
180: ok 9566
180: ok 9567
180: ok 9568
180: ok 9569
180: ok 9570
180: ok 9571
180: ok 9572
180: ok 9573
180: ok 9574
180: ok 9575
180: ok 9576
180: ok 9577
180: ok 9578
180: ok 9579
180: ok 9580
180: ok 9581
180: ok 9582
180: ok 9583
180: ok 9584
180: ok 9585
180: ok 9586
180: ok 9587
180: ok 9588
180: ok 9589
180: ok 9590
180: ok 9591
180: ok 9592
180: ok 9593
180: ok 9594
180: ok 9595
180: ok 9596
180: ok 9597
180: ok 9598
180: ok 9599
180: ok 9600
180: ok 9601
180: ok 9602
180: ok 9603
180: ok 9604
180: ok 9605
180: ok 9606
180: ok 9607
180: ok 9608
180: ok 9609
180: ok 9610
180: ok 9611
180: ok 9612
180: ok 9613
180: ok 9614
180: ok 9615
180: ok 9616
180: ok 9617
180: ok 9618
180: ok 9619
180: ok 9620
180: ok 9621
180: ok 9622
180: ok 9623
180: ok 9624
180: ok 9625
180: ok 9626
180: ok 9627
180: ok 9628
180: ok 9629
180: ok 9630
180: ok 9631
180: ok 9632
180: ok 9633
180: ok 9634
180: ok 9635
180: ok 9636
180: ok 9637
180: ok 9638
180: ok 9639
180: ok 9640
180: ok 9641
180: ok 9642
180: ok 9643
180: ok 9644
180: ok 9645
180: ok 9646
180: ok 9647
180: ok 9648
180: ok 9649
180: ok 9650
180: ok 9651
180: ok 9652
180: ok 9653
180: ok 9654
180: ok 9655
180: ok 9656
180: ok 9657
180: ok 9658
180: ok 9659
180: ok 9660
180: ok 9661
180: ok 9662
180: ok 9663
180: ok 9664
180: ok 9665
180: ok 9666
180: ok 9667
180: ok 9668
180: ok 9669
180: ok 9670
180: ok 9671
180: ok 9672
180: ok 9673
180: ok 9674
180: ok 9675
180: ok 9676
180: ok 9677
180: ok 9678
180: ok 9679
180: ok 9680
180: ok 9681
180: ok 9682
180: ok 9683
180: ok 9684
180: ok 9685
180: ok 9686
180: ok 9687
180: ok 9688
180: ok 9689
180: ok 9690
180: ok 9691
180: ok 9692
180: ok 9693
180: ok 9694
180: ok 9695
180: ok 9696
180: ok 9697
180: ok 9698
180: ok 9699
180: ok 9700
180: ok 9701
180: ok 9702
180: ok 9703
180: ok 9704
180: ok 9705
180: ok 9706
180: ok 9707
180: ok 9708
180: ok 9709
180: ok 9710
180: ok 9711
180: ok 9712
180: ok 9713
180: ok 9714
180: ok 9715
180: ok 9716
180: ok 9717
180: ok 9718
180: ok 9719
180: ok 9720
180: ok 9721
180: ok 9722
180: ok 9723
180: ok 9724
180: ok 9725
180: ok 9726
180: ok 9727
180: ok 9728
180: ok 9729
180: ok 9730
180: ok 9731
180: ok 9732
180: ok 9733
180: ok 9734
180: ok 9735
180: ok 9736
180: ok 9737
180: ok 9738
180: ok 9739
180: ok 9740
180: ok 9741
180: ok 9742
180: ok 9743
180: ok 9744
180: ok 9745
180: ok 9746
180: ok 9747
180: ok 9748
180: ok 9749
180: ok 9750
180: ok 9751
180: ok 9752
180: ok 9753
180: ok 9754
180: ok 9755
180: ok 9756
180: ok 9757
180: ok 9758
180: ok 9759
180: ok 9760
180: ok 9761
180: ok 9762
180: ok 9763
180: ok 9764
180: ok 9765
180: ok 9766
180: ok 9767
180: ok 9768
180: ok 9769
180: ok 9770
180: ok 9771
180: ok 9772
180: ok 9773
180: ok 9774
180: ok 9775
180: ok 9776
180: ok 9777
180: ok 9778
180: ok 9779
180: ok 9780
180: ok 9781
180: ok 9782
180: ok 9783
180: ok 9784
180: ok 9785
180: ok 9786
180: ok 9787
180: ok 9788
180: ok 9789
180: ok 9790
180: ok 9791
180: ok 9792
180: ok 9793
180: ok 9794
180: ok 9795
180: ok 9796
180: ok 9797
180: ok 9798
180: ok 9799
180: ok 9800
180: ok 9801
180: ok 9802
180: ok 9803
180: ok 9804
180: ok 9805
180: ok 9806
180: ok 9807
180: ok 9808
180: ok 9809
180: ok 9810
180: ok 9811
180: ok 9812
180: ok 9813
180: ok 9814
180: ok 9815
180: ok 9816
180: ok 9817
180: ok 9818
180: ok 9819
180: ok 9820
180: ok 9821
180: ok 9822
180: ok 9823
180: ok 9824
180: ok 9825
180: ok 9826
180: ok 9827
180: ok 9828
180: ok 9829
180: ok 9830
180: ok 9831
180: ok 9832
180: ok 9833
180: ok 9834
180: ok 9835
180: ok 9836
180: ok 9837
180: ok 9838
180: ok 9839
180: ok 9840
180: ok 9841
180: ok 9842
180: ok 9843
180: ok 9844
180: ok 9845
180: ok 9846
180: ok 9847
180: ok 9848
180: ok 9849
180: ok 9850
180: ok 9851
180: ok 9852
180: ok 9853
180: ok 9854
180: ok 9855
180: ok 9856
180: ok 9857
180: ok 9858
180: ok 9859
180: ok 9860
180: ok 9861
180: ok 9862
180: ok 9863
180: ok 9864
180: ok 9865
180: ok 9866
180: ok 9867
180: ok 9868
180: ok 9869
180: ok 9870
180: ok 9871
180: ok 9872
180: ok 9873
180: ok 9874
180: ok 9875
180: ok 9876
180: ok 9877
180: ok 9878
180: ok 9879
180: ok 9880
180: ok 9881
180: ok 9882
180: ok 9883
180: ok 9884
180: ok 9885
180: ok 9886
180: ok 9887
180: ok 9888
180: ok 9889
180: ok 9890
180: ok 9891
180: ok 9892
180: ok 9893
180: ok 9894
180: ok 9895
180: ok 9896
180: ok 9897
180: ok 9898
180: ok 9899
180: ok 9900
180: ok 9901
180: ok 9902
180: ok 9903
180: ok 9904
180: ok 9905
180: ok 9906
180: ok 9907
180: ok 9908
180: ok 9909
180: ok 9910
180: ok 9911
180: ok 9912
180: ok 9913
180: ok 9914
180: ok 9915
180: ok 9916
180: ok 9917
180: ok 9918
180: ok 9919
180: ok 9920
180: ok 9921
180: ok 9922
180: ok 9923
180: ok 9924
180: ok 9925
180: ok 9926
180: ok 9927
180: ok 9928
180: ok 9929
180: ok 9930
180: ok 9931
180: ok 9932
180: ok 9933
180: ok 9934
180: ok 9935
180: ok 9936
180: ok 9937
180: ok 9938
180: ok 9939
180: ok 9940
180: ok 9941
180: ok 9942
180: ok 9943
180: ok 9944
180: ok 9945
180: ok 9946
180: ok 9947
180: ok 9948
180: ok 9949
180: ok 9950
180: ok 9951
180: ok 9952
180: ok 9953
180: ok 9954
180: ok 9955
180: ok 9956
180: ok 9957
180: ok 9958
180: ok 9959
180: ok 9960
180: ok 9961
180: ok 9962
180: ok 9963
180: ok 9964
180: ok 9965
180: ok 9966
180: ok 9967
180: ok 9968
180: ok 9969
180: ok 9970
180: ok 9971
180: ok 9972
180: ok 9973
180: ok 9974
180: ok 9975
180: ok 9976
180: ok 9977
180: ok 9978
180: ok 9979
180: ok 9980
180: ok 9981
180: ok 9982
180: ok 9983
180: ok 9984
180: ok 9985
180: ok 9986
180: ok 9987
180: ok 9988
180: ok 9989
180: ok 9990
180: ok 9991
180: ok 9992
180: ok 9993
180: ok 9994
180: ok 9995
180: ok 9996
180: ok 9997
180: ok 9998
180: ok 9999
180: ok 10000
180: ok 10001
180: ok 10002
180: ok 10003
180: ok 10004
180: ok 10005
180: ok 10006
180: ok 10007
180: ok 10008
180: ok 10009
180: ok 10010
180: ok 10011
180: ok 10012
180: ok 10013
180: ok 10014
180: ok 10015
180: ok 10016
180: ok 10017
180: ok 10018
180: ok 10019
180: ok 10020
180: ok 10021
180: ok 10022
180: ok 10023
180: ok 10024
180: ok 10025
180: ok 10026
180: ok 10027
180: ok 10028
180: ok 10029
180: ok 10030
180: ok 10031
180: ok 10032
180: ok 10033
180: ok 10034
180: ok 10035
180: ok 10036
180: ok 10037
180: ok 10038
180: ok 10039
180: ok 10040
180: ok 10041
180: ok 10042
180: ok 10043
180: ok 10044
180: ok 10045
180: ok 10046
180: ok 10047
180: ok 10048
180: ok 10049
180: ok 10050
180: ok 10051
180: ok 10052
180: ok 10053
180: ok 10054
180: ok 10055
180: ok 10056
180: ok 10057
180: ok 10058
180: ok 10059
180: ok 10060
180: ok 10061
180: ok 10062
180: ok 10063
180: ok 10064
180: ok 10065
180: ok 10066
180: ok 10067
180: ok 10068
180: ok 10069
180: ok 10070
180: ok 10071
180: ok 10072
180: ok 10073
180: ok 10074
180: ok 10075
180: ok 10076
180: ok 10077
180: ok 10078
180: ok 10079
180: ok 10080
180: ok 10081
180: ok 10082
180: ok 10083
180: ok 10084
180: ok 10085
180: ok 10086
180: ok 10087
180: ok 10088
180: ok 10089
180: ok 10090
180: ok 10091
180: ok 10092
180: ok 10093
180: ok 10094
180: ok 10095
180: ok 10096
180: ok 10097
180: ok 10098
180: ok 10099
180: ok 10100
180: ok 10101
180: ok 10102
180: ok 10103
180: ok 10104
180: ok 10105
180: ok 10106
180: ok 10107
180: ok 10108
180: ok 10109
180: ok 10110
180: ok 10111
180: ok 10112
180: ok 10113
180: ok 10114
180: ok 10115
180: ok 10116
180: ok 10117
180: ok 10118
180: ok 10119
180: ok 10120
180: ok 10121
180: ok 10122
180: ok 10123
180: ok 10124
180: ok 10125
180: ok 10126
180: ok 10127
180: ok 10128
180: ok 10129
180: ok 10130
180: ok 10131
180: ok 10132
180: ok 10133
180: ok 10134
180: ok 10135
180: ok 10136
180: ok 10137
180: ok 10138
180: ok 10139
180: ok 10140
180: ok 10141
180: ok 10142
180: ok 10143
180: ok 10144
180: ok 10145
180: ok 10146
180: ok 10147
180: ok 10148
180: ok 10149
180: ok 10150
180: ok 10151
180: ok 10152
180: ok 10153
180: ok 10154
180: ok 10155
180: ok 10156
180: ok 10157
180: ok 10158
180: ok 10159
180: ok 10160
180: ok 10161
180: ok 10162
180: ok 10163
180: ok 10164
180: ok 10165
180: ok 10166
180: ok 10167
180: ok 10168
180: ok 10169
180: ok 10170
180: ok 10171
180: ok 10172
180: ok 10173
180: ok 10174
180: ok 10175
180: ok 10176
180: ok 10177
180: ok 10178
180: ok 10179
180: ok 10180
180: ok 10181
180: ok 10182
180: ok 10183
180: ok 10184
180: ok 10185
180: ok 10186
180: ok 10187
180: ok 10188
180: ok 10189
180: ok 10190
180: ok 10191
180: ok 10192
180: ok 10193
180: ok 10194
180: ok 10195
180: ok 10196
180: ok 10197
180: ok 10198
180: ok 10199
180: ok 10200
180: ok 10201
180: ok 10202
180: ok 10203
180: ok 10204
180: ok 10205
180: ok 10206
180: ok 10207
180: ok 10208
180: ok 10209
180: ok 10210
180: ok 10211
180: ok 10212
180: ok 10213
180: ok 10214
180: ok 10215
180: ok 10216
180: ok 10217
180: ok 10218
180: ok 10219
180: ok 10220
180: ok 10221
180: ok 10222
180: ok 10223
180: ok 10224
180: ok 10225
180: ok 10226
180: ok 10227
180: ok 10228
180: ok 10229
180: ok 10230
180: ok 10231
180: ok 10232
180: ok 10233
180: ok 10234
180: ok 10235
180: ok 10236
180: ok 10237
180: ok 10238
180: ok 10239
180: ok 10240
180: ok 10241
180: ok 10242
180: ok 10243
180: ok 10244
180: ok 10245
180: ok 10246
180: ok 10247
180: ok 10248
180: ok 10249
180: ok 10250
180: ok 10251
180: ok 10252
180: ok 10253
180: ok 10254
180: ok 10255
180: ok 10256
180: ok 10257
180: ok 10258
180: ok 10259
180: ok 10260
180: ok 10261
180: ok 10262
180: ok 10263
180: ok 10264
180: ok 10265
180: ok 10266
180: ok 10267
180: ok 10268
180: ok 10269
180: ok 10270
180: ok 10271
180: ok 10272
180: ok 10273
180: ok 10274
180: ok 10275
180: ok 10276
180: ok 10277
180: ok 10278
180: ok 10279
180: ok 10280
180: ok 10281
180: ok 10282
180: ok 10283
180: ok 10284
180: ok 10285
180: ok 10286
180: ok 10287
180: ok 10288
180: ok 10289
180: ok 10290
180: ok 10291
180: ok 10292
180: ok 10293
180: ok 10294
180: ok 10295
180: ok 10296
180: ok 10297
180: ok 10298
180: ok 10299
180: ok 10300
180: ok 10301
180: ok 10302
180: ok 10303
180: ok 10304
180: ok 10305
180: ok 10306
180: ok 10307
180: ok 10308
180: ok 10309
180: ok 10310
180: ok 10311
180: ok 10312
180: ok 10313
180: ok 10314
180: ok 10315
180: ok 10316
180: ok 10317
180: ok 10318
180: ok 10319
180: ok 10320
180: ok 10321
180: ok 10322
180: ok 10323
180: ok 10324
180: ok 10325
180: ok 10326
180: ok 10327
180: ok 10328
180: ok 10329
180: ok 10330
180: ok 10331
180: ok 10332
180: ok 10333
180: ok 10334
180: ok 10335
180: ok 10336
180: ok 10337
180: ok 10338
180: ok 10339
180: ok 10340
180: ok 10341
180: ok 10342
180: ok 10343
180: ok 10344
180: ok 10345
180: ok 10346
180: ok 10347
180: ok 10348
180: ok 10349
180: ok 10350
180: ok 10351
180: ok 10352
180: ok 10353
180: ok 10354
180: ok 10355
180: ok 10356
180: ok 10357
180: ok 10358
180: ok 10359
180: ok 10360
180: ok 10361
180: ok 10362
180: ok 10363
180: ok 10364
180: ok 10365
180: ok 10366
180: ok 10367
180: ok 10368
180: ok 10369
180: ok 10370
180: ok 10371
180: ok 10372
180: ok 10373
180: ok 10374
180: ok 10375
180: ok 10376
180: ok 10377
180: ok 10378
180: ok 10379
180: ok 10380
180: ok 10381
180: ok 10382
180: ok 10383
180: ok 10384
180: ok 10385
180: ok 10386
180: ok 10387
180: ok 10388
180: ok 10389
180: ok 10390
180: ok 10391
180: ok 10392
180: ok 10393
180: ok 10394
180: ok 10395
180: ok 10396
180: ok 10397
180: ok 10398
180: ok 10399
180: ok 10400
180: ok 10401
180: ok 10402
180: ok 10403
180: ok 10404
180: ok 10405
180: ok 10406
180: ok 10407
180: ok 10408
180: ok 10409
180: ok 10410
180: ok 10411
180: ok 10412
180: ok 10413
180: ok 10414
180: ok 10415
180: ok 10416
180: ok 10417
180: ok 10418
180: ok 10419
180: ok 10420
180: ok 10421
180: ok 10422
180: ok 10423
180: ok 10424
180: ok 10425
180: ok 10426
180: ok 10427
180: ok 10428
180: ok 10429
180: ok 10430
180: ok 10431
180: ok 10432
180: ok 10433
180: ok 10434
180: ok 10435
180: ok 10436
180: ok 10437
180: ok 10438
180: ok 10439
180: ok 10440
180: ok 10441
180: ok 10442
180: ok 10443
180: ok 10444
180: ok 10445
180: ok 10446
180: ok 10447
180: ok 10448
180: ok 10449
180: ok 10450
180: ok 10451
180: ok 10452
180: ok 10453
180: ok 10454
180: ok 10455
180: ok 10456
180: ok 10457
180: ok 10458
180: ok 10459
180: ok 10460
180: ok 10461
180: ok 10462
180: ok 10463
180: ok 10464
180: ok 10465
180: ok 10466
180: ok 10467
180: ok 10468
180: ok 10469
180: ok 10470
180: ok 10471
180: ok 10472
180: ok 10473
180: ok 10474
180: ok 10475
180: ok 10476
180: ok 10477
180: ok 10478
180: ok 10479
180: ok 10480
180: ok 10481
180: ok 10482
180: ok 10483
180: ok 10484
180: ok 10485
180: ok 10486
180: ok 10487
180: ok 10488
180: ok 10489
180: ok 10490
180: ok 10491
180: ok 10492
180: ok 10493
180: ok 10494
180: ok 10495
180: ok 10496
180: ok 10497
180: ok 10498
180: ok 10499
180: ok 10500
180: ok 10501
180: ok 10502
180: ok 10503
180: ok 10504
180: ok 10505
180: ok 10506
180: ok 10507
180: ok 10508
180: ok 10509
180: ok 10510
180: ok 10511
180: ok 10512
180: ok 10513
180: ok 10514
180: ok 10515
180: ok 10516
180: ok 10517
180: ok 10518
180: ok 10519
180: ok 10520
180: ok 10521
180: ok 10522
180: ok 10523
180: ok 10524
180: ok 10525
180: ok 10526
180: ok 10527
180: ok 10528
180: ok 10529
180: ok 10530
180: ok 10531
180: ok 10532
180: ok 10533
180: ok 10534
180: ok 10535
180: ok 10536
180: ok 10537
180: ok 10538
180: ok 10539
180: ok 10540
180: ok 10541
180: ok 10542
180: ok 10543
180: ok 10544
180: ok 10545
180: ok 10546
180: ok 10547
180: ok 10548
180: ok 10549
180: ok 10550
180: ok 10551
180: ok 10552
180: ok 10553
180: ok 10554
180: ok 10555
180: ok 10556
180: ok 10557
180: ok 10558
180: ok 10559
180: ok 10560
180: ok 10561
180: ok 10562
180: ok 10563
180: ok 10564
180: ok 10565
180: ok 10566
180: ok 10567
180: ok 10568
180: ok 10569
180: ok 10570
180: ok 10571
180: ok 10572
180: ok 10573
180: ok 10574
180: ok 10575
180: ok 10576
180: ok 10577
180: ok 10578
180: ok 10579
180: ok 10580
180: ok 10581
180: ok 10582
180: ok 10583
180: ok 10584
180: ok 10585
180: ok 10586
180: ok 10587
180: ok 10588
180: ok 10589
180: ok 10590
180: ok 10591
180: ok 10592
180: ok 10593
180: ok 10594
180: ok 10595
180: ok 10596
180: ok 10597
180: ok 10598
180: ok 10599
180: ok 10600
180: ok 10601
180: ok 10602
180: ok 10603
180: ok 10604
180: ok 10605
180: ok 10606
180: ok 10607
180: ok 10608
180: ok 10609
180: ok 10610
180: ok 10611
180: ok 10612
180: ok 10613
180: ok 10614
180: ok 10615
180: ok 10616
180: ok 10617
180: ok 10618
180: ok 10619
180: ok 10620
180: ok 10621
180: ok 10622
180: ok 10623
180: ok 10624
180: ok 10625
180: ok 10626
180: ok 10627
180: ok 10628
180: ok 10629
180: ok 10630
180: ok 10631
180: ok 10632
180: ok 10633
180: ok 10634
180: ok 10635
180: ok 10636
180: ok 10637
180: ok 10638
180: ok 10639
180: ok 10640
180: ok 10641
180: ok 10642
180: ok 10643
180: ok 10644
180: ok 10645
180: ok 10646
180: ok 10647
180: ok 10648
180: ok 10649
180: ok 10650
180: ok 10651
180: ok 10652
180: ok 10653
180: ok 10654
180: ok 10655
180: ok 10656
180: ok 10657
180: ok 10658
180: ok 10659
180: ok 10660
180: ok 10661
180: ok 10662
180: ok 10663
180: ok 10664
180: ok 10665
180: ok 10666
180: ok 10667
180: ok 10668
180: ok 10669
180: ok 10670
180: ok 10671
180: ok 10672
180: ok 10673
180: ok 10674
180: ok 10675
180: ok 10676
180: ok 10677
180: ok 10678
180: ok 10679
180: ok 10680
180: ok 10681
180: ok 10682
180: ok 10683
180: ok 10684
180: ok 10685
180: ok 10686
180: ok 10687
180: ok 10688
180: ok 10689
180: ok 10690
180: ok 10691
180: ok 10692
180: ok 10693
180: ok 10694
180: ok 10695
180: ok 10696
180: ok 10697
180: ok 10698
180: ok 10699
180: ok 10700
180: ok 10701
180: ok 10702
180: ok 10703
180: ok 10704
180: ok 10705
180: ok 10706
180: ok 10707
180: ok 10708
180: ok 10709
180: ok 10710
180: ok 10711
180: ok 10712
180: ok 10713
180: ok 10714
180: ok 10715
180: ok 10716
180: ok 10717
180: ok 10718
180: ok 10719
180: ok 10720
180: ok 10721
180: ok 10722
180: ok 10723
180: ok 10724
180: ok 10725
180: ok 10726
180: ok 10727
180: ok 10728
180: ok 10729
180: ok 10730
180: ok 10731
180: ok 10732
180: ok 10733
180: ok 10734
180: ok 10735
180: ok 10736
180: ok 10737
180: ok 10738
180: ok 10739
180: ok 10740
180: ok 10741
180: ok 10742
180: ok 10743
180: ok 10744
180: ok 10745
180: ok 10746
180: ok 10747
180: ok 10748
180: ok 10749
180: ok 10750
180: ok 10751
180: ok 10752
180: ok 10753
180: ok 10754
180: ok 10755
180: ok 10756
180: ok 10757
180: ok 10758
180: ok 10759
180: ok 10760
180: ok 10761
180: ok 10762
180: ok 10763
180: ok 10764
180: ok 10765
180: ok 10766
180: ok 10767
180: ok 10768
180: ok 10769
180: ok 10770
180: ok 10771
180: ok 10772
180: ok 10773
180: ok 10774
180: ok 10775
180: ok 10776
180: ok 10777
180: ok 10778
180: ok 10779
180: ok 10780
180: ok 10781
180: ok 10782
180: ok 10783
180: ok 10784
180: ok 10785
180: ok 10786
180: ok 10787
180: ok 10788
180: ok 10789
180: ok 10790
180: ok 10791
180: ok 10792
180: ok 10793
180: ok 10794
180: ok 10795
180: ok 10796
180: ok 10797
180: ok 10798
180: ok 10799
180: ok 10800
180: ok 10801
180: ok 10802
180: ok 10803
180: ok 10804
180: ok 10805
180: ok 10806
180: ok 10807
180: ok 10808
180: ok 10809
180: ok 10810
180: ok 10811
180: ok 10812
180: ok 10813
180: ok 10814
180: ok 10815
180: ok 10816
180: ok 10817
180: ok 10818
180: ok 10819
180: ok 10820
180: ok 10821
180: ok 10822
180: ok 10823
180: ok 10824
180: ok 10825
180: ok 10826
180: ok 10827
180: ok 10828
180: ok 10829
180: ok 10830
180: ok 10831
180: ok 10832
180: ok 10833
180: ok 10834
180: ok 10835
180: ok 10836
180: ok 10837
180: ok 10838
180: ok 10839
180: ok 10840
180: ok 10841
180: ok 10842
180: ok 10843
180: ok 10844
180: ok 10845
180: ok 10846
180: ok 10847
180: ok 10848
180: ok 10849
180: ok 10850
180: ok 10851
180: ok 10852
180: ok 10853
180: ok 10854
180: ok 10855
180: ok 10856
180: ok 10857
180: ok 10858
180: ok 10859
180: ok 10860
180: ok 10861
180: ok 10862
180: ok 10863
180: ok 10864
180: ok 10865
180: ok 10866
180: ok 10867
180: ok 10868
180: ok 10869
180: ok 10870
180: ok 10871
180: ok 10872
180: ok 10873
180: ok 10874
180: ok 10875
180: ok 10876
180: ok 10877
180: ok 10878
180: ok 10879
180: ok 10880
180: ok 10881
180: ok 10882
180: ok 10883
180: ok 10884
180: ok 10885
180: ok 10886
180: ok 10887
180: ok 10888
180: ok 10889
180: ok 10890
180: ok 10891
180: ok 10892
180: ok 10893
180: ok 10894
180: ok 10895
180: ok 10896
180: ok 10897
180: ok 10898
180: ok 10899
180: ok 10900
180: ok 10901
180: ok 10902
180: ok 10903
180: ok 10904
180: ok 10905
180: ok 10906
180: ok 10907
180: ok 10908
180: ok 10909
180: ok 10910
180: ok 10911
180: ok 10912
180: ok 10913
180: ok 10914
180: ok 10915
180: ok 10916
180: ok 10917
180: ok 10918
180: ok 10919
180: ok 10920
180: ok 10921
180: ok 10922
180: ok 10923
180: ok 10924
180: ok 10925
180: ok 10926
180: ok 10927
180: ok 10928
180: ok 10929
180: ok 10930
180: ok 10931
180: ok 10932
180: ok 10933
180: ok 10934
180: ok 10935
180: ok 10936
180: ok 10937
180: ok 10938
180: ok 10939
180: ok 10940
180: ok 10941
180: ok 10942
180: ok 10943
180: ok 10944
180: ok 10945
180: ok 10946
180: ok 10947
180: ok 10948
180: ok 10949
180: ok 10950
180: ok 10951
180: ok 10952
180: ok 10953
180: ok 10954
180: ok 10955
180: ok 10956
180: ok 10957
180: ok 10958
180: ok 10959
180: ok 10960
180: ok 10961
180: ok 10962
180: ok 10963
180: ok 10964
180: ok 10965
180: ok 10966
180: ok 10967
180: ok 10968
180: ok 10969
180: ok 10970
180: ok 10971
180: ok 10972
180: ok 10973
180: ok 10974
180: ok 10975
180: ok 10976
180: ok 10977
180: ok 10978
180: ok 10979
180: ok 10980
180: ok 10981
180: ok 10982
180: ok 10983
180: ok 10984
180: ok 10985
180: ok 10986
180: ok 10987
180: ok 10988
180: ok 10989
180: ok 10990
180: ok 10991
180: ok 10992
180: ok 10993
180: ok 10994
180: ok 10995
180: ok 10996
180: ok 10997
180: ok 10998
180: ok 10999
180: ok 11000
180: ok 11001
180: ok 11002
180: ok 11003
180: ok 11004
180: ok 11005
180: ok 11006
180: ok 11007
180: ok 11008
180: ok 11009
180: ok 11010
180: ok 11011
180: ok 11012
180: ok 11013
180: ok 11014
180: ok 11015
180: ok 11016
180: ok 11017
180: ok 11018
180: ok 11019
180: ok 11020
180: ok 11021
180: ok 11022
180: ok 11023
180: ok 11024
180: ok 11025
180: ok 11026
180: ok 11027
180: ok 11028
180: ok 11029
180: ok 11030
180: ok 11031
180: ok 11032
180: ok 11033
180: ok 11034
180: ok 11035
180: ok 11036
180: ok 11037
180: ok 11038
180: ok 11039
180: ok 11040
180: ok 11041
180: ok 11042
180: ok 11043
180: ok 11044
180: ok 11045
180: ok 11046
180: ok 11047
180: ok 11048
180: ok 11049
180: ok 11050
180: ok 11051
180: ok 11052
180: ok 11053
180: ok 11054
180: ok 11055
180: ok 11056
180: ok 11057
180: ok 11058
180: ok 11059
180: ok 11060
180: ok 11061
180: ok 11062
180: ok 11063
180: ok 11064
180: ok 11065
180: ok 11066
180: ok 11067
180: ok 11068
180: ok 11069
180: ok 11070
180: ok 11071
180: ok 11072
180: ok 11073
180: ok 11074
180: ok 11075
180: ok 11076
180: ok 11077
180: ok 11078
180: ok 11079
180: ok 11080
180: ok 11081
180: ok 11082
180: ok 11083
180: ok 11084
180: ok 11085
180: ok 11086
180: ok 11087
180: ok 11088
180: ok 11089
180: ok 11090
180: ok 11091
180: ok 11092
180: ok 11093
180: ok 11094
180: ok 11095
180: ok 11096
180: ok 11097
180: ok 11098
180: ok 11099
180: ok 11100
180: ok 11101
180: ok 11102
180: ok 11103
180: ok 11104
180: ok 11105
180: ok 11106
180: ok 11107
180: ok 11108
180: ok 11109
180: ok 11110
180: ok 11111
180: ok 11112
180: ok 11113
180: ok 11114
180: ok 11115
180: ok 11116
180: ok 11117
180: ok 11118
180: ok 11119
180: ok 11120
180: ok 11121
180: ok 11122
180: ok 11123
180: ok 11124
180: ok 11125
180: ok 11126
180: ok 11127
180: ok 11128
180: ok 11129
180: ok 11130
180: ok 11131
180: ok 11132
180: ok 11133
180: ok 11134
180: ok 11135
180: ok 11136
180: ok 11137
180: ok 11138
180: ok 11139
180: ok 11140
180: ok 11141
180: ok 11142
180: ok 11143
180: ok 11144
180: ok 11145
180: ok 11146
180: ok 11147
180: ok 11148
180: ok 11149
180: ok 11150
180: ok 11151
180: ok 11152
180: ok 11153
180: ok 11154
180: ok 11155
180: ok 11156
180: ok 11157
180: ok 11158
180: ok 11159
180: ok 11160
180: ok 11161
180: ok 11162
180: ok 11163
180: ok 11164
180: ok 11165
180: ok 11166
180: ok 11167
180: ok 11168
180: ok 11169
180: ok 11170
180: ok 11171
180: ok 11172
180: ok 11173
180: ok 11174
180: ok 11175
180: ok 11176
180: ok 11177
180: ok 11178
180: ok 11179
180: ok 11180
180: ok 11181
180: ok 11182
180: ok 11183
180: ok 11184
180: ok 11185
180: ok 11186
180: ok 11187
180: ok 11188
180: ok 11189
180: ok 11190
180: ok 11191
180: ok 11192
180: ok 11193
180: ok 11194
180: ok 11195
180: ok 11196
180: ok 11197
180: ok 11198
180: ok 11199
180: ok 11200
180: ok 11201
180: ok 11202
180: ok 11203
180: ok 11204
180: ok 11205
180: ok 11206
180: ok 11207
180: ok 11208
180: ok 11209
180: ok 11210
180: ok 11211
180: ok 11212
180: ok 11213
180: ok 11214
180: ok 11215
180: ok 11216
180: ok 11217
180: ok 11218
180: ok 11219
180: ok 11220
180: ok 11221
180: ok 11222
180: ok 11223
180: ok 11224
180: ok 11225
180: ok 11226
180: ok 11227
180: ok 11228
180: ok 11229
180: ok 11230
180: ok 11231
180: ok 11232
180: ok 11233
180: ok 11234
180: ok 11235
180: ok 11236
180: ok 11237
180: ok 11238
180: ok 11239
180: ok 11240
180: ok 11241
180: ok 11242
180: ok 11243
180: ok 11244
180: ok 11245
180: ok 11246
180: ok 11247
180: ok 11248
180: ok 11249
180: ok 11250
180: ok 11251
180: ok 11252
180: ok 11253
180: ok 11254
180: ok 11255
180: ok 11256
180: ok 11257
180: ok 11258
180: ok 11259
180: ok 11260
180: ok 11261
180: ok 11262
180: ok 11263
180: ok 11264
180: ok 11265
180: ok 11266
180: ok 11267
180: ok 11268
180: ok 11269
180: ok 11270
180: ok 11271
180: ok 11272
180: ok 11273
180: ok 11274
180: ok 11275
180: ok 11276
180: ok 11277
180: ok 11278
180: ok 11279
180: ok 11280
180: ok 11281
180: ok 11282
180: ok 11283
180: ok 11284
180: ok 11285
180: ok 11286
180: ok 11287
180: ok 11288
180: ok 11289
180: ok 11290
180: ok 11291
180: ok 11292
180: ok 11293
180: ok 11294
180: ok 11295
180: ok 11296
180: ok 11297
180: ok 11298
180: ok 11299
180: ok 11300
180: ok 11301
180: ok 11302
180: ok 11303
180: ok 11304
180: ok 11305
180: ok 11306
180: ok 11307
180: ok 11308
180: ok 11309
180: ok 11310
180: ok 11311
180: ok 11312
180: ok 11313
180: ok 11314
180: ok 11315
180: ok 11316
180: ok 11317
180: ok 11318
180: ok 11319
180: ok 11320
180: ok 11321
180: ok 11322
180: ok 11323
180: ok 11324
180: ok 11325
180: ok 11326
180: ok 11327
180: ok 11328
180: ok 11329
180: ok 11330
180: ok 11331
180: ok 11332
180: ok 11333
180: ok 11334
180: ok 11335
180: ok 11336
180: ok 11337
180: ok 11338
180: ok 11339
180: ok 11340
180: ok 11341
180: ok 11342
180: ok 11343
180: ok 11344
180: ok 11345
180: ok 11346
180: ok 11347
180: ok 11348
180: ok 11349
180: ok 11350
180: ok 11351
180: ok 11352
180: ok 11353
180: ok 11354
180: ok 11355
180: ok 11356
180: ok 11357
180: ok 11358
180: ok 11359
180: ok 11360
180: ok 11361
180: ok 11362
180: ok 11363
180: ok 11364
180: ok 11365
180: ok 11366
180: ok 11367
180: ok 11368
180: ok 11369
180: ok 11370
180: ok 11371
180: ok 11372
180: ok 11373
180: ok 11374
180: ok 11375
180: ok 11376
180: ok 11377
180: ok 11378
180: ok 11379
180: ok 11380
180: ok 11381
180: ok 11382
180: ok 11383
180: ok 11384
180: ok 11385
180: ok 11386
180: ok 11387
180: ok 11388
180: ok 11389
180: ok 11390
180: ok 11391
180: ok 11392
180: ok 11393
180: ok 11394
180: ok 11395
180: ok 11396
180: ok 11397
180: ok 11398
180: ok 11399
180: ok 11400
180: ok 11401
180: ok 11402
180: ok 11403
180: ok 11404
180: ok 11405
180: ok 11406
180: ok 11407
180: ok 11408
180: ok 11409
180: ok 11410
180: ok 11411
180: ok 11412
180: ok 11413
180: ok 11414
180: ok 11415
180: ok 11416
180: ok 11417
180: ok 11418
180: ok 11419
180: ok 11420
180: ok 11421
180: ok 11422
180: ok 11423
180: ok 11424
180: ok 11425
180: ok 11426
180: ok 11427
180: ok 11428
180: ok 11429
180: ok 11430
180: ok 11431
180: ok 11432
180: ok 11433
180: ok 11434
180: ok 11435
180: ok 11436
180: ok 11437
180: ok 11438
180: ok 11439
180: ok 11440
180: ok 11441
180: ok 11442
180: ok 11443
180: ok 11444
180: ok 11445
180: ok 11446
180: ok 11447
180: ok 11448
180: ok 11449
180: ok 11450
180: ok 11451
180: ok 11452
180: ok 11453
180: ok 11454
180: ok 11455
180: ok 11456
180: ok 11457
180: ok 11458
180: ok 11459
180: ok 11460
180: ok 11461
180: ok 11462
180: ok 11463
180: ok 11464
180: ok 11465
180: ok 11466
180: ok 11467
180: ok 11468
180: ok 11469
180: ok 11470
180: ok 11471
180: ok 11472
180: ok 11473
180: ok 11474
180: ok 11475
180: ok 11476
180: ok 11477
180: ok 11478
180: ok 11479
180: ok 11480
180: ok 11481
180: ok 11482
180: ok 11483
180: ok 11484
180: ok 11485
180: ok 11486
180: ok 11487
180: ok 11488
180: ok 11489
180: ok 11490
180: ok 11491
180: ok 11492
180: ok 11493
180: ok 11494
180: ok 11495
180: ok 11496
180: ok 11497
180: ok 11498
180: ok 11499
180: ok 11500
180: ok 11501
180: ok 11502
180: ok 11503
180: ok 11504
180: ok 11505
180: ok 11506
180: ok 11507
180: ok 11508
180: ok 11509
180: ok 11510
180: ok 11511
180: ok 11512
180: ok 11513
180: ok 11514
180: ok 11515
180: ok 11516
180: ok 11517
180: ok 11518
180: ok 11519
180: ok 11520
180: ok 11521
180: ok 11522
180: ok 11523
180: ok 11524
180: ok 11525
180: ok 11526
180: ok 11527
180: ok 11528
180: ok 11529
180: ok 11530
180: ok 11531
180: ok 11532
180: ok 11533
180: ok 11534
180: ok 11535
180: ok 11536
180: ok 11537
180: ok 11538
180: ok 11539
180: ok 11540
180: ok 11541
180: ok 11542
180: ok 11543
180: ok 11544
180: ok 11545
180: ok 11546
180: ok 11547
180: ok 11548
180: ok 11549
180: ok 11550
180: ok 11551
180: ok 11552
180: ok 11553
180: ok 11554
180: ok 11555
180: ok 11556
180: ok 11557
180: ok 11558
180: ok 11559
180: ok 11560
180: ok 11561
180: ok 11562
180: ok 11563
180: ok 11564
180: ok 11565
180: ok 11566
180: ok 11567
180: ok 11568
180: ok 11569
180: ok 11570
180: ok 11571
180: ok 11572
180: ok 11573
180: ok 11574
180: ok 11575
180: ok 11576
180: ok 11577
180: ok 11578
180: ok 11579
180: ok 11580
180: ok 11581
180: ok 11582
180: ok 11583
180: ok 11584
180: ok 11585
180: ok 11586
180: ok 11587
180: ok 11588
180: ok 11589
180: ok 11590
180: ok 11591
180: ok 11592
180: ok 11593
180: ok 11594
180: ok 11595
180: ok 11596
180: ok 11597
180: ok 11598
180: ok 11599
180: ok 11600
180: ok 11601
180: ok 11602
180: ok 11603
180: ok 11604
180: ok 11605
180: ok 11606
180: ok 11607
180: ok 11608
180: ok 11609
180: ok 11610
180: ok 11611
180: ok 11612
180: ok 11613
180: ok 11614
180: ok 11615
180: ok 11616
180: ok 11617
180: ok 11618
180: ok 11619
180: ok 11620
180: ok 11621
180: ok 11622
180: ok 11623
180: ok 11624
180: ok 11625
180: ok 11626
180: ok 11627
180: ok 11628
180: ok 11629
180: ok 11630
180: ok 11631
180: ok 11632
180: ok 11633
180: ok 11634
180: ok 11635
180: ok 11636
180: ok 11637
180: ok 11638
180: ok 11639
180: ok 11640
180: ok 11641
180: ok 11642
180: ok 11643
180: ok 11644
180: ok 11645
180: ok 11646
180: ok 11647
180: ok 11648
180: ok 11649
180: ok 11650
180: ok 11651
180: ok 11652
180: ok 11653
180: ok 11654
180: ok 11655
180: ok 11656
180: ok 11657
180: ok 11658
180: ok 11659
180: ok 11660
180: ok 11661
180: ok 11662
180: ok 11663
180: ok 11664
180: ok 11665
180: ok 11666
180: ok 11667
180: ok 11668
180: ok 11669
180: ok 11670
180: ok 11671
180: ok 11672
180: ok 11673
180: ok 11674
180: ok 11675
180: ok 11676
180: ok 11677
180: ok 11678
180: ok 11679
180: ok 11680
180: ok 11681
180: ok 11682
180: ok 11683
180: ok 11684
180: ok 11685
180: ok 11686
180: ok 11687
180: ok 11688
180: ok 11689
180: ok 11690
180: ok 11691
180: ok 11692
180: ok 11693
180: ok 11694
180: ok 11695
180: ok 11696
180: ok 11697
180: ok 11698
180: ok 11699
180: ok 11700
180: ok 11701
180: ok 11702
180: ok 11703
180: ok 11704
180: ok 11705
180: ok 11706
180: ok 11707
180: ok 11708
180: ok 11709
180: ok 11710
180: ok 11711
180: ok 11712
180: ok 11713
180: ok 11714
180: ok 11715
180: ok 11716
180: ok 11717
180: ok 11718
180: ok 11719
180: ok 11720
180: ok 11721
180: ok 11722
180: ok 11723
180: ok 11724
180: ok 11725
180: ok 11726
180: ok 11727
180: ok 11728
180: ok 11729
180: ok 11730
180: ok 11731
180: ok 11732
180: ok 11733
180: ok 11734
180: ok 11735
180: ok 11736
180: ok 11737
180: ok 11738
180: ok 11739
180: ok 11740
180: ok 11741
180: ok 11742
180: ok 11743
180: ok 11744
180: ok 11745
180: ok 11746
180: ok 11747
180: ok 11748
180: ok 11749
180: ok 11750
180: ok 11751
180: ok 11752
180: ok 11753
180: ok 11754
180: ok 11755
180: ok 11756
180: ok 11757
180: ok 11758
180: ok 11759
180: ok 11760
180: ok 11761
180: ok 11762
180: ok 11763
180: ok 11764
180: ok 11765
180: ok 11766
180: ok 11767
180: ok 11768
180: ok 11769
180: ok 11770
180: ok 11771
180: ok 11772
180: ok 11773
180: ok 11774
180: ok 11775
180: ok 11776
180: ok 11777
180: ok 11778
180: ok 11779
180: ok 11780
180: ok 11781
180: ok 11782
180: ok 11783
180: ok 11784
180: ok 11785
180: ok 11786
180: ok 11787
180: ok 11788
180: ok 11789
180: ok 11790
180: ok 11791
180: ok 11792
180: ok 11793
180: ok 11794
180: ok 11795
180: ok 11796
180: ok 11797
180: ok 11798
180: ok 11799
180: ok 11800
180: ok 11801
180: ok 11802
180: ok 11803
180: ok 11804
180: ok 11805
180: ok 11806
180: ok 11807
180: ok 11808
180: ok 11809
180: ok 11810
180: ok 11811
180: ok 11812
180: ok 11813
180: ok 11814
180: ok 11815
180: ok 11816
180: ok 11817
180: ok 11818
180: ok 11819
180: ok 11820
180: ok 11821
180: ok 11822
180: ok 11823
180: ok 11824
180: ok 11825
180: ok 11826
180: ok 11827
180: ok 11828
180: ok 11829
180: ok 11830
180: ok 11831
180: ok 11832
180: ok 11833
180: ok 11834
180: ok 11835
180: ok 11836
180: ok 11837
180: ok 11838
180: ok 11839
180: ok 11840
180: ok 11841
180: ok 11842
180: ok 11843
180: ok 11844
180: ok 11845
180: ok 11846
180: ok 11847
180: ok 11848
180: ok 11849
180: ok 11850
180: ok 11851
180: ok 11852
180: ok 11853
180: ok 11854
180: ok 11855
180: ok 11856
180: ok 11857
180: ok 11858
180: ok 11859
180: ok 11860
180: ok 11861
180: ok 11862
180: ok 11863
180: ok 11864
180: ok 11865
180: ok 11866
180: ok 11867
180: ok 11868
180: ok 11869
180: ok 11870
180: ok 11871
180: ok 11872
180: ok 11873
180: ok 11874
180: ok 11875
180: ok 11876
180: ok 11877
180: ok 11878
180: ok 11879
180: ok 11880
180: ok 11881
180: ok 11882
180: ok 11883
180: ok 11884
180: ok 11885
180: ok 11886
180: ok 11887
180: ok 11888
180: ok 11889
180: ok 11890
180: ok 11891
180: ok 11892
180: ok 11893
180: ok 11894
180: ok 11895
180: ok 11896
180: ok 11897
180: ok 11898
180: ok 11899
180: ok 11900
180: ok 11901
180: ok 11902
180: ok 11903
180: ok 11904
180: ok 11905
180: ok 11906
180: ok 11907
180: ok 11908
180: ok 11909
180: ok 11910
180: ok 11911
180: ok 11912
180: ok 11913
180: ok 11914
180: ok 11915
180: ok 11916
180: ok 11917
180: ok 11918
180: ok 11919
180: ok 11920
180: ok 11921
180: ok 11922
180: ok 11923
180: ok 11924
180: ok 11925
180: ok 11926
180: ok 11927
180: ok 11928
180: ok 11929
180: ok 11930
180: ok 11931
180: ok 11932
180: ok 11933
180: ok 11934
180: ok 11935
180: ok 11936
180: ok 11937
180: ok 11938
180: ok 11939
180: ok 11940
180: ok 11941
180: ok 11942
180: ok 11943
180: ok 11944
180: ok 11945
180: ok 11946
180: ok 11947
180: ok 11948
180: ok 11949
180: ok 11950
180: ok 11951
180: ok 11952
180: ok 11953
180: ok 11954
180: ok 11955
180: ok 11956
180: ok 11957
180: ok 11958
180: ok 11959
180: ok 11960
180: ok 11961
180: ok 11962
180: ok 11963
180: ok 11964
180: ok 11965
180: ok 11966
180: ok 11967
180: ok 11968
180: ok 11969
180: ok 11970
180: ok 11971
180: ok 11972
180: ok 11973
180: ok 11974
180: ok 11975
180: ok 11976
180: ok 11977
180: ok 11978
180: ok 11979
180: ok 11980
180: ok 11981
180: ok 11982
180: ok 11983
180: ok 11984
180: ok 11985
180: ok 11986
180: ok 11987
180: ok 11988
180: ok 11989
180: ok 11990
180: ok 11991
180: ok 11992
180: ok 11993
180: ok 11994
180: ok 11995
180: ok 11996
180: ok 11997
180: ok 11998
180: ok 11999
180: ok 12000
180: ok 12001
180: ok 12002
180: ok 12003
180: ok 12004
180: ok 12005
180: ok 12006
180: ok 12007
180: ok 12008
180: ok 12009
180: ok 12010
180: ok 12011
180: ok 12012
180: ok 12013
180: ok 12014
180: ok 12015
180: ok 12016
180: ok 12017
180: ok 12018
180: ok 12019
180: ok 12020
180: ok 12021
180: ok 12022
180: ok 12023
180: ok 12024
180: ok 12025
180: ok 12026
180: ok 12027
180: ok 12028
180: ok 12029
180: ok 12030
180: ok 12031
180: ok 12032
180: ok 12033
180: ok 12034
180: ok 12035
180: ok 12036
180: ok 12037
180: ok 12038
180: ok 12039
180: ok 12040
180: ok 12041
180: ok 12042
180: ok 12043
180: ok 12044
180: ok 12045
180: ok 12046
180: ok 12047
180: ok 12048
180: ok 12049
180: ok 12050
180: ok 12051
180: ok 12052
180: ok 12053
180: ok 12054
180: ok 12055
180: ok 12056
180: ok 12057
180: ok 12058
180: ok 12059
180: ok 12060
180: ok 12061
180: ok 12062
180: ok 12063
180: ok 12064
180: ok 12065
180: ok 12066
180: ok 12067
180: ok 12068
180: ok 12069
180: ok 12070
180: ok 12071
180: ok 12072
180: ok 12073
180: ok 12074
180: ok 12075
180: ok 12076
180: ok 12077
180: ok 12078
180: ok 12079
180: ok 12080
180: ok 12081
180: ok 12082
180: ok 12083
180: ok 12084
180: ok 12085
180: ok 12086
180: ok 12087
180: ok 12088
180: ok 12089
180: ok 12090
180: ok 12091
180: ok 12092
180: ok 12093
180: ok 12094
180: ok 12095
180: ok 12096
180: ok 12097
180: ok 12098
180: ok 12099
180: ok 12100
180: ok 12101
180: ok 12102
180: ok 12103
180: ok 12104
180: ok 12105
180: ok 12106
180: ok 12107
180: ok 12108
180: ok 12109
180: ok 12110
180: ok 12111
180: ok 12112
180: ok 12113
180: ok 12114
180: ok 12115
180: ok 12116
180: ok 12117
180: ok 12118
180: ok 12119
180: ok 12120
180: ok 12121
180: ok 12122
180: ok 12123
180: ok 12124
180: ok 12125
180: ok 12126
180: ok 12127
180: ok 12128
180: ok 12129
180: ok 12130
180: ok 12131
180: ok 12132
180: ok 12133
180: ok 12134
180: ok 12135
180: ok 12136
180: ok 12137
180: ok 12138
180: ok 12139
180: ok 12140
180: ok 12141
180: ok 12142
180: ok 12143
180: ok 12144
180: ok 12145
180: ok 12146
180: ok 12147
180: ok 12148
180: ok 12149
180: ok 12150
180: ok 12151
180: ok 12152
180: ok 12153
180: ok 12154
180: ok 12155
180: ok 12156
180: ok 12157
180: ok 12158
180: ok 12159
180: ok 12160
180: ok 12161
180: ok 12162
180: ok 12163
180: ok 12164
180: ok 12165
180: ok 12166
180: ok 12167
180: ok 12168
180: ok 12169
180: ok 12170
180: ok 12171
180: ok 12172
180: ok 12173
180: ok 12174
180: ok 12175
180: ok 12176
180: ok 12177
180: ok 12178
180: ok 12179
180: ok 12180
180: ok 12181
180: ok 12182
180: ok 12183
180: ok 12184
180: ok 12185
180: ok 12186
180: ok 12187
180: ok 12188
180: ok 12189
180: ok 12190
180: ok 12191
180: ok 12192
180: ok 12193
180: ok 12194
180: ok 12195
180: ok 12196
180: ok 12197
180: ok 12198
180: ok 12199
180: ok 12200
180: ok 12201
180: ok 12202
180: ok 12203
180: ok 12204
180: ok 12205
180: ok 12206
180: ok 12207
180: ok 12208
180: ok 12209
180: ok 12210
180: ok 12211
180: ok 12212
180: ok 12213
180: ok 12214
180: ok 12215
180: ok 12216
180: ok 12217
180: ok 12218
180: ok 12219
180: ok 12220
180: ok 12221
180: ok 12222
180: ok 12223
180: ok 12224
180: ok 12225
180: ok 12226
180: ok 12227
180: ok 12228
180: ok 12229
180: ok 12230
180: ok 12231
180: ok 12232
180: ok 12233
180: ok 12234
180: ok 12235
180: ok 12236
180: ok 12237
180: ok 12238
180: ok 12239
180: ok 12240
180: ok 12241
180: ok 12242
180: ok 12243
180: ok 12244
180: ok 12245
180: ok 12246
180: ok 12247
180: ok 12248
180: ok 12249
180: ok 12250
180: ok 12251
180: ok 12252
180: ok 12253
180: ok 12254
180: ok 12255
180: ok 12256
180: ok 12257
180: ok 12258
180: ok 12259
180: ok 12260
180: ok 12261
180: ok 12262
180: ok 12263
180: ok 12264
180: ok 12265
180: ok 12266
180: ok 12267
180: ok 12268
180: ok 12269
180: ok 12270
180: ok 12271
180: ok 12272
180: ok 12273
180: ok 12274
180: ok 12275
180: ok 12276
180: ok 12277
180: ok 12278
180: ok 12279
180: ok 12280
180: ok 12281
180: ok 12282
180: ok 12283
180: ok 12284
180: ok 12285
180: ok 12286
180: ok 12287
180: ok 12288
180: ok 12289
180: ok 12290
180: ok 12291
180: ok 12292
180: ok 12293
180: ok 12294
180: ok 12295
180: ok 12296
180: ok 12297
180: ok 12298
180: ok 12299
180: ok 12300
180: ok 12301
180: ok 12302
180: ok 12303
180: ok 12304
180: ok 12305
180: ok 12306
180: ok 12307
180: ok 12308
180: ok 12309
180: ok 12310
180: ok 12311
180: ok 12312
180: ok 12313
180: ok 12314
180: ok 12315
180: ok 12316
180: ok 12317
180: ok 12318
180: ok 12319
180: ok 12320
180: ok 12321
180: ok 12322
180: ok 12323
180: ok 12324
180: ok 12325
180: ok 12326
180: ok 12327
180: ok 12328
180: ok 12329
180: ok 12330
180: ok 12331
180: ok 12332
180: ok 12333
180: ok 12334
180: ok 12335
180: ok 12336
180: ok 12337
180: ok 12338
180: ok 12339
180: ok 12340
180: ok 12341
180: ok 12342
180: ok 12343
180: ok 12344
180: ok 12345
180: ok 12346
180: ok 12347
180: ok 12348
180: ok 12349
180: ok 12350
180: ok 12351
180: ok 12352
180: ok 12353
180: ok 12354
180: ok 12355
180: ok 12356
180: ok 12357
180: ok 12358
180: ok 12359
180: ok 12360
180: ok 12361
180: ok 12362
180: ok 12363
180: ok 12364
180: ok 12365
180: ok 12366
180: ok 12367
180: ok 12368
180: ok 12369
180: ok 12370
180: ok 12371
180: ok 12372
180: ok 12373
180: ok 12374
180: ok 12375
180: ok 12376
180: ok 12377
180: ok 12378
180: ok 12379
180: ok 12380
180: ok 12381
180: ok 12382
180: ok 12383
180: ok 12384
180: ok 12385
180: ok 12386
180: ok 12387
180: ok 12388
180: ok 12389
180: ok 12390
180: ok 12391
180: ok 12392
180: ok 12393
180: ok 12394
180: ok 12395
180: ok 12396
180: ok 12397
180: ok 12398
180: ok 12399
180: ok 12400
180: ok 12401
180: ok 12402
180: ok 12403
180: ok 12404
180: ok 12405
180: ok 12406
180: ok 12407
180: ok 12408
180: ok 12409
180: ok 12410
180: ok 12411
180: ok 12412
180: ok 12413
180: ok 12414
180: ok 12415
180: ok 12416
180: ok 12417
180: ok 12418
180: ok 12419
180: ok 12420
180: ok 12421
180: ok 12422
180: ok 12423
180: ok 12424
180: ok 12425
180: ok 12426
180: ok 12427
180: ok 12428
180: ok 12429
180: ok 12430
180: ok 12431
180: ok 12432
180: ok 12433
180: ok 12434
180: ok 12435
180: ok 12436
180: ok 12437
180: ok 12438
180: ok 12439
180: ok 12440
180: ok 12441
180: ok 12442
180: ok 12443
180: ok 12444
180: ok 12445
180: ok 12446
180: ok 12447
180: ok 12448
180: ok 12449
180: ok 12450
180: ok 12451
180: ok 12452
180: ok 12453
180: ok 12454
180: ok 12455
180: ok 12456
180: ok 12457
180: ok 12458
180: ok 12459
180: ok 12460
180: ok 12461
180: ok 12462
180: ok 12463
180: ok 12464
180: ok 12465
180: ok 12466
180: ok 12467
180: ok 12468
180: ok 12469
180: ok 12470
180: ok 12471
180: ok 12472
180: ok 12473
180: ok 12474
180: ok 12475
180: ok 12476
180: ok 12477
180: ok 12478
180: ok 12479
180: ok 12480
180: ok 12481
180: ok 12482
180: ok 12483
180: ok 12484
180: ok 12485
180: ok 12486
180: ok 12487
180: ok 12488
180: ok 12489
180: ok 12490
180: ok 12491
180: ok 12492
180: ok 12493
180: ok 12494
180: ok 12495
180: ok 12496
180: ok 12497
180: ok 12498
180: ok 12499
180: ok 12500
180: ok 12501
180: ok 12502
180: ok 12503
180: ok 12504
180: ok 12505
180: ok 12506
180: ok 12507
180: ok 12508
180: ok 12509
180: ok 12510
180: ok 12511
180: ok 12512
180: ok 12513
180: ok 12514
180: ok 12515
180: ok 12516
180: ok 12517
180: ok 12518
180: ok 12519
180: ok 12520
180: ok 12521
180: ok 12522
180: ok 12523
180: ok 12524
180: ok 12525
180: ok 12526
180: ok 12527
180: ok 12528
180: ok 12529
180: ok 12530
180: ok 12531
180: ok 12532
180: ok 12533
180: ok 12534
180: ok 12535
180: ok 12536
180: ok 12537
180: ok 12538
180: ok 12539
180: ok 12540
180: ok 12541
180: ok 12542
180: ok 12543
180: ok 12544
180: ok 12545
180: ok 12546
180: ok 12547
180: ok 12548
180: ok 12549
180: ok 12550
180: ok 12551
180: ok 12552
180: ok 12553
180: ok 12554
180: ok 12555
180: ok 12556
180: ok 12557
180: ok 12558
180: ok 12559
180: ok 12560
180: ok 12561
180: ok 12562
180: ok 12563
180: ok 12564
180: ok 12565
180: ok 12566
180: ok 12567
180: ok 12568
180: ok 12569
180: ok 12570
180: ok 12571
180: ok 12572
180: ok 12573
180: ok 12574
180: ok 12575
180: ok 12576
180: ok 12577
180: ok 12578
180: ok 12579
180: ok 12580
180: ok 12581
180: ok 12582
180: ok 12583
180: ok 12584
180: ok 12585
180: ok 12586
180: ok 12587
180: ok 12588
180: ok 12589
180: ok 12590
180: ok 12591
180: ok 12592
180: ok 12593
180: ok 12594
180: ok 12595
180: ok 12596
180: ok 12597
180: ok 12598
180: ok 12599
180: ok 12600
180: ok 12601
180: ok 12602
180: ok 12603
180: ok 12604
180: ok 12605
180: ok 12606
180: ok 12607
180: ok 12608
180: ok 12609
180: ok 12610
180: ok 12611
180: ok 12612
180: ok 12613
180: ok 12614
180: ok 12615
180: ok 12616
180: ok 12617
180: ok 12618
180: ok 12619
180: ok 12620
180: ok 12621
180: ok 12622
180: ok 12623
180: ok 12624
180: ok 12625
180: ok 12626
180: ok 12627
180: ok 12628
180: ok 12629
180: ok 12630
180: ok 12631
180: ok 12632
180: ok 12633
180: ok 12634
180: ok 12635
180: ok 12636
180: ok 12637
180: ok 12638
180: ok 12639
180: ok 12640
180: ok 12641
180: ok 12642
180: ok 12643
180: ok 12644
180: ok 12645
180: ok 12646
180: ok 12647
180: ok 12648
180: ok 12649
180: ok 12650
180: ok 12651
180: ok 12652
180: ok 12653
180: ok 12654
180: ok 12655
180: ok 12656
180: ok 12657
180: ok 12658
180: ok 12659
180: ok 12660
180: ok 12661
180: ok 12662
180: ok 12663
180: ok 12664
180: ok 12665
180: ok 12666
180: ok 12667
180: ok 12668
180: ok 12669
180: ok 12670
180: ok 12671
180: ok 12672
180: ok 12673
180: ok 12674
180: ok 12675
180: ok 12676
180: ok 12677
180: ok 12678
180: ok 12679
180: ok 12680
180: ok 12681
180: ok 12682
180: ok 12683
180: ok 12684
180: ok 12685
180: ok 12686
180: ok 12687
180: ok 12688
180: ok 12689
180: ok 12690
180: ok 12691
180: ok 12692
180: ok 12693
180: ok 12694
180: ok 12695
180: ok 12696
180: ok 12697
180: ok 12698
180: ok 12699
180: ok 12700
180: ok 12701
180: ok 12702
180: ok 12703
180: ok 12704
180: ok 12705
180: ok 12706
180: ok 12707
180: ok 12708
180: ok 12709
180: ok 12710
180: ok 12711
180: ok 12712
180: ok 12713
180: ok 12714
180: ok 12715
180: ok 12716
180: ok 12717
180: ok 12718
180: ok 12719
180: ok 12720
180: ok 12721
180: ok 12722
180: ok 12723
180: ok 12724
180: ok 12725
180: ok 12726
180: ok 12727
180: ok 12728
180: ok 12729
180: ok 12730
180: ok 12731
180: ok 12732
180: ok 12733
180: ok 12734
180: ok 12735
180: ok 12736
180: ok 12737
180: ok 12738
180: ok 12739
180: ok 12740
180: ok 12741
180: ok 12742
180: ok 12743
180: ok 12744
180: ok 12745
180: ok 12746
180: ok 12747
180: ok 12748
180: ok 12749
180: ok 12750
180: ok 12751
180: ok 12752
180: ok 12753
180: ok 12754
180: ok 12755
180: ok 12756
180: ok 12757
180: ok 12758
180: ok 12759
180: ok 12760
180: ok 12761
180: ok 12762
180: ok 12763
180: ok 12764
180: ok 12765
180: ok 12766
180: ok 12767
180: ok 12768
180: ok 12769
180: ok 12770
180: ok 12771
180: ok 12772
180: ok 12773
180: ok 12774
180: ok 12775
180: ok 12776
180: ok 12777
180: ok 12778
180: ok 12779
180: ok 12780
180: ok 12781
180: ok 12782
180: ok 12783
180: ok 12784
180: ok 12785
180: ok 12786
180: ok 12787
180: ok 12788
180: ok 12789
180: ok 12790
180: ok 12791
180: ok 12792
180: ok 12793
180: ok 12794
180: ok 12795
180: ok 12796
180: ok 12797
180: ok 12798
180: ok 12799
180: ok 12800
180: ok 12801
180: ok 12802
180: ok 12803
180: ok 12804
180: ok 12805
180: ok 12806
180: ok 12807
180: ok 12808
180: ok 12809
180: ok 12810
180: ok 12811
180: ok 12812
180: ok 12813
180: ok 12814
180: ok 12815
180: ok 12816
180: ok 12817
180: ok 12818
180: ok 12819
180: ok 12820
180: ok 12821
180: ok 12822
180: ok 12823
180: ok 12824
180: ok 12825
180: ok 12826
180: ok 12827
180: ok 12828
180: ok 12829
180: ok 12830
180: ok 12831
180: ok 12832
180: ok 12833
180: ok 12834
180: ok 12835
180: ok 12836
180: ok 12837
180: ok 12838
180: ok 12839
180: ok 12840
180: ok 12841
180: ok 12842
180: ok 12843
180: ok 12844
180: ok 12845
180: ok 12846
180: ok 12847
180: ok 12848
180: ok 12849
180: ok 12850
180: ok 12851
180: ok 12852
180: ok 12853
180: ok 12854
180: ok 12855
180: ok 12856
180: ok 12857
180: ok 12858
180: ok 12859
180: ok 12860
180: ok 12861
180: ok 12862
180: ok 12863
180: ok 12864
180: ok 12865
180: ok 12866
180: ok 12867
180: ok 12868
180: ok 12869
180: ok 12870
180: ok 12871
180: ok 12872
180: ok 12873
180: ok 12874
180: ok 12875
180: ok 12876
180: ok 12877
180: ok 12878
180: ok 12879
180: ok 12880
180: ok 12881
180: ok 12882
180: ok 12883
180: ok 12884
180: ok 12885
180: ok 12886
180: ok 12887
180: ok 12888
180: ok 12889
180: ok 12890
180: ok 12891
180: ok 12892
180: ok 12893
180: ok 12894
180: ok 12895
180: ok 12896
180: ok 12897
180: ok 12898
180: ok 12899
180: ok 12900
180: ok 12901
180: ok 12902
180: ok 12903
180: ok 12904
180: ok 12905
180: ok 12906
180: ok 12907
180: ok 12908
180: ok 12909
180: ok 12910
180: ok 12911
180: ok 12912
180: ok 12913
180: ok 12914
180: ok 12915
180: ok 12916
180: ok 12917
180: ok 12918
180: ok 12919
180: ok 12920
180: ok 12921
180: ok 12922
180: ok 12923
180: ok 12924
180: ok 12925
180: ok 12926
180: ok 12927
180: ok 12928
180: ok 12929
180: ok 12930
180: ok 12931
180: ok 12932
180: ok 12933
180: ok 12934
180: ok 12935
180: ok 12936
180: ok 12937
180: ok 12938
180: ok 12939
180: ok 12940
180: ok 12941
180: ok 12942
180: ok 12943
180: ok 12944
180: ok 12945
180: ok 12946
180: ok 12947
180: ok 12948
180: ok 12949
180: ok 12950
180: ok 12951
180: ok 12952
180: ok 12953
180: ok 12954
180: ok 12955
180: ok 12956
180: ok 12957
180: ok 12958
180: ok 12959
180: ok 12960
180: ok 12961
180: ok 12962
180: ok 12963
180: ok 12964
180: ok 12965
180: ok 12966
180: ok 12967
180: ok 12968
180: ok 12969
180: ok 12970
180: ok 12971
180: ok 12972
180: ok 12973
180: ok 12974
180: ok 12975
180: ok 12976
180: ok 12977
180: ok 12978
180: ok 12979
180: ok 12980
180: ok 12981
180: ok 12982
180: ok 12983
180: ok 12984
180: ok 12985
180: ok 12986
180: ok 12987
180: ok 12988
180: ok 12989
180: ok 12990
180: ok 12991
180: ok 12992
180: ok 12993
180: ok 12994
180: ok 12995
180: ok 12996
180: ok 12997
180: ok 12998
180: ok 12999
180: ok 13000
180: ok 13001
180: ok 13002
180: ok 13003
180: ok 13004
180: ok 13005
180: ok 13006
180: ok 13007
180: ok 13008
180: ok 13009
180: ok 13010
180: ok 13011
180: ok 13012
180: ok 13013
180: ok 13014
180: ok 13015
180: ok 13016
180: ok 13017
180: ok 13018
180: ok 13019
180: ok 13020
180: ok 13021
180: ok 13022
180: ok 13023
180: ok 13024
180: ok 13025
180: ok 13026
180: ok 13027
180: ok 13028
180: ok 13029
180: ok 13030
180: ok 13031
180: ok 13032
180: ok 13033
180: ok 13034
180: ok 13035
180: ok 13036
180: ok 13037
180: ok 13038
180: ok 13039
180: ok 13040
180: ok 13041
180: ok 13042
180: ok 13043
180: ok 13044
180: ok 13045
180: ok 13046
180: ok 13047
180: ok 13048
180: ok 13049
180: ok 13050
180: ok 13051
180: ok 13052
180: ok 13053
180: ok 13054
180: ok 13055
180: ok 13056
180: ok 13057
180: ok 13058
180: ok 13059
180: ok 13060
180: ok 13061
180: ok 13062
180: ok 13063
180: ok 13064
180: ok 13065
180: ok 13066
180: ok 13067
180: ok 13068
180: ok 13069
180: ok 13070
180: ok 13071
180: ok 13072
180: ok 13073
180: ok 13074
180: ok 13075
180: ok 13076
180: ok 13077
180: ok 13078
180: ok 13079
180: ok 13080
180: ok 13081
180: ok 13082
180: ok 13083
180: ok 13084
180: ok 13085
180: ok 13086
180: ok 13087
180: ok 13088
180: ok 13089
180: ok 13090
180: ok 13091
180: ok 13092
180: ok 13093
180: ok 13094
180: ok 13095
180: ok 13096
180: ok 13097
180: ok 13098
180: ok 13099
180: ok 13100
180: ok 13101
180: ok 13102
180: ok 13103
180: ok 13104
180: ok 13105
180: ok 13106
180: ok 13107
180: ok 13108
180: ok 13109
180: ok 13110
180: ok 13111
180: ok 13112
180: ok 13113
180: ok 13114
180: ok 13115
180: ok 13116
180: ok 13117
180: ok 13118
180: ok 13119
180: ok 13120
180: ok 13121
180: ok 13122
180: ok 13123
180: ok 13124
180: ok 13125
180: ok 13126
180: ok 13127
180: ok 13128
180: ok 13129
180: ok 13130
180: ok 13131
180: ok 13132
180: ok 13133
180: ok 13134
180: ok 13135
180: ok 13136
180: ok 13137
180: ok 13138
180: ok 13139
180: ok 13140
180: ok 13141
180: ok 13142
180: ok 13143
180: ok 13144
180: ok 13145
180: ok 13146
180: ok 13147
180: ok 13148
180: ok 13149
180: ok 13150
180: ok 13151
180: ok 13152
180: ok 13153
180: ok 13154
180: ok 13155
180: ok 13156
180: ok 13157
180: ok 13158
180: ok 13159
180: ok 13160
180: ok 13161
180: ok 13162
180: ok 13163
180: ok 13164
180: ok 13165
180: ok 13166
180: ok 13167
180: ok 13168
180: ok 13169
180: ok 13170
180: ok 13171
180: ok 13172
180: ok 13173
180: ok 13174
180: ok 13175
180: ok 13176
180: ok 13177
180: ok 13178
180: ok 13179
180: ok 13180
180: ok 13181
180: ok 13182
180: ok 13183
180: ok 13184
180: ok 13185
180: ok 13186
180: ok 13187
180: ok 13188
180: ok 13189
180: ok 13190
180: ok 13191
180: ok 13192
180: ok 13193
180: ok 13194
180: ok 13195
180: ok 13196
180: ok 13197
180: ok 13198
180: ok 13199
180: ok 13200
180: ok 13201
180: ok 13202
180: ok 13203
180: ok 13204
180: ok 13205
180: ok 13206
180: ok 13207
180: ok 13208
180: ok 13209
180: ok 13210
180: ok 13211
180: ok 13212
180: ok 13213
180: ok 13214
180: ok 13215
180: ok 13216
180: ok 13217
180: ok 13218
180: ok 13219
180: ok 13220
180: ok 13221
180: ok 13222
180: ok 13223
180: ok 13224
180: ok 13225
180: ok 13226
180: ok 13227
180: ok 13228
180: ok 13229
180: ok 13230
180: ok 13231
180: ok 13232
180: ok 13233
180: ok 13234
180: ok 13235
180: ok 13236
180: ok 13237
180: ok 13238
180: ok 13239
180: ok 13240
180: ok 13241
180: ok 13242
180: ok 13243
180: ok 13244
180: ok 13245
180: ok 13246
180: ok 13247
180: ok 13248
180: ok 13249
180: ok 13250
180: ok 13251
180: ok 13252
180: ok 13253
180: ok 13254
180: ok 13255
180: ok 13256
180: ok 13257
180: ok 13258
180: ok 13259
180: ok 13260
180: ok 13261
180: ok 13262
180: ok 13263
180: ok 13264
180: ok 13265
180: ok 13266
180: ok 13267
180: ok 13268
180: ok 13269
180: ok 13270
180: ok 13271
180: ok 13272
180: ok 13273
180: ok 13274
180: ok 13275
180: ok 13276
180: ok 13277
180: ok 13278
180: ok 13279
180: ok 13280
180: ok 13281
180: ok 13282
180: ok 13283
180: ok 13284
180: ok 13285
180: ok 13286
180: ok 13287
180: ok 13288
180: ok 13289
180: ok 13290
180: ok 13291
180: ok 13292
180: ok 13293
180: ok 13294
180: ok 13295
180: ok 13296
180: ok 13297
180: ok 13298
180: ok 13299
180: ok 13300
180: ok 13301
180: ok 13302
180: ok 13303
180: ok 13304
180: ok 13305
180: ok 13306
180: ok 13307
180: ok 13308
180: ok 13309
180: ok 13310
180: ok 13311
180: ok 13312
180: ok 13313
180: ok 13314
180: ok 13315
180: ok 13316
180: ok 13317
180: ok 13318
180: ok 13319
180: ok 13320
180: ok 13321
180: ok 13322
180: ok 13323
180: ok 13324
180: ok 13325
180: ok 13326
180: ok 13327
180: ok 13328
180: ok 13329
180: ok 13330
180: ok 13331
180: ok 13332
180: ok 13333
180: ok 13334
180: ok 13335
180: ok 13336
180: ok 13337
180: ok 13338
180: ok 13339
180: ok 13340
180: ok 13341
180: ok 13342
180: ok 13343
180: ok 13344
180: ok 13345
180: ok 13346
180: ok 13347
180: ok 13348
180: ok 13349
180: ok 13350
180: ok 13351
180: ok 13352
180: ok 13353
180: ok 13354
180: ok 13355
180: ok 13356
180: ok 13357
180: ok 13358
180: ok 13359
180: ok 13360
180: ok 13361
180: ok 13362
180: ok 13363
180: ok 13364
180: ok 13365
180: ok 13366
180: ok 13367
180: ok 13368
180: ok 13369
180: ok 13370
180: ok 13371
180: ok 13372
180: ok 13373
180: ok 13374
180: ok 13375
180: ok 13376
180: ok 13377
180: ok 13378
180: ok 13379
180: ok 13380
180: ok 13381
180: ok 13382
180: ok 13383
180: ok 13384
180: ok 13385
180: ok 13386
180: ok 13387
180: ok 13388
180: ok 13389
180: ok 13390
180: ok 13391
180: ok 13392
180: ok 13393
180: ok 13394
180: ok 13395
180: ok 13396
180: ok 13397
180: ok 13398
180: ok 13399
180: ok 13400
180: ok 13401
180: ok 13402
180: ok 13403
180: ok 13404
180: ok 13405
180: ok 13406
180: ok 13407
180: ok 13408
180: ok 13409
180: ok 13410
180: ok 13411
180: ok 13412
180: ok 13413
180: ok 13414
180: ok 13415
180: ok 13416
180: ok 13417
180: ok 13418
180: ok 13419
180: ok 13420
180: ok 13421
180: ok 13422
180: ok 13423
180: ok 13424
180: ok 13425
180: ok 13426
180: ok 13427
180: ok 13428
180: ok 13429
180: ok 13430
180: ok 13431
180: ok 13432
180: ok 13433
180: ok 13434
180: ok 13435
180: ok 13436
180: ok 13437
180: ok 13438
180: ok 13439
180: ok 13440
180: ok 13441
180: ok 13442
180: ok 13443
180: ok 13444
180: ok 13445
180: ok 13446
180: ok 13447
180: ok 13448
180: ok 13449
180: ok 13450
180: ok 13451
180: ok 13452
180: ok 13453
180: ok 13454
180: ok 13455
180: ok 13456
180: ok 13457
180: ok 13458
180: ok 13459
180: ok 13460
180: ok 13461
180: ok 13462
180: ok 13463
180: ok 13464
180: ok 13465
180: ok 13466
180: ok 13467
180: ok 13468
180: ok 13469
180: ok 13470
180: ok 13471
180: ok 13472
180: ok 13473
180: ok 13474
180: ok 13475
180: ok 13476
180: ok 13477
180: ok 13478
180: ok 13479
180: ok 13480
180: ok 13481
180: ok 13482
180: ok 13483
180: ok 13484
180: ok 13485
180: ok 13486
180: ok 13487
180: ok 13488
180: ok 13489
180: ok 13490
180: ok 13491
180: ok 13492
180: ok 13493
180: ok 13494
180: ok 13495
180: ok 13496
180: ok 13497
180: ok 13498
180: ok 13499
180: ok 13500
180: ok 13501
180: ok 13502
180: ok 13503
180: ok 13504
180: ok 13505
180: ok 13506
180: ok 13507
180: ok 13508
180: ok 13509
180: ok 13510
180: ok 13511
180: ok 13512
180: ok 13513
180: ok 13514
180: ok 13515
180: ok 13516
180: ok 13517
180: ok 13518
180: ok 13519
180: ok 13520
180: ok 13521
180: ok 13522
180: ok 13523
180: ok 13524
180: ok 13525
180: ok 13526
180: ok 13527
180: ok 13528
180: ok 13529
180: ok 13530
180: ok 13531
180: ok 13532
180: ok 13533
180: ok 13534
180: ok 13535
180: ok 13536
180: ok 13537
180: ok 13538
180: ok 13539
180: ok 13540
180: ok 13541
180: ok 13542
180: ok 13543
180: ok 13544
180: ok 13545
180: ok 13546
180: ok 13547
180: ok 13548
180: ok 13549
180: ok 13550
180: ok 13551
180: ok 13552
180: ok 13553
180: ok 13554
180: ok 13555
180: ok 13556
180: ok 13557
180: ok 13558
180: ok 13559
180: ok 13560
180: ok 13561
180: ok 13562
180: ok 13563
180: ok 13564
180: ok 13565
180: ok 13566
180: ok 13567
180: ok 13568
180: ok 13569
180: ok 13570
180: ok 13571
180: ok 13572
180: ok 13573
180: ok 13574
180: ok 13575
180: ok 13576
180: ok 13577
180: ok 13578
180: ok 13579
180: ok 13580
180: ok 13581
180: ok 13582
180: ok 13583
180: ok 13584
180: ok 13585
180: ok 13586
180: ok 13587
180: ok 13588
180: ok 13589
180: ok 13590
180: ok 13591
180: ok 13592
180: ok 13593
180: ok 13594
180: ok 13595
180: ok 13596
180: ok 13597
180: ok 13598
180: ok 13599
180: ok 13600
180: ok 13601
180: ok 13602
180: ok 13603
180: ok 13604
180: ok 13605
180: ok 13606
180: ok 13607
180: ok 13608
180: ok 13609
180: ok 13610
180: ok 13611
180: ok 13612
180: ok 13613
180: ok 13614
180: ok 13615
180: ok 13616
180: ok 13617
180: ok 13618
180: ok 13619
180: ok 13620
180: ok 13621
180: ok 13622
180: ok 13623
180: ok 13624
180: ok 13625
180: ok 13626
180: ok 13627
180: ok 13628
180: ok 13629
180: ok 13630
180: ok 13631
180: ok 13632
180: ok 13633
180: ok 13634
180: ok 13635
180: ok 13636
180: ok 13637
180: ok 13638
180: ok 13639
180: ok 13640
180: ok 13641
180: ok 13642
180: ok 13643
180: ok 13644
180: ok 13645
180: ok 13646
180: ok 13647
180: ok 13648
180: ok 13649
180: ok 13650
180: ok 13651
180: ok 13652
180: ok 13653
180: ok 13654
180: ok 13655
180: ok 13656
180: ok 13657
180: ok 13658
180: ok 13659
180: ok 13660
180: ok 13661
180: ok 13662
180: ok 13663
180: ok 13664
180: ok 13665
180: ok 13666
180: ok 13667
180: ok 13668
180: ok 13669
180: ok 13670
180: ok 13671
180: ok 13672
180: ok 13673
180: ok 13674
180: ok 13675
180: ok 13676
180: ok 13677
180: ok 13678
180: ok 13679
180: ok 13680
180: ok 13681
180: ok 13682
180: ok 13683
180: ok 13684
180: ok 13685
180: ok 13686
180: ok 13687
180: ok 13688
180: ok 13689
180: ok 13690
180: ok 13691
180: ok 13692
180: ok 13693
180: ok 13694
180: ok 13695
180: ok 13696
180: ok 13697
180: ok 13698
180: ok 13699
180: ok 13700
180: ok 13701
180: ok 13702
180: ok 13703
180: ok 13704
180: ok 13705
180: ok 13706
180: ok 13707
180: ok 13708
180: ok 13709
180: ok 13710
180: ok 13711
180: ok 13712
180: ok 13713
180: ok 13714
180: ok 13715
180: ok 13716
180: ok 13717
180: ok 13718
180: ok 13719
180: ok 13720
180: ok 13721
180: ok 13722
180: ok 13723
180: ok 13724
180: ok 13725
180: ok 13726
180: ok 13727
180: ok 13728
180: ok 13729
180: ok 13730
180: ok 13731
180: ok 13732
180: ok 13733
180: ok 13734
180: ok 13735
180: ok 13736
180: ok 13737
180: ok 13738
180: ok 13739
180: ok 13740
180: ok 13741
180: ok 13742
180: ok 13743
180: ok 13744
180: ok 13745
180: ok 13746
180: ok 13747
180: ok 13748
180: ok 13749
180: ok 13750
180: ok 13751
180: ok 13752
180: ok 13753
180: ok 13754
180: ok 13755
180: ok 13756
180: ok 13757
180: ok 13758
180: ok 13759
180: ok 13760
180: ok 13761
180: ok 13762
180: ok 13763
180: ok 13764
180: ok 13765
180: ok 13766
180: ok 13767
180: ok 13768
180: ok 13769
180: ok 13770
180: ok 13771
180: ok 13772
180: ok 13773
180: ok 13774
180: ok 13775
180: ok 13776
180: ok 13777
180: ok 13778
180: ok 13779
180: ok 13780
180: ok 13781
180: ok 13782
180: ok 13783
180: ok 13784
180: ok 13785
180: ok 13786
180: ok 13787
180: ok 13788
180: ok 13789
180: ok 13790
180: ok 13791
180: ok 13792
180: ok 13793
180: ok 13794
180: ok 13795
180: ok 13796
180: ok 13797
180: ok 13798
180: ok 13799
180: ok 13800
180: ok 13801
180: ok 13802
180: ok 13803
180: ok 13804
180: ok 13805
180: ok 13806
180: ok 13807
180: ok 13808
180: ok 13809
180: ok 13810
180: ok 13811
180: ok 13812
180: ok 13813
180: ok 13814
180: ok 13815
180: ok 13816
180: ok 13817
180: ok 13818
180: ok 13819
180: ok 13820
180: ok 13821
180: ok 13822
180: ok 13823
180: ok 13824
180: ok 13825
180: ok 13826
180: ok 13827
180: ok 13828
180: ok 13829
180: ok 13830
180: ok 13831
180: ok 13832
180: ok 13833
180: ok 13834
180: ok 13835
180: ok 13836
180: ok 13837
180: ok 13838
180: ok 13839
180: ok 13840
180: ok 13841
180: ok 13842
180: ok 13843
180: ok 13844
180: ok 13845
180: ok 13846
180: ok 13847
180: ok 13848
180: ok 13849
180: ok 13850
180: ok 13851
180: ok 13852
180: ok 13853
180: ok 13854
180: ok 13855
180: ok 13856
180: ok 13857
180: ok 13858
180: ok 13859
180: ok 13860
180: ok 13861
180: ok 13862
180: ok 13863
180: ok 13864
180: ok 13865
180: ok 13866
180: ok 13867
180: ok 13868
180: ok 13869
180: ok 13870
180: ok 13871
180: ok 13872
180: ok 13873
180: ok 13874
180: ok 13875
180: ok 13876
180: ok 13877
180: ok 13878
180: ok 13879
180: ok 13880
180: ok 13881
180: ok 13882
180: ok 13883
180: ok 13884
180: ok 13885
180: ok 13886
180: ok 13887
180: ok 13888
180: ok 13889
180: ok 13890
180: ok 13891
180: ok 13892
180: ok 13893
180: ok 13894
180: ok 13895
180: ok 13896
180: ok 13897
180: ok 13898
180: ok 13899
180: ok 13900
180: ok 13901
180: ok 13902
180: ok 13903
180: ok 13904
180: ok 13905
180: ok 13906
180: ok 13907
180: ok 13908
180: ok 13909
180: ok 13910
180: ok 13911
180: ok 13912
180: ok 13913
180: ok 13914
180: ok 13915
180: ok 13916
180: ok 13917
180: ok 13918
180: ok 13919
180: ok 13920
180: ok 13921
180: ok 13922
180: ok 13923
180: ok 13924
180: ok 13925
180: ok 13926
180: ok 13927
180: ok 13928
180: ok 13929
180: ok 13930
180: ok 13931
180: ok 13932
180: ok 13933
180: ok 13934
180: ok 13935
180: ok 13936
180: ok 13937
180: ok 13938
180: ok 13939
180: ok 13940
180: ok 13941
180: ok 13942
180: ok 13943
180: ok 13944
180: ok 13945
180: ok 13946
180: ok 13947
180: ok 13948
180: ok 13949
180: ok 13950
180: ok 13951
180: ok 13952
180: ok 13953
180: ok 13954
180: ok 13955
180: ok 13956
180: ok 13957
180: ok 13958
180: ok 13959
180: ok 13960
180: ok 13961
180: ok 13962
180: ok 13963
180: ok 13964
180: ok 13965
180: ok 13966
180: ok 13967
180: ok 13968
180: ok 13969
180: ok 13970
180: ok 13971
180: ok 13972
180: ok 13973
180: ok 13974
180: ok 13975
180: ok 13976
180: ok 13977
180: ok 13978
180: ok 13979
180: ok 13980
180: ok 13981
180: ok 13982
180: ok 13983
180: ok 13984
180: ok 13985
180: ok 13986
180: ok 13987
180: ok 13988
180: ok 13989
180: ok 13990
180: ok 13991
180: ok 13992
180: ok 13993
180: ok 13994
180: ok 13995
180: ok 13996
180: ok 13997
180: ok 13998
180: ok 13999
180: ok 14000
180: # math: passed testArithmeticOperators
180: # math: entering testDistancesAnglesOrthogonality
180: ok 14001
180: ok 14002
180: ok 14003
180: ok 14004
180: ok 14005
180: ok 14006
180: ok 14007
180: ok 14008
180: ok 14009
180: ok 14010
180: ok 14011
180: ok 14012
180: ok 14013
180: ok 14014
180: ok 14015
180: ok 14016
180: ok 14017
180: ok 14018
180: ok 14019
180: ok 14020
180: ok 14021
180: ok 14022
180: ok 14023
180: ok 14024
180: ok 14025
180: ok 14026
180: ok 14027
180: ok 14028
180: ok 14029
180: ok 14030
180: ok 14031
180: ok 14032
180: ok 14033
180: ok 14034
180: ok 14035
180: ok 14036
180: ok 14037
180: ok 14038
180: ok 14039
180: ok 14040
180: ok 14041
180: ok 14042
180: ok 14043
180: ok 14044
180: ok 14045
180: ok 14046
180: ok 14047
180: ok 14048
180: ok 14049
180: ok 14050
180: ok 14051
180: ok 14052
180: ok 14053
180: ok 14054
180: ok 14055
180: ok 14056
180: ok 14057
180: ok 14058
180: ok 14059
180: ok 14060
180: ok 14061
180: ok 14062
180: ok 14063
180: ok 14064
180: ok 14065
180: ok 14066
180: ok 14067
180: ok 14068
180: ok 14069
180: ok 14070
180: ok 14071
180: ok 14072
180: ok 14073
180: ok 14074
180: ok 14075
180: ok 14076
180: ok 14077
180: ok 14078
180: ok 14079
180: ok 14080
180: ok 14081
180: ok 14082
180: ok 14083
180: ok 14084
180: ok 14085
180: ok 14086
180: ok 14087
180: ok 14088
180: ok 14089
180: ok 14090
180: ok 14091
180: ok 14092
180: ok 14093
180: ok 14094
180: ok 14095
180: ok 14096
180: ok 14097
180: ok 14098
180: ok 14099
180: ok 14100
180: ok 14101
180: ok 14102
180: ok 14103
180: ok 14104
180: ok 14105
180: ok 14106
180: ok 14107
180: ok 14108
180: ok 14109
180: ok 14110
180: ok 14111
180: ok 14112
180: ok 14113
180: ok 14114
180: ok 14115
180: ok 14116
180: ok 14117
180: ok 14118
180: ok 14119
180: ok 14120
180: ok 14121
180: ok 14122
180: ok 14123
180: ok 14124
180: ok 14125
180: ok 14126
180: ok 14127
180: ok 14128
180: ok 14129
180: ok 14130
180: ok 14131
180: ok 14132
180: ok 14133
180: ok 14134
180: ok 14135
180: ok 14136
180: ok 14137
180: ok 14138
180: ok 14139
180: ok 14140
180: ok 14141
180: ok 14142
180: ok 14143
180: ok 14144
180: ok 14145
180: ok 14146
180: ok 14147
180: ok 14148
180: ok 14149
180: ok 14150
180: ok 14151
180: ok 14152
180: ok 14153
180: ok 14154
180: ok 14155
180: ok 14156
180: ok 14157
180: ok 14158
180: ok 14159
180: ok 14160
180: ok 14161
180: ok 14162
180: ok 14163
180: ok 14164
180: ok 14165
180: ok 14166
180: ok 14167
180: ok 14168
180: ok 14169
180: ok 14170
180: ok 14171
180: ok 14172
180: ok 14173
180: ok 14174
180: ok 14175
180: ok 14176
180: ok 14177
180: ok 14178
180: ok 14179
180: ok 14180
180: ok 14181
180: ok 14182
180: ok 14183
180: ok 14184
180: ok 14185
180: ok 14186
180: ok 14187
180: ok 14188
180: ok 14189
180: ok 14190
180: ok 14191
180: ok 14192
180: ok 14193
180: ok 14194
180: ok 14195
180: ok 14196
180: ok 14197
180: ok 14198
180: ok 14199
180: ok 14200
180: ok 14201
180: ok 14202
180: ok 14203
180: ok 14204
180: ok 14205
180: ok 14206
180: ok 14207
180: ok 14208
180: ok 14209
180: ok 14210
180: ok 14211
180: ok 14212
180: ok 14213
180: ok 14214
180: ok 14215
180: ok 14216
180: ok 14217
180: ok 14218
180: ok 14219
180: ok 14220
180: ok 14221
180: ok 14222
180: ok 14223
180: ok 14224
180: ok 14225
180: ok 14226
180: ok 14227
180: ok 14228
180: ok 14229
180: ok 14230
180: ok 14231
180: ok 14232
180: ok 14233
180: ok 14234
180: ok 14235
180: ok 14236
180: ok 14237
180: ok 14238
180: ok 14239
180: ok 14240
180: ok 14241
180: ok 14242
180: ok 14243
180: ok 14244
180: ok 14245
180: ok 14246
180: ok 14247
180: ok 14248
180: ok 14249
180: ok 14250
180: ok 14251
180: ok 14252
180: ok 14253
180: ok 14254
180: ok 14255
180: ok 14256
180: ok 14257
180: ok 14258
180: ok 14259
180: ok 14260
180: ok 14261
180: ok 14262
180: ok 14263
180: ok 14264
180: ok 14265
180: ok 14266
180: ok 14267
180: ok 14268
180: ok 14269
180: ok 14270
180: ok 14271
180: ok 14272
180: ok 14273
180: ok 14274
180: ok 14275
180: ok 14276
180: ok 14277
180: ok 14278
180: ok 14279
180: ok 14280
180: ok 14281
180: ok 14282
180: ok 14283
180: ok 14284
180: ok 14285
180: ok 14286
180: ok 14287
180: ok 14288
180: ok 14289
180: ok 14290
180: ok 14291
180: ok 14292
180: ok 14293
180: ok 14294
180: ok 14295
180: ok 14296
180: ok 14297
180: ok 14298
180: ok 14299
180: ok 14300
180: ok 14301
180: ok 14302
180: ok 14303
180: ok 14304
180: ok 14305
180: ok 14306
180: ok 14307
180: ok 14308
180: ok 14309
180: ok 14310
180: ok 14311
180: ok 14312
180: ok 14313
180: ok 14314
180: ok 14315
180: ok 14316
180: ok 14317
180: ok 14318
180: ok 14319
180: ok 14320
180: ok 14321
180: ok 14322
180: ok 14323
180: ok 14324
180: ok 14325
180: ok 14326
180: ok 14327
180: ok 14328
180: ok 14329
180: ok 14330
180: ok 14331
180: ok 14332
180: ok 14333
180: ok 14334
180: ok 14335
180: ok 14336
180: ok 14337
180: ok 14338
180: ok 14339
180: ok 14340
180: ok 14341
180: ok 14342
180: ok 14343
180: ok 14344
180: ok 14345
180: ok 14346
180: ok 14347
180: ok 14348
180: ok 14349
180: ok 14350
180: ok 14351
180: ok 14352
180: ok 14353
180: ok 14354
180: ok 14355
180: ok 14356
180: ok 14357
180: ok 14358
180: ok 14359
180: ok 14360
180: ok 14361
180: ok 14362
180: ok 14363
180: ok 14364
180: ok 14365
180: ok 14366
180: ok 14367
180: ok 14368
180: ok 14369
180: ok 14370
180: ok 14371
180: ok 14372
180: ok 14373
180: ok 14374
180: ok 14375
180: ok 14376
180: ok 14377
180: ok 14378
180: ok 14379
180: ok 14380
180: ok 14381
180: ok 14382
180: ok 14383
180: ok 14384
180: ok 14385
180: ok 14386
180: ok 14387
180: ok 14388
180: ok 14389
180: ok 14390
180: ok 14391
180: ok 14392
180: ok 14393
180: ok 14394
180: ok 14395
180: ok 14396
180: ok 14397
180: ok 14398
180: ok 14399
180: ok 14400
180: ok 14401
180: ok 14402
180: ok 14403
180: ok 14404
180: ok 14405
180: ok 14406
180: ok 14407
180: ok 14408
180: ok 14409
180: ok 14410
180: ok 14411
180: ok 14412
180: ok 14413
180: ok 14414
180: ok 14415
180: ok 14416
180: ok 14417
180: ok 14418
180: ok 14419
180: ok 14420
180: ok 14421
180: ok 14422
180: ok 14423
180: ok 14424
180: ok 14425
180: ok 14426
180: ok 14427
180: ok 14428
180: ok 14429
180: ok 14430
180: ok 14431
180: ok 14432
180: ok 14433
180: ok 14434
180: ok 14435
180: ok 14436
180: ok 14437
180: ok 14438
180: ok 14439
180: ok 14440
180: ok 14441
180: ok 14442
180: ok 14443
180: ok 14444
180: ok 14445
180: ok 14446
180: ok 14447
180: ok 14448
180: ok 14449
180: ok 14450
180: ok 14451
180: ok 14452
180: ok 14453
180: ok 14454
180: ok 14455
180: ok 14456
180: ok 14457
180: ok 14458
180: ok 14459
180: ok 14460
180: ok 14461
180: ok 14462
180: ok 14463
180: ok 14464
180: ok 14465
180: ok 14466
180: ok 14467
180: ok 14468
180: ok 14469
180: ok 14470
180: ok 14471
180: ok 14472
180: ok 14473
180: ok 14474
180: ok 14475
180: ok 14476
180: ok 14477
180: ok 14478
180: ok 14479
180: ok 14480
180: ok 14481
180: ok 14482
180: ok 14483
180: ok 14484
180: ok 14485
180: ok 14486
180: ok 14487
180: ok 14488
180: ok 14489
180: ok 14490
180: ok 14491
180: ok 14492
180: ok 14493
180: ok 14494
180: ok 14495
180: ok 14496
180: ok 14497
180: ok 14498
180: ok 14499
180: ok 14500
180: ok 14501
180: ok 14502
180: ok 14503
180: ok 14504
180: ok 14505
180: ok 14506
180: ok 14507
180: ok 14508
180: ok 14509
180: ok 14510
180: ok 14511
180: ok 14512
180: ok 14513
180: ok 14514
180: ok 14515
180: ok 14516
180: ok 14517
180: ok 14518
180: ok 14519
180: ok 14520
180: ok 14521
180: ok 14522
180: ok 14523
180: ok 14524
180: ok 14525
180: ok 14526
180: ok 14527
180: ok 14528
180: ok 14529
180: ok 14530
180: ok 14531
180: ok 14532
180: ok 14533
180: ok 14534
180: ok 14535
180: ok 14536
180: ok 14537
180: ok 14538
180: ok 14539
180: ok 14540
180: ok 14541
180: ok 14542
180: ok 14543
180: ok 14544
180: ok 14545
180: ok 14546
180: ok 14547
180: ok 14548
180: ok 14549
180: ok 14550
180: ok 14551
180: ok 14552
180: ok 14553
180: ok 14554
180: ok 14555
180: ok 14556
180: ok 14557
180: ok 14558
180: ok 14559
180: ok 14560
180: ok 14561
180: ok 14562
180: ok 14563
180: ok 14564
180: ok 14565
180: ok 14566
180: ok 14567
180: ok 14568
180: ok 14569
180: ok 14570
180: ok 14571
180: ok 14572
180: ok 14573
180: ok 14574
180: ok 14575
180: ok 14576
180: ok 14577
180: ok 14578
180: ok 14579
180: ok 14580
180: ok 14581
180: ok 14582
180: ok 14583
180: ok 14584
180: ok 14585
180: ok 14586
180: ok 14587
180: ok 14588
180: ok 14589
180: ok 14590
180: ok 14591
180: ok 14592
180: ok 14593
180: ok 14594
180: ok 14595
180: ok 14596
180: ok 14597
180: ok 14598
180: ok 14599
180: ok 14600
180: ok 14601
180: ok 14602
180: ok 14603
180: ok 14604
180: ok 14605
180: ok 14606
180: ok 14607
180: ok 14608
180: ok 14609
180: ok 14610
180: ok 14611
180: ok 14612
180: ok 14613
180: ok 14614
180: ok 14615
180: ok 14616
180: ok 14617
180: ok 14618
180: ok 14619
180: ok 14620
180: ok 14621
180: ok 14622
180: ok 14623
180: ok 14624
180: ok 14625
180: ok 14626
180: ok 14627
180: ok 14628
180: ok 14629
180: ok 14630
180: ok 14631
180: ok 14632
180: ok 14633
180: ok 14634
180: ok 14635
180: ok 14636
180: ok 14637
180: ok 14638
180: ok 14639
180: ok 14640
180: ok 14641
180: ok 14642
180: ok 14643
180: ok 14644
180: ok 14645
180: ok 14646
180: ok 14647
180: ok 14648
180: ok 14649
180: ok 14650
180: ok 14651
180: ok 14652
180: ok 14653
180: ok 14654
180: ok 14655
180: ok 14656
180: ok 14657
180: ok 14658
180: ok 14659
180: ok 14660
180: ok 14661
180: ok 14662
180: ok 14663
180: ok 14664
180: ok 14665
180: ok 14666
180: ok 14667
180: ok 14668
180: ok 14669
180: ok 14670
180: ok 14671
180: ok 14672
180: ok 14673
180: ok 14674
180: ok 14675
180: ok 14676
180: ok 14677
180: ok 14678
180: ok 14679
180: ok 14680
180: ok 14681
180: ok 14682
180: ok 14683
180: ok 14684
180: ok 14685
180: ok 14686
180: ok 14687
180: ok 14688
180: ok 14689
180: ok 14690
180: ok 14691
180: ok 14692
180: ok 14693
180: ok 14694
180: ok 14695
180: ok 14696
180: ok 14697
180: ok 14698
180: ok 14699
180: ok 14700
180: ok 14701
180: ok 14702
180: ok 14703
180: ok 14704
180: ok 14705
180: ok 14706
180: ok 14707
180: ok 14708
180: ok 14709
180: ok 14710
180: ok 14711
180: ok 14712
180: ok 14713
180: ok 14714
180: ok 14715
180: ok 14716
180: ok 14717
180: ok 14718
180: ok 14719
180: ok 14720
180: ok 14721
180: ok 14722
180: ok 14723
180: ok 14724
180: ok 14725
180: ok 14726
180: ok 14727
180: ok 14728
180: ok 14729
180: ok 14730
180: ok 14731
180: ok 14732
180: ok 14733
180: ok 14734
180: ok 14735
180: ok 14736
180: ok 14737
180: ok 14738
180: ok 14739
180: ok 14740
180: ok 14741
180: ok 14742
180: ok 14743
180: ok 14744
180: ok 14745
180: ok 14746
180: ok 14747
180: ok 14748
180: ok 14749
180: ok 14750
180: ok 14751
180: ok 14752
180: ok 14753
180: ok 14754
180: ok 14755
180: ok 14756
180: ok 14757
180: ok 14758
180: ok 14759
180: ok 14760
180: ok 14761
180: ok 14762
180: ok 14763
180: ok 14764
180: ok 14765
180: ok 14766
180: ok 14767
180: ok 14768
180: ok 14769
180: ok 14770
180: ok 14771
180: ok 14772
180: ok 14773
180: ok 14774
180: ok 14775
180: ok 14776
180: ok 14777
180: ok 14778
180: ok 14779
180: ok 14780
180: ok 14781
180: ok 14782
180: ok 14783
180: ok 14784
180: ok 14785
180: ok 14786
180: ok 14787
180: ok 14788
180: ok 14789
180: ok 14790
180: ok 14791
180: ok 14792
180: ok 14793
180: ok 14794
180: ok 14795
180: ok 14796
180: ok 14797
180: ok 14798
180: ok 14799
180: ok 14800
180: ok 14801
180: ok 14802
180: ok 14803
180: ok 14804
180: ok 14805
180: ok 14806
180: ok 14807
180: ok 14808
180: ok 14809
180: ok 14810
180: ok 14811
180: ok 14812
180: ok 14813
180: ok 14814
180: ok 14815
180: ok 14816
180: ok 14817
180: ok 14818
180: ok 14819
180: ok 14820
180: ok 14821
180: ok 14822
180: ok 14823
180: ok 14824
180: ok 14825
180: ok 14826
180: ok 14827
180: ok 14828
180: ok 14829
180: ok 14830
180: ok 14831
180: ok 14832
180: ok 14833
180: ok 14834
180: ok 14835
180: ok 14836
180: ok 14837
180: ok 14838
180: ok 14839
180: ok 14840
180: ok 14841
180: ok 14842
180: ok 14843
180: ok 14844
180: ok 14845
180: ok 14846
180: ok 14847
180: ok 14848
180: ok 14849
180: ok 14850
180: ok 14851
180: ok 14852
180: ok 14853
180: ok 14854
180: ok 14855
180: ok 14856
180: ok 14857
180: ok 14858
180: ok 14859
180: ok 14860
180: ok 14861
180: ok 14862
180: ok 14863
180: ok 14864
180: ok 14865
180: ok 14866
180: ok 14867
180: ok 14868
180: ok 14869
180: ok 14870
180: ok 14871
180: ok 14872
180: ok 14873
180: ok 14874
180: ok 14875
180: ok 14876
180: ok 14877
180: ok 14878
180: ok 14879
180: ok 14880
180: ok 14881
180: ok 14882
180: ok 14883
180: ok 14884
180: ok 14885
180: ok 14886
180: ok 14887
180: ok 14888
180: ok 14889
180: ok 14890
180: ok 14891
180: ok 14892
180: ok 14893
180: ok 14894
180: ok 14895
180: ok 14896
180: ok 14897
180: ok 14898
180: ok 14899
180: ok 14900
180: ok 14901
180: ok 14902
180: ok 14903
180: ok 14904
180: ok 14905
180: ok 14906
180: ok 14907
180: ok 14908
180: ok 14909
180: ok 14910
182: ok 7513
182: ok 7514
182: ok 7515
182: ok 7516
182: ok 7517
182: ok 7518
182: ok 7519
182: ok 7520
182: ok 7521
182: ok 7522
182: ok 7523
182: ok 7524
182: ok 7525
182: ok 7526
182: ok 7527
182: ok 7528
182: ok 7529
182: ok 7530
182: ok 7531
182: ok 7532
182: ok 7533
182: ok 7534
182: ok 7535
182: ok 7536
182: ok 7537
182: ok 7538
182: ok 7539
182: ok 7540
182: ok 7541
182: ok 7542
182: ok 7543
182: ok 7544
182: ok 7545
182: ok 7546
182: ok 7547
182: ok 7548
182: ok 7549
182: ok 7550
182: ok 7551
182: ok 7552
182: ok 7553
182: ok 7554
182: ok 7555
182: ok 7556
182: ok 7557
182: ok 7558
182: ok 7559
182: ok 7560
182: ok 7561
182: ok 7562
182: ok 7563
182: ok 7564
182: ok 7565
182: ok 7566
182: ok 7567
182: ok 7568
182: ok 7569
182: ok 7570
182: ok 7571
182: ok 7572
182: ok 7573
182: ok 7574
182: ok 7575
182: ok 7576
182: ok 7577
182: ok 7578
182: ok 7579
182: ok 7580
182: ok 7581
182: ok 7582
182: ok 7583
182: ok 7584
182: ok 7585
182: ok 7586
182: ok 7587
182: ok 7588
182: ok 7589
182: ok 7590
182: ok 7591
182: ok 7592
182: ok 7593
182: ok 7594
182: ok 7595
182: ok 7596
182: ok 7597
182: ok 7598
182: ok 7599
182: ok 7600
182: ok 7601
182: ok 7602
182: ok 7603
182: ok 7604
182: ok 7605
182: ok 7606
182: ok 7607
182: ok 7608
182: ok 7609
182: ok 7610
182: ok 7611
182: ok 7612
182: ok 7613
182: ok 7614
182: ok 7615
182: ok 7616
182: ok 7617
182: ok 7618
182: ok 7619
182: ok 7620
182: ok 7621
182: ok 7622
182: ok 7623
182: ok 7624
182: ok 7625
182: ok 7626
182: ok 7627
182: ok 7628
182: ok 7629
182: ok 7630
182: ok 7631
182: ok 7632
182: ok 7633
182: ok 7634
182: ok 7635
182: ok 7636
182: ok 7637
182: ok 7638
182: ok 7639
182: ok 7640
182: ok 7641
182: ok 7642
182: ok 7643
182: ok 7644
182: ok 7645
182: ok 7646
182: ok 7647
182: ok 7648
182: ok 7649
182: ok 7650
182: ok 7651
182: ok 7652
182: ok 7653
182: ok 7654
182: ok 7655
182: ok 7656
182: ok 7657
182: ok 7658
182: ok 7659
182: ok 7660
182: ok 7661
182: ok 7662
182: ok 7663
182: ok 7664
182: ok 7665
182: ok 7666
182: ok 7667
182: ok 7668
182: ok 7669
182: ok 7670
182: ok 7671
182: ok 7672
182: ok 7673
182: ok 7674
182: ok 7675
182: ok 7676
182: ok 7677
182: ok 7678
182: ok 7679
182: ok 7680
182: ok 7681
182: ok 7682
182: ok 7683
182: ok 7684
182: ok 7685
182: ok 7686
182: ok 7687
182: ok 7688
182: ok 7689
182: ok 7690
182: ok 7691
182: ok 7692
182: ok 7693
182: ok 7694
182: ok 7695
182: ok 7696
182: ok 7697
182: ok 7698
182: ok 7699
182: ok 7700
182: ok 7701
182: ok 7702
182: ok 7703
182: ok 7704
182: ok 7705
182: ok 7706
182: ok 7707
182: ok 7708
182: ok 7709
182: ok 7710
182: ok 7711
182: ok 7712
182: ok 7713
182: ok 7714
182: ok 7715
182: ok 7716
182: ok 7717
182: ok 7718
182: ok 7719
182: ok 7720
182: ok 7721
182: ok 7722
182: ok 7723
182: ok 7724
182: ok 7725
182: ok 7726
182: ok 7727
182: ok 7728
182: ok 7729
182: ok 7730
182: ok 7731
182: ok 7732
182: ok 7733
182: ok 7734
182: ok 7735
182: ok 7736
182: ok 7737
182: ok 7738
182: ok 7739
182: ok 7740
182: ok 7741
182: ok 7742
182: ok 7743
182: ok 7744
182: ok 7745
182: ok 7746
182: ok 7747
182: ok 7748
182: ok 7749
182: ok 7750
182: ok 7751
182: ok 7752
182: ok 7753
182: ok 7754
182: ok 7755
182: ok 7756
182: ok 7757
182: ok 7758
182: ok 7759
182: ok 7760
182: ok 7761
182: ok 7762
182: ok 7763
182: ok 7764
182: ok 7765
182: ok 7766
182: ok 7767
182: ok 7768
182: ok 7769
182: ok 7770
182: ok 7771
182: ok 7772
182: ok 7773
182: ok 7774
182: ok 7775
182: ok 7776
182: ok 7777
182: ok 7778
182: ok 7779
182: ok 7780
182: ok 7781
182: ok 7782
182: ok 7783
182: ok 7784
182: ok 7785
182: ok 7786
182: ok 7787
182: ok 7788
182: ok 7789
182: ok 7790
182: ok 7791
182: ok 7792
182: ok 7793
182: ok 7794
182: ok 7795
182: ok 7796
182: ok 7797
182: ok 7798
182: ok 7799
182: ok 7800
182: ok 7801
182: ok 7802
182: ok 7803
182: ok 7804
182: ok 7805
182: ok 7806
182: ok 7807
182: ok 7808
182: ok 7809
182: ok 7810
182: ok 7811
182: ok 7812
182: ok 7813
182: ok 7814
182: ok 7815
182: ok 7816
182: ok 7817
182: ok 7818
182: ok 7819
182: ok 7820
182: ok 7821
182: ok 7822
182: ok 7823
182: ok 7824
182: ok 7825
182: ok 7826
182: ok 7827
182: ok 7828
182: ok 7829
182: ok 7830
182: ok 7831
182: ok 7832
182: ok 7833
182: ok 7834
182: ok 7835
182: ok 7836
182: ok 7837
182: ok 7838
182: ok 7839
182: ok 7840
182: ok 7841
182: ok 7842
182: ok 7843
182: ok 7844
182: ok 7845
182: ok 7846
182: ok 7847
182: ok 7848
182: ok 7849
182: ok 7850
182: ok 7851
182: ok 7852
182: ok 7853
182: ok 7854
182: ok 7855
182: ok 7856
182: ok 7857
182: ok 7858
182: ok 7859
182: ok 7860
182: ok 7861
182: ok 7862
182: ok 7863
182: ok 7864
182: ok 7865
182: ok 7866
182: ok 7867
182: ok 7868
182: ok 7869
182: ok 7870
182: ok 7871
182: ok 7872
182: ok 7873
182: ok 7874
182: ok 7875
182: ok 7876
182: ok 7877
182: ok 7878
182: ok 7879
182: ok 7880
182: ok 7881
182: ok 7882
182: ok 7883
182: ok 7884
182: ok 7885
182: ok 7886
182: ok 7887
182: ok 7888
182: ok 7889
182: ok 7890
182: ok 7891
182: ok 7892
182: ok 7893
182: ok 7894
182: ok 7895
182: ok 7896
182: ok 7897
182: ok 7898
182: ok 7899
182: ok 7900
182: ok 7901
182: ok 7902
182: ok 7903
182: ok 7904
182: ok 7905
182: ok 7906
182: ok 7907
182: ok 7908
182: ok 7909
182: ok 7910
182: ok 7911
182: ok 7912
182: ok 7913
182: ok 7914
182: ok 7915
182: ok 7916
182: ok 7917
182: ok 7918
182: ok 7919
182: ok 7920
182: ok 7921
182: ok 7922
182: ok 7923
182: ok 7924
182: ok 7925
182: ok 7926
182: ok 7927
182: ok 7928
182: ok 7929
182: ok 7930
182: ok 7931
182: ok 7932
182: ok 7933
182: ok 7934
182: ok 7935
182: ok 7936
182: ok 7937
182: ok 7938
182: ok 7939
182: ok 7940
182: ok 7941
182: ok 7942
182: ok 7943
182: ok 7944
182: ok 7945
182: ok 7946
182: ok 7947
182: ok 7948
182: ok 7949
182: ok 7950
182: ok 7951
182: ok 7952
182: ok 7953
182: ok 7954
182: ok 7955
182: ok 7956
182: ok 7957
182: ok 7958
182: ok 7959
182: ok 7960
182: ok 7961
182: ok 7962
182: ok 7963
182: ok 7964
182: ok 7965
182: ok 7966
182: ok 7967
182: ok 7968
182: ok 7969
182: ok 7970
182: ok 7971
182: ok 7972
182: ok 7973
182: ok 7974
182: ok 7975
182: ok 7976
182: ok 7977
182: ok 7978
182: ok 7979
182: ok 7980
182: ok 7981
182: ok 7982
182: ok 7983
182: ok 7984
182: ok 7985
182: ok 7986
182: ok 7987
182: ok 7988
182: ok 7989
182: ok 7990
182: ok 7991
182: ok 7992
182: ok 7993
182: ok 7994
182: ok 7995
182: ok 7996
182: ok 7997
182: ok 7998
182: ok 7999
182: ok 8000
182: ok 8001
182: ok 8002
182: ok 8003
182: ok 8004
182: ok 8005
182: ok 8006
182: ok 8007
182: ok 8008
182: ok 8009
182: ok 8010
182: ok 8011
182: ok 8012
182: ok 8013
182: ok 8014
182: ok 8015
182: ok 8016
182: ok 8017
182: ok 8018
182: ok 8019
182: ok 8020
182: ok 8021
182: ok 8022
182: ok 8023
182: ok 8024
182: ok 8025
182: ok 8026
182: ok 8027
182: ok 8028
182: ok 8029
182: ok 8030
182: ok 8031
182: ok 8032
182: ok 8033
182: ok 8034
182: ok 8035
182: ok 8036
182: ok 8037
182: ok 8038
182: ok 8039
182: ok 8040
182: ok 8041
182: ok 8042
182: ok 8043
182: ok 8044
182: ok 8045
182: ok 8046
182: ok 8047
182: ok 8048
182: ok 8049
182: ok 8050
182: ok 8051
182: ok 8052
182: ok 8053
182: ok 8054
182: ok 8055
182: ok 8056
182: ok 8057
182: ok 8058
182: ok 8059
182: ok 8060
182: ok 8061
182: ok 8062
182: ok 8063
182: ok 8064
182: ok 8065
182: ok 8066
182: ok 8067
182: ok 8068
182: ok 8069
182: ok 8070
182: ok 8071
182: ok 8072
182: ok 8073
182: ok 8074
182: ok 8075
182: ok 8076
182: ok 8077
182: ok 8078
182: ok 8079
182: ok 8080
182: ok 8081
182: ok 8082
182: ok 8083
182: ok 8084
182: ok 8085
182: ok 8086
182: ok 8087
182: ok 8088
182: ok 8089
182: ok 8090
182: ok 8091
182: ok 8092
182: ok 8093
182: ok 8094
182: ok 8095
182: ok 8096
182: ok 8097
182: ok 8098
182: ok 8099
182: ok 8100
182: ok 8101
182: ok 8102
182: ok 8103
182: ok 8104
182: ok 8105
182: ok 8106
182: ok 8107
182: ok 8108
182: ok 8109
182: ok 8110
182: ok 8111
182: ok 8112
182: ok 8113
182: ok 8114
182: ok 8115
182: ok 8116
182: ok 8117
182: ok 8118
182: ok 8119
182: ok 8120
182: ok 8121
182: ok 8122
182: ok 8123
182: ok 8124
182: ok 8125
182: ok 8126
182: ok 8127
182: ok 8128
182: ok 8129
182: ok 8130
182: ok 8131
182: ok 8132
182: ok 8133
182: ok 8134
182: ok 8135
182: ok 8136
182: ok 8137
182: ok 8138
182: ok 8139
182: ok 8140
182: ok 8141
182: ok 8142
182: ok 8143
182: ok 8144
182: ok 8145
182: ok 8146
182: ok 8147
182: ok 8148
182: ok 8149
182: ok 8150
182: ok 8151
182: ok 8152
182: ok 8153
182: ok 8154
182: ok 8155
182: ok 8156
182: ok 8157
182: ok 8158
182: ok 8159
182: ok 8160
182: ok 8161
182: ok 8162
182: ok 8163
182: ok 8164
182: ok 8165
182: ok 8166
182: ok 8167
182: ok 8168
182: ok 8169
182: ok 8170
182: ok 8171
182: ok 8172
182: ok 8173
182: ok 8174
182: ok 8175
182: ok 8176
182: ok 8177
182: ok 8178
182: ok 8179
182: ok 8180
182: ok 8181
182: ok 8182
182: ok 8183
182: ok 8184
182: ok 8185
182: ok 8186
182: ok 8187
182: ok 8188
182: ok 8189
182: ok 8190
182: ok 8191
182: ok 8192
182: ok 8193
182: ok 8194
182: ok 8195
182: ok 8196
182: ok 8197
182: ok 8198
182: ok 8199
182: ok 8200
182: ok 8201
182: ok 8202
182: ok 8203
182: ok 8204
182: ok 8205
182: ok 8206
182: ok 8207
182: ok 8208
182: ok 8209
182: ok 8210
182: ok 8211
182: ok 8212
182: ok 8213
182: ok 8214
182: ok 8215
182: ok 8216
182: ok 8217
182: ok 8218
182: ok 8219
182: ok 8220
182: ok 8221
182: ok 8222
182: ok 8223
182: ok 8224
182: ok 8225
182: ok 8226
182: ok 8227
182: ok 8228
182: ok 8229
182: ok 8230
182: ok 8231
182: ok 8232
182: ok 8233
182: ok 8234
182: ok 8235
182: ok 8236
182: ok 8237
182: ok 8238
182: ok 8239
182: ok 8240
182: ok 8241
182: ok 8242
182: ok 8243
182: ok 8244
182: ok 8245
182: ok 8246
182: ok 8247
182: ok 8248
182: ok 8249
182: ok 8250
182: ok 8251
182: ok 8252
182: ok 8253
182: ok 8254
182: ok 8255
182: ok 8256
182: ok 8257
182: ok 8258
182: ok 8259
182: ok 8260
182: ok 8261
182: ok 8262
182: ok 8263
182: ok 8264
182: ok 8265
182: ok 8266
182: ok 8267
182: ok 8268
182: ok 8269
182: ok 8270
182: ok 8271
182: ok 8272
182: ok 8273
182: ok 8274
182: ok 8275
182: ok 8276
182: ok 8277
182: ok 8278
182: ok 8279
182: ok 8280
182: ok 8281
182: ok 8282
182: ok 8283
182: ok 8284
182: ok 8285
182: ok 8286
182: ok 8287
182: ok 8288
182: ok 8289
182: ok 8290
182: ok 8291
182: ok 8292
182: ok 8293
182: ok 8294
182: ok 8295
182: ok 8296
182: ok 8297
182: ok 8298
182: ok 8299
182: ok 8300
182: ok 8301
182: ok 8302
182: ok 8303
182: ok 8304
182: ok 8305
182: ok 8306
182: ok 8307
182: ok 8308
182: ok 8309
182: ok 8310
182: ok 8311
182: ok 8312
182: ok 8313
182: ok 8314
182: ok 8315
182: ok 8316
182: ok 8317
182: ok 8318
182: ok 8319
182: ok 8320
182: ok 8321
182: ok 8322
182: ok 8323
182: ok 8324
182: ok 8325
182: ok 8326
182: ok 8327
182: ok 8328
182: ok 8329
182: ok 8330
182: ok 8331
182: ok 8332
182: ok 8333
182: ok 8334
182: ok 8335
182: ok 8336
182: ok 8337
182: ok 8338
182: ok 8339
182: ok 8340
182: ok 8341
182: ok 8342
182: ok 8343
182: ok 8344
182: ok 8345
182: ok 8346
182: ok 8347
182: ok 8348
182: ok 8349
182: ok 8350
182: ok 8351
182: ok 8352
182: ok 8353
182: ok 8354
182: ok 8355
182: ok 8356
182: ok 8357
182: ok 8358
182: ok 8359
182: ok 8360
182: ok 8361
182: ok 8362
182: ok 8363
182: ok 8364
182: ok 8365
182: ok 8366
182: ok 8367
182: ok 8368
182: ok 8369
182: ok 8370
182: ok 8371
182: ok 8372
182: ok 8373
182: ok 8374
182: ok 8375
182: ok 8376
182: ok 8377
182: ok 8378
182: ok 8379
182: ok 8380
182: ok 8381
182: ok 8382
182: ok 8383
182: ok 8384
182: ok 8385
182: ok 8386
182: ok 8387
182: ok 8388
182: ok 8389
182: ok 8390
182: ok 8391
182: ok 8392
182: ok 8393
182: ok 8394
182: ok 8395
182: ok 8396
182: ok 8397
182: ok 8398
182: ok 8399
182: ok 8400
182: ok 8401
182: ok 8402
182: ok 8403
182: ok 8404
182: ok 8405
182: ok 8406
182: ok 8407
182: ok 8408
182: ok 8409
182: ok 8410
182: ok 8411
182: ok 8412
182: ok 8413
182: ok 8414
182: ok 8415
182: ok 8416
182: ok 8417
182: ok 8418
182: ok 8419
182: ok 8420
182: ok 8421
182: ok 8422
182: ok 8423
182: ok 8424
182: ok 8425
182: ok 8426
182: ok 8427
182: ok 8428
182: ok 8429
182: ok 8430
182: ok 8431
182: ok 8432
182: ok 8433
182: ok 8434
182: ok 8435
182: ok 8436
182: ok 8437
182: ok 8438
182: ok 8439
182: ok 8440
182: ok 8441
182: ok 8442
182: ok 8443
182: ok 8444
182: ok 8445
182: ok 8446
182: ok 8447
182: ok 8448
182: ok 8449
182: ok 8450
182: ok 8451
182: ok 8452
182: ok 8453
182: ok 8454
182: ok 8455
182: ok 8456
182: ok 8457
182: ok 8458
182: ok 8459
182: ok 8460
182: ok 8461
182: ok 8462
182: ok 8463
182: ok 8464
182: ok 8465
182: ok 8466
182: ok 8467
182: ok 8468
182: ok 8469
182: ok 8470
182: ok 8471
182: ok 8472
182: ok 8473
182: ok 8474
182: ok 8475
182: ok 8476
182: ok 8477
182: ok 8478
182: ok 8479
182: ok 8480
182: ok 8481
182: ok 8482
182: ok 8483
182: ok 8484
182: ok 8485
182: ok 8486
182: ok 8487
182: ok 8488
182: ok 8489
182: ok 8490
182: ok 8491
182: ok 8492
182: ok 8493
182: ok 8494
182: ok 8495
182: ok 8496
182: ok 8497
182: ok 8498
182: ok 8499
182: ok 8500
182: ok 8501
182: ok 8502
182: ok 8503
182: ok 8504
182: ok 8505
182: ok 8506
182: ok 8507
182: ok 8508
182: ok 8509
182: ok 8510
182: ok 8511
182: ok 8512
182: ok 8513
182: ok 8514
182: ok 8515
182: ok 8516
182: ok 8517
182: ok 8518
182: ok 8519
182: ok 8520
182: ok 8521
182: ok 8522
182: ok 8523
182: ok 8524
182: ok 8525
182: ok 8526
182: ok 8527
182: ok 8528
182: ok 8529
182: ok 8530
182: ok 8531
182: ok 8532
182: ok 8533
182: ok 8534
182: ok 8535
182: ok 8536
182: ok 8537
182: ok 8538
182: ok 8539
182: ok 8540
182: ok 8541
182: ok 8542
182: ok 8543
182: ok 8544
182: ok 8545
182: ok 8546
182: ok 8547
182: ok 8548
182: ok 8549
182: ok 8550
182: ok 8551
182: ok 8552
182: ok 8553
182: ok 8554
182: ok 8555
182: ok 8556
182: ok 8557
182: ok 8558
182: ok 8559
182: ok 8560
182: ok 8561
182: ok 8562
182: ok 8563
182: ok 8564
182: ok 8565
182: ok 8566
182: ok 8567
182: ok 8568
182: ok 8569
182: ok 8570
182: ok 8571
182: ok 8572
182: ok 8573
182: ok 8574
182: ok 8575
182: ok 8576
182: ok 8577
182: ok 8578
182: ok 8579
182: ok 8580
182: ok 8581
182: ok 8582
182: ok 8583
182: ok 8584
182: ok 8585
182: ok 8586
182: ok 8587
182: ok 8588
182: ok 8589
182: ok 8590
182: ok 8591
182: ok 8592
182: ok 8593
182: ok 8594
182: ok 8595
182: ok 8596
182: ok 8597
182: ok 8598
182: ok 8599
182: ok 8600
182: ok 8601
182: ok 8602
182: ok 8603
182: ok 8604
182: ok 8605
182: ok 8606
182: ok 8607
182: ok 8608
182: ok 8609
182: ok 8610
182: ok 8611
182: ok 8612
182: ok 8613
182: ok 8614
182: ok 8615
182: ok 8616
182: ok 8617
182: ok 8618
182: ok 8619
182: ok 8620
182: ok 8621
182: ok 8622
182: ok 8623
182: ok 8624
182: ok 8625
182: ok 8626
182: ok 8627
182: ok 8628
182: ok 8629
182: ok 8630
182: ok 8631
182: ok 8632
182: ok 8633
182: ok 8634
182: ok 8635
182: ok 8636
182: ok 8637
182: ok 8638
182: ok 8639
182: ok 8640
182: ok 8641
182: ok 8642
182: ok 8643
182: ok 8644
182: ok 8645
182: ok 8646
182: ok 8647
182: ok 8648
182: ok 8649
182: ok 8650
182: ok 8651
182: ok 8652
182: ok 8653
182: ok 8654
182: ok 8655
182: ok 8656
182: ok 8657
182: ok 8658
182: ok 8659
182: ok 8660
182: ok 8661
182: ok 8662
182: ok 8663
182: ok 8664
182: ok 8665
182: ok 8666
182: ok 8667
182: ok 8668
182: ok 8669
182: ok 8670
182: ok 8671
182: ok 8672
182: ok 8673
182: ok 8674
182: ok 8675
182: ok 8676
182: ok 8677
182: ok 8678
182: ok 8679
182: ok 8680
182: ok 8681
182: ok 8682
182: ok 8683
182: ok 8684
182: ok 8685
182: ok 8686
182: ok 8687
182: ok 8688
182: ok 8689
182: ok 8690
182: ok 8691
182: ok 8692
182: ok 8693
182: ok 8694
182: ok 8695
182: ok 8696
182: ok 8697
182: ok 8698
182: ok 8699
182: ok 8700
182: ok 8701
182: ok 8702
182: ok 8703
182: ok 8704
182: ok 8705
182: ok 8706
182: ok 8707
182: ok 8708
182: ok 8709
182: ok 8710
182: ok 8711
182: ok 8712
182: ok 8713
182: ok 8714
182: ok 8715
182: ok 8716
182: ok 8717
182: ok 8718
182: ok 8719
182: ok 8720
182: ok 8721
182: ok 8722
182: ok 8723
182: ok 8724
182: ok 8725
182: ok 8726
182: ok 8727
182: ok 8728
182: ok 8729
182: ok 8730
182: ok 8731
182: ok 8732
182: ok 8733
182: ok 8734
182: ok 8735
182: ok 8736
182: ok 8737
182: ok 8738
182: ok 8739
182: ok 8740
182: ok 8741
182: ok 8742
182: ok 8743
182: ok 8744
182: ok 8745
182: ok 8746
182: ok 8747
182: ok 8748
182: ok 8749
182: ok 8750
182: ok 8751
182: ok 8752
182: ok 8753
182: ok 8754
182: ok 8755
182: ok 8756
182: ok 8757
182: ok 8758
182: ok 8759
182: ok 8760
182: ok 8761
182: ok 8762
182: ok 8763
182: ok 8764
182: ok 8765
182: ok 8766
182: ok 8767
182: ok 8768
182: ok 8769
182: ok 8770
182: ok 8771
182: ok 8772
182: ok 8773
182: ok 8774
182: ok 8775
182: ok 8776
182: ok 8777
182: ok 8778
182: ok 8779
182: ok 8780
182: ok 8781
182: ok 8782
182: ok 8783
182: ok 8784
182: ok 8785
182: ok 8786
182: ok 8787
182: ok 8788
182: ok 8789
182: ok 8790
182: ok 8791
182: ok 8792
182: ok 8793
182: ok 8794
182: ok 8795
182: ok 8796
182: ok 8797
182: ok 8798
182: ok 8799
182: ok 8800
182: ok 8801
182: ok 8802
182: ok 8803
182: ok 8804
182: ok 8805
182: ok 8806
182: ok 8807
182: ok 8808
182: ok 8809
182: ok 8810
182: ok 8811
182: ok 8812
182: ok 8813
182: ok 8814
182: ok 8815
182: ok 8816
182: ok 8817
182: ok 8818
182: ok 8819
182: ok 8820
182: ok 8821
182: ok 8822
182: ok 8823
182: ok 8824
182: ok 8825
182: ok 8826
182: ok 8827
182: ok 8828
182: ok 8829
182: ok 8830
182: ok 8831
182: ok 8832
182: ok 8833
182: ok 8834
182: ok 8835
182: ok 8836
182: ok 8837
182: ok 8838
182: ok 8839
182: ok 8840
182: ok 8841
182: ok 8842
182: ok 8843
182: ok 8844
182: ok 8845
182: ok 8846
182: ok 8847
182: ok 8848
182: ok 8849
182: ok 8850
182: ok 8851
182: ok 8852
182: ok 8853
182: ok 8854
182: ok 8855
182: ok 8856
182: ok 8857
182: ok 8858
182: ok 8859
182: ok 8860
182: ok 8861
182: ok 8862
182: ok 8863
182: ok 8864
182: ok 8865
182: ok 8866
182: ok 8867
182: ok 8868
182: ok 8869
182: ok 8870
182: ok 8871
182: ok 8872
182: ok 8873
182: ok 8874
182: ok 8875
182: ok 8876
182: ok 8877
182: ok 8878
182: ok 8879
182: ok 8880
182: ok 8881
182: ok 8882
182: ok 8883
182: ok 8884
182: ok 8885
182: ok 8886
182: ok 8887
182: ok 8888
182: ok 8889
182: ok 8890
182: ok 8891
182: ok 8892
182: ok 8893
182: ok 8894
182: ok 8895
182: ok 8896
182: ok 8897
182: ok 8898
182: ok 8899
182: ok 8900
182: ok 8901
182: ok 8902
182: ok 8903
182: ok 8904
182: ok 8905
182: ok 8906
182: ok 8907
182: ok 8908
182: ok 8909
182: ok 8910
182: ok 8911
182: ok 8912
182: ok 8913
182: ok 8914
182: ok 8915
182: ok 8916
182: ok 8917
182: ok 8918
182: ok 8919
182: ok 8920
182: ok 8921
182: ok 8922
182: ok 8923
182: ok 8924
182: ok 8925
182: ok 8926
182: ok 8927
182: ok 8928
182: ok 8929
182: ok 8930
182: ok 8931
182: ok 8932
182: ok 8933
182: ok 8934
182: ok 8935
182: ok 8936
182: ok 8937
182: ok 8938
182: ok 8939
182: ok 8940
182: ok 8941
182: ok 8942
182: ok 8943
182: ok 8944
182: ok 8945
182: ok 8946
182: ok 8947
182: ok 8948
182: ok 8949
182: ok 8950
182: ok 8951
182: ok 8952
182: ok 8953
182: ok 8954
182: ok 8955
182: ok 8956
182: ok 8957
182: ok 8958
182: ok 8959
182: ok 8960
182: ok 8961
182: ok 8962
182: ok 8963
182: ok 8964
182: ok 8965
182: ok 8966
182: ok 8967
182: ok 8968
182: ok 8969
182: ok 8970
182: ok 8971
182: ok 8972
182: ok 8973
182: ok 8974
182: ok 8975
182: ok 8976
182: ok 8977
182: ok 8978
182: ok 8979
182: ok 8980
182: ok 8981
182: ok 8982
182: ok 8983
182: ok 8984
182: ok 8985
182: ok 8986
182: ok 8987
182: ok 8988
182: ok 8989
182: ok 8990
182: ok 8991
182: ok 8992
182: ok 8993
182: ok 8994
182: ok 8995
182: ok 8996
182: ok 8997
182: ok 8998
182: ok 8999
182: ok 9000
182: ok 9001
182: ok 9002
182: ok 9003
182: ok 9004
182: ok 9005
182: ok 9006
182: ok 9007
182: ok 9008
182: ok 9009
182: ok 9010
182: ok 9011
182: ok 9012
182: ok 9013
182: ok 9014
182: ok 9015
182: ok 9016
182: ok 9017
182: ok 9018
182: ok 9019
182: ok 9020
182: ok 9021
182: ok 9022
182: ok 9023
182: ok 9024
182: ok 9025
182: ok 9026
182: ok 9027
182: ok 9028
182: ok 9029
182: ok 9030
182: ok 9031
182: ok 9032
182: ok 9033
182: ok 9034
182: ok 9035
182: ok 9036
182: ok 9037
182: ok 9038
182: ok 9039
182: ok 9040
182: ok 9041
182: ok 9042
182: ok 9043
182: ok 9044
182: ok 9045
182: ok 9046
182: ok 9047
182: ok 9048
182: ok 9049
182: ok 9050
182: ok 9051
182: ok 9052
182: ok 9053
182: ok 9054
182: ok 9055
182: ok 9056
182: ok 9057
182: ok 9058
182: ok 9059
182: ok 9060
182: ok 9061
182: ok 9062
182: ok 9063
182: ok 9064
182: ok 9065
182: ok 9066
182: ok 9067
182: ok 9068
182: ok 9069
182: ok 9070
182: ok 9071
182: ok 9072
182: ok 9073
182: ok 9074
182: ok 9075
182: ok 9076
182: ok 9077
182: ok 9078
182: ok 9079
182: ok 9080
182: ok 9081
182: ok 9082
182: ok 9083
182: ok 9084
182: ok 9085
182: ok 9086
182: ok 9087
182: ok 9088
182: ok 9089
182: ok 9090
182: ok 9091
182: ok 9092
182: ok 9093
182: ok 9094
182: ok 9095
182: ok 9096
182: ok 9097
182: ok 9098
182: ok 9099
182: ok 9100
182: ok 9101
182: ok 9102
182: ok 9103
182: ok 9104
182: ok 9105
182: ok 9106
182: ok 9107
182: ok 9108
182: ok 9109
182: ok 9110
182: ok 9111
182: ok 9112
182: ok 9113
182: ok 9114
182: ok 9115
182: ok 9116
182: ok 9117
182: ok 9118
182: ok 9119
182: ok 9120
182: ok 9121
182: ok 9122
182: ok 9123
182: ok 9124
182: ok 9125
182: ok 9126
182: ok 9127
182: ok 9128
182: ok 9129
182: ok 9130
182: ok 9131
182: ok 9132
182: ok 9133
182: ok 9134
182: ok 9135
182: ok 9136
182: ok 9137
182: ok 9138
182: ok 9139
182: ok 9140
182: ok 9141
182: ok 9142
182: ok 9143
182: ok 9144
182: ok 9145
182: ok 9146
182: ok 9147
182: ok 9148
182: ok 9149
182: ok 9150
182: ok 9151
182: ok 9152
182: ok 9153
182: ok 9154
182: ok 9155
182: ok 9156
182: ok 9157
182: ok 9158
182: ok 9159
182: ok 9160
182: ok 9161
182: ok 9162
182: ok 9163
182: ok 9164
182: ok 9165
182: ok 9166
182: ok 9167
182: ok 9168
182: ok 9169
182: ok 9170
182: ok 9171
182: ok 9172
182: ok 9173
182: ok 9174
182: ok 9175
182: ok 9176
182: ok 9177
182: ok 9178
182: ok 9179
182: ok 9180
182: ok 9181
182: ok 9182
182: ok 9183
182: ok 9184
182: ok 9185
182: ok 9186
182: ok 9187
182: ok 9188
182: ok 9189
182: ok 9190
182: ok 9191
182: ok 9192
182: ok 9193
182: ok 9194
182: ok 9195
182: ok 9196
182: ok 9197
182: ok 9198
182: ok 9199
182: ok 9200
182: ok 9201
182: ok 9202
182: ok 9203
182: ok 9204
182: ok 9205
182: ok 9206
182: ok 9207
182: ok 9208
182: ok 9209
182: ok 9210
182: ok 9211
182: ok 9212
182: ok 9213
182: ok 9214
182: ok 9215
182: ok 9216
182: ok 9217
182: ok 9218
182: ok 9219
182: ok 9220
182: ok 9221
182: ok 9222
182: ok 9223
182: ok 9224
182: ok 9225
182: ok 9226
182: ok 9227
182: ok 9228
182: ok 9229
182: ok 9230
182: ok 9231
182: ok 9232
182: ok 9233
182: ok 9234
182: ok 9235
182: ok 9236
182: ok 9237
182: ok 9238
182: ok 9239
182: ok 9240
182: ok 9241
182: ok 9242
182: ok 9243
182: ok 9244
182: ok 9245
182: ok 9246
182: ok 9247
182: ok 9248
182: ok 9249
182: ok 9250
182: ok 9251
182: ok 9252
182: ok 9253
182: ok 9254
182: ok 9255
182: ok 9256
182: ok 9257
182: ok 9258
182: ok 9259
182: ok 9260
182: ok 9261
182: ok 9262
182: ok 9263
182: ok 9264
182: ok 9265
182: ok 9266
182: ok 9267
182: ok 9268
182: ok 9269
182: ok 9270
182: ok 9271
182: ok 9272
182: ok 9273
182: ok 9274
182: ok 9275
182: ok 9276
182: ok 9277
182: ok 9278
182: ok 9279
182: ok 9280
182: ok 9281
182: ok 9282
182: ok 9283
182: ok 9284
182: ok 9285
182: ok 9286
182: ok 9287
182: ok 9288
182: ok 9289
182: ok 9290
182: ok 9291
182: ok 9292
182: ok 9293
182: ok 9294
182: ok 9295
182: ok 9296
182: ok 9297
182: ok 9298
182: ok 9299
182: ok 9300
182: ok 9301
182: ok 9302
182: ok 9303
182: ok 9304
182: ok 9305
182: ok 9306
182: ok 9307
182: ok 9308
182: ok 9309
182: ok 9310
182: ok 9311
182: ok 9312
182: ok 9313
182: ok 9314
182: ok 9315
182: ok 9316
182: ok 9317
182: ok 9318
182: ok 9319
182: ok 9320
182: ok 9321
182: ok 9322
182: ok 9323
182: ok 9324
182: ok 9325
182: ok 9326
182: ok 9327
182: ok 9328
182: ok 9329
182: ok 9330
182: ok 9331
182: ok 9332
182: ok 9333
182: ok 9334
182: ok 9335
182: ok 9336
182: ok 9337
182: ok 9338
182: ok 9339
182: ok 9340
182: ok 9341
182: ok 9342
182: ok 9343
182: ok 9344
182: ok 9345
182: ok 9346
182: ok 9347
182: ok 9348
182: ok 9349
182: ok 9350
182: ok 9351
182: ok 9352
182: ok 9353
182: ok 9354
182: ok 9355
182: ok 9356
182: ok 9357
182: ok 9358
182: ok 9359
182: ok 9360
182: ok 9361
182: ok 9362
182: ok 9363
182: ok 9364
182: ok 9365
182: ok 9366
182: ok 9367
182: ok 9368
182: ok 9369
182: ok 9370
182: ok 9371
182: ok 9372
182: ok 9373
182: ok 9374
182: ok 9375
182: ok 9376
182: ok 9377
182: ok 9378
182: ok 9379
182: ok 9380
182: ok 9381
182: ok 9382
182: ok 9383
182: ok 9384
182: ok 9385
182: ok 9386
182: ok 9387
182: ok 9388
182: ok 9389
182: ok 9390
182: ok 9391
182: ok 9392
182: ok 9393
182: ok 9394
182: ok 9395
182: ok 9396
182: ok 9397
182: ok 9398
182: ok 9399
182: ok 9400
182: ok 9401
182: ok 9402
182: ok 9403
182: ok 9404
182: ok 9405
182: ok 9406
182: ok 9407
182: ok 9408
182: ok 9409
182: ok 9410
182: ok 9411
182: ok 9412
182: ok 9413
182: ok 9414
182: ok 9415
182: ok 9416
182: ok 9417
182: ok 9418
182: ok 9419
182: ok 9420
182: ok 9421
182: ok 9422
182: ok 9423
182: ok 9424
182: ok 9425
182: ok 9426
182: ok 9427
182: ok 9428
182: ok 9429
182: ok 9430
182: ok 9431
182: ok 9432
182: ok 9433
182: ok 9434
182: ok 9435
182: ok 9436
182: ok 9437
182: ok 9438
182: ok 9439
182: ok 9440
182: ok 9441
182: ok 9442
182: ok 9443
182: ok 9444
182: ok 9445
182: ok 9446
182: ok 9447
182: ok 9448
182: ok 9449
182: ok 9450
182: ok 9451
182: ok 9452
182: ok 9453
182: ok 9454
182: ok 9455
182: ok 9456
182: ok 9457
182: ok 9458
182: ok 9459
182: ok 9460
182: ok 9461
182: ok 9462
182: ok 9463
182: ok 9464
182: ok 9465
182: ok 9466
182: ok 9467
182: ok 9468
182: ok 9469
182: ok 9470
182: ok 9471
182: ok 9472
182: ok 9473
182: ok 9474
182: ok 9475
182: ok 9476
182: ok 9477
182: ok 9478
182: ok 9479
182: ok 9480
182: ok 9481
182: ok 9482
182: ok 9483
182: ok 9484
182: ok 9485
182: ok 9486
182: ok 9487
182: ok 9488
182: ok 9489
182: ok 9490
182: ok 9491
182: ok 9492
182: ok 9493
182: ok 9494
182: ok 9495
182: ok 9496
182: ok 9497
182: ok 9498
182: ok 9499
182: ok 9500
182: ok 9501
182: ok 9502
182: ok 9503
182: ok 9504
182: ok 9505
182: ok 9506
182: ok 9507
182: ok 9508
182: ok 9509
182: ok 9510
182: ok 9511
182: ok 9512
182: ok 9513
182: ok 9514
182: ok 9515
182: ok 9516
182: ok 9517
182: ok 9518
182: ok 9519
182: ok 9520
182: ok 9521
182: ok 9522
182: ok 9523
182: ok 9524
182: ok 9525
182: ok 9526
182: ok 9527
182: ok 9528
182: ok 9529
182: ok 9530
182: ok 9531
182: ok 9532
182: ok 9533
182: ok 9534
182: ok 9535
182: ok 9536
182: ok 9537
182: ok 9538
182: ok 9539
182: ok 9540
182: ok 9541
182: ok 9542
182: ok 9543
182: ok 9544
182: ok 9545
182: ok 9546
182: ok 9547
182: ok 9548
182: ok 9549
182: ok 9550
182: ok 9551
182: ok 9552
182: ok 9553
182: ok 9554
182: ok 9555
182: ok 9556
182: ok 9557
182: ok 9558
182: ok 9559
182: ok 9560
182: ok 9561
182: ok 9562
182: ok 9563
182: ok 9564
182: ok 9565
182: ok 9566
182: ok 9567
182: ok 9568
182: ok 9569
182: ok 9570
182: ok 9571
182: ok 9572
182: ok 9573
182: ok 9574
182: ok 9575
182: ok 9576
182: ok 9577
182: ok 9578
182: ok 9579
182: ok 9580
182: ok 9581
182: ok 9582
182: ok 9583
182: ok 9584
182: ok 9585
182: ok 9586
182: ok 9587
182: ok 9588
182: ok 9589
182: ok 9590
182: ok 9591
182: ok 9592
182: ok 9593
182: ok 9594
182: ok 9595
182: ok 9596
182: ok 9597
182: ok 9598
182: ok 9599
182: ok 9600
182: ok 9601
182: ok 9602
182: ok 9603
182: ok 9604
182: ok 9605
182: ok 9606
182: ok 9607
182: ok 9608
182: ok 9609
182: ok 9610
182: ok 9611
182: ok 9612
182: ok 9613
182: ok 9614
182: ok 9615
182: ok 9616
182: ok 9617
182: ok 9618
182: ok 9619
182: ok 9620
182: ok 9621
182: ok 9622
182: ok 9623
182: ok 9624
182: ok 9625
182: ok 9626
182: ok 9627
182: ok 9628
182: ok 9629
182: ok 9630
182: ok 9631
182: ok 9632
182: ok 9633
182: ok 9634
182: ok 9635
182: ok 9636
182: ok 9637
182: ok 9638
182: ok 9639
182: ok 9640
182: ok 9641
182: ok 9642
182: ok 9643
182: ok 9644
182: ok 9645
182: ok 9646
182: ok 9647
182: ok 9648
182: ok 9649
182: ok 9650
182: ok 9651
182: ok 9652
182: ok 9653
182: ok 9654
182: ok 9655
182: ok 9656
182: ok 9657
182: ok 9658
182: ok 9659
182: ok 9660
182: ok 9661
182: ok 9662
182: ok 9663
182: ok 9664
182: ok 9665
182: ok 9666
182: ok 9667
182: ok 9668
182: ok 9669
182: ok 9670
182: ok 9671
182: ok 9672
182: ok 9673
182: ok 9674
182: ok 9675
182: ok 9676
182: ok 9677
182: ok 9678
182: ok 9679
182: ok 9680
182: ok 9681
182: ok 9682
182: ok 9683
182: ok 9684
182: ok 9685
182: ok 9686
182: ok 9687
182: ok 9688
182: ok 9689
182: ok 9690
182: ok 9691
182: ok 9692
182: ok 9693
182: ok 9694
182: ok 9695
182: ok 9696
182: ok 9697
182: ok 9698
182: ok 9699
182: ok 9700
182: ok 9701
182: ok 9702
182: ok 9703
182: ok 9704
182: ok 9705
182: ok 9706
182: ok 9707
182: ok 9708
182: ok 9709
182: ok 9710
182: ok 9711
182: ok 9712
182: ok 9713
182: ok 9714
182: ok 9715
182: ok 9716
182: ok 9717
182: ok 9718
182: ok 9719
182: ok 9720
182: ok 9721
182: ok 9722
182: ok 9723
182: ok 9724
182: ok 9725
182: ok 9726
182: ok 9727
182: ok 9728
182: ok 9729
182: ok 9730
182: ok 9731
182: ok 9732
182: ok 9733
182: ok 9734
182: ok 9735
182: ok 9736
182: ok 9737
182: ok 9738
182: ok 9739
182: ok 9740
182: ok 9741
182: ok 9742
182: ok 9743
182: ok 9744
182: ok 9745
182: ok 9746
182: ok 9747
182: ok 9748
182: ok 9749
182: ok 9750
182: ok 9751
182: ok 9752
182: ok 9753
182: ok 9754
182: ok 9755
182: ok 9756
182: ok 9757
182: ok 9758
182: ok 9759
182: ok 9760
182: ok 9761
182: ok 9762
182: ok 9763
182: ok 9764
182: ok 9765
182: ok 9766
182: ok 9767
182: ok 9768
182: ok 9769
182: ok 9770
182: ok 9771
182: ok 9772
182: ok 9773
182: ok 9774
182: ok 9775
182: ok 9776
182: ok 9777
182: ok 9778
182: ok 9779
182: ok 9780
182: ok 9781
182: ok 9782
182: ok 9783
182: ok 9784
182: ok 9785
182: ok 9786
182: ok 9787
182: ok 9788
182: ok 9789
182: ok 9790
182: ok 9791
182: ok 9792
182: ok 9793
182: ok 9794
182: ok 9795
182: ok 9796
182: ok 9797
182: ok 9798
182: ok 9799
182: ok 9800
182: ok 9801
182: ok 9802
182: ok 9803
182: ok 9804
182: ok 9805
182: ok 9806
182: ok 9807
182: ok 9808
182: ok 9809
182: ok 9810
182: ok 9811
182: ok 9812
182: ok 9813
182: ok 9814
182: ok 9815
182: ok 9816
182: ok 9817
182: ok 9818
182: ok 9819
182: ok 9820
182: ok 9821
182: ok 9822
182: ok 9823
182: ok 9824
182: ok 9825
182: ok 9826
182: ok 9827
182: ok 9828
182: ok 9829
182: ok 9830
182: ok 9831
182: ok 9832
182: ok 9833
182: ok 9834
182: ok 9835
182: ok 9836
182: ok 9837
182: ok 9838
182: ok 9839
182: ok 9840
182: ok 9841
182: ok 9842
182: ok 9843
182: ok 9844
182: ok 9845
182: ok 9846
182: ok 9847
182: ok 9848
182: ok 9849
182: ok 9850
182: ok 9851
182: ok 9852
182: ok 9853
182: ok 9854
182: ok 9855
182: ok 9856
182: ok 9857
182: ok 9858
182: ok 9859
182: ok 9860
182: ok 9861
182: ok 9862
182: ok 9863
182: ok 9864
182: ok 9865
182: ok 9866
182: ok 9867
182: ok 9868
182: ok 9869
182: ok 9870
182: ok 9871
182: ok 9872
182: ok 9873
182: ok 9874
182: ok 9875
182: ok 9876
182: ok 9877
182: ok 9878
182: ok 9879
182: ok 9880
182: ok 9881
182: ok 9882
182: ok 9883
182: ok 9884
182: ok 9885
182: ok 9886
182: ok 9887
182: ok 9888
182: ok 9889
182: ok 9890
182: ok 9891
182: ok 9892
182: ok 9893
182: ok 9894
182: ok 9895
182: ok 9896
182: ok 9897
182: ok 9898
182: ok 9899
182: ok 9900
182: ok 9901
182: ok 9902
182: ok 9903
182: ok 9904
182: ok 9905
182: ok 9906
182: ok 9907
182: ok 9908
182: ok 9909
182: ok 9910
182: ok 9911
182: ok 9912
182: ok 9913
182: ok 9914
182: ok 9915
182: ok 9916
182: ok 9917
182: ok 9918
182: ok 9919
182: ok 9920
182: ok 9921
182: ok 9922
182: ok 9923
182: ok 9924
182: ok 9925
182: ok 9926
182: ok 9927
182: ok 9928
182: ok 9929
182: ok 9930
182: ok 9931
182: ok 9932
182: ok 9933
182: ok 9934
182: ok 9935
182: ok 9936
182: ok 9937
182: ok 9938
182: ok 9939
182: ok 9940
182: ok 9941
182: ok 9942
182: ok 9943
182: ok 9944
182: ok 9945
182: ok 9946
182: ok 9947
182: ok 9948
182: ok 9949
182: ok 9950
182: ok 9951
182: ok 9952
182: ok 9953
182: ok 9954
182: ok 9955
182: ok 9956
182: ok 9957
182: ok 9958
182: ok 9959
182: ok 9960
182: ok 9961
182: ok 9962
182: ok 9963
182: ok 9964
182: ok 9965
182: ok 9966
182: ok 9967
182: ok 9968
182: ok 9969
182: ok 9970
182: ok 9971
182: ok 9972
182: ok 9973
182: ok 9974
182: ok 9975
182: ok 9976
182: ok 9977
182: ok 9978
182: ok 9979
182: ok 9980
182: ok 9981
182: ok 9982
182: ok 9983
182: ok 9984
182: ok 9985
182: ok 9986
182: ok 9987
182: ok 9988
182: ok 9989
182: ok 9990
182: ok 9991
182: ok 9992
182: ok 9993
182: ok 9994
182: ok 9995
182: ok 9996
182: ok 9997
182: ok 9998
182: ok 9999
182: ok 10000
182: ok 10001
182: ok 10002
182: ok 10003
182: ok 10004
182: ok 10005
182: ok 10006
182: ok 10007
182: ok 10008
182: ok 10009
182: ok 10010
182: ok 10011
182: ok 10012
182: ok 10013
182: ok 10014
182: ok 10015
182: ok 10016
182: ok 10017
182: ok 10018
182: ok 10019
182: ok 10020
182: ok 10021
182: ok 10022
182: ok 10023
182: ok 10024
182: ok 10025
182: ok 10026
182: ok 10027
182: ok 10028
182: ok 10029
182: ok 10030
182: ok 10031
182: ok 10032
182: ok 10033
182: ok 10034
182: ok 10035
182: ok 10036
182: ok 10037
182: ok 10038
182: ok 10039
182: ok 10040
182: ok 10041
182: ok 10042
182: ok 10043
182: ok 10044
182: ok 10045
182: ok 10046
182: ok 10047
182: ok 10048
182: ok 10049
182: ok 10050
182: ok 10051
182: ok 10052
182: ok 10053
182: ok 10054
182: ok 10055
182: ok 10056
182: ok 10057
182: ok 10058
182: ok 10059
182: ok 10060
182: ok 10061
182: ok 10062
182: ok 10063
182: ok 10064
182: ok 10065
182: ok 10066
182: ok 10067
182: ok 10068
182: ok 10069
182: ok 10070
182: ok 10071
182: ok 10072
182: ok 10073
182: ok 10074
182: ok 10075
182: ok 10076
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182: ok 10078
182: ok 10079
182: ok 10080
182: ok 10081
182: ok 10082
182: ok 10083
182: ok 10084
182: ok 10085
182: ok 10086
182: ok 10087
182: ok 10088
182: ok 10089
182: ok 10090
182: ok 10091
182: ok 10092
182: ok 10093
182: ok 10094
182: ok 10095
182: ok 10096
182: ok 10097
182: ok 10098
182: ok 10099
182: ok 10100
182: ok 10101
182: ok 10102
182: ok 10103
182: ok 10104
182: ok 10105
182: ok 10106
182: ok 10107
182: ok 10108
182: ok 10109
182: ok 10110
182: ok 10111
182: ok 10112
182: ok 10113
182: ok 10114
182: ok 10115
182: ok 10116
182: ok 10117
182: ok 10118
182: ok 10119
182: ok 10120
182: ok 10121
182: ok 10122
182: ok 10123
182: ok 10124
182: ok 10125
182: ok 10126
182: ok 10127
182: ok 10128
182: ok 10129
182: ok 10130
182: ok 10131
182: ok 10132
182: ok 10133
182: ok 10134
182: ok 10135
182: ok 10136
182: ok 10137
182: ok 10138
182: ok 10139
182: ok 10140
182: ok 10141
182: ok 10142
182: ok 10143
182: ok 10144
182: ok 10145
182: ok 10146
182: ok 10147
182: ok 10148
182: ok 10149
182: ok 10150
182: ok 10151
182: ok 10152
182: ok 10153
182: ok 10154
182: ok 10155
182: ok 10156
182: ok 10157
182: ok 10158
182: ok 10159
182: ok 10160
182: ok 10161
182: ok 10162
182: ok 10163
182: ok 10164
182: ok 10165
182: ok 10166
182: ok 10167
182: ok 10168
182: ok 10169
182: ok 10170
182: ok 10171
182: ok 10172
182: ok 10173
182: ok 10174
182: ok 10175
182: ok 10176
182: ok 10177
182: ok 10178
182: ok 10179
182: ok 10180
182: ok 10181
182: ok 10182
182: ok 10183
182: ok 10184
182: ok 10185
182: ok 10186
182: ok 10187
182: ok 10188
182: ok 10189
182: ok 10190
182: ok 10191
182: ok 10192
182: ok 10193
182: ok 10194
182: ok 10195
182: ok 10196
182: ok 10197
182: ok 10198
182: ok 10199
182: ok 10200
182: ok 10201
182: ok 10202
182: ok 10203
182: ok 10204
182: ok 10205
182: ok 10206
182: ok 10207
182: ok 10208
182: ok 10209
182: ok 10210
182: ok 10211
182: ok 10212
182: ok 10213
182: ok 10214
182: ok 10215
182: ok 10216
182: ok 10217
182: ok 10218
182: ok 10219
182: ok 10220
182: ok 10221
182: ok 10222
182: ok 10223
182: ok 10224
182: ok 10225
182: ok 10226
182: ok 10227
182: ok 10228
182: ok 10229
182: ok 10230
182: ok 10231
182: ok 10232
182: ok 10233
182: ok 10234
182: ok 10235
182: ok 10236
182: ok 10237
182: ok 10238
182: ok 10239
182: ok 10240
182: ok 10241
182: ok 10242
182: ok 10243
182: ok 10244
182: ok 10245
182: ok 10246
182: ok 10247
182: ok 10248
182: ok 10249
182: ok 10250
182: ok 10251
182: ok 10252
182: ok 10253
182: ok 10254
182: ok 10255
182: ok 10256
182: ok 10257
182: ok 10258
182: ok 10259
182: ok 10260
182: ok 10261
182: ok 10262
182: ok 10263
182: ok 10264
182: ok 10265
182: ok 10266
182: ok 10267
182: ok 10268
182: ok 10269
182: ok 10270
182: ok 10271
182: ok 10272
182: ok 10273
182: ok 10274
182: ok 10275
182: ok 10276
182: ok 10277
182: ok 10278
182: ok 10279
182: ok 10280
182: ok 10281
182: ok 10282
182: ok 10283
182: ok 10284
182: ok 10285
182: ok 10286
182: ok 10287
182: ok 10288
182: ok 10289
182: ok 10290
182: ok 10291
182: ok 10292
182: ok 10293
182: ok 10294
182: ok 10295
182: ok 10296
182: ok 10297
182: ok 10298
182: ok 10299
182: ok 10300
182: ok 10301
182: ok 10302
182: ok 10303
182: ok 10304
182: ok 10305
182: ok 10306
182: ok 10307
182: ok 10308
182: ok 10309
182: ok 10310
182: ok 10311
182: ok 10312
182: ok 10313
182: ok 10314
182: ok 10315
182: ok 10316
182: ok 10317
182: ok 10318
182: ok 10319
182: ok 10320
182: ok 10321
182: ok 10322
182: ok 10323
182: ok 10324
182: ok 10325
182: ok 10326
182: ok 10327
182: ok 10328
182: ok 10329
182: ok 10330
182: ok 10331
182: ok 10332
182: ok 10333
182: ok 10334
182: ok 10335
182: ok 10336
182: ok 10337
182: ok 10338
182: ok 10339
182: ok 10340
182: ok 10341
182: ok 10342
182: ok 10343
182: ok 10344
182: ok 10345
182: ok 10346
182: ok 10347
182: ok 10348
182: ok 10349
182: ok 10350
182: ok 10351
182: ok 10352
182: ok 10353
182: ok 10354
182: ok 10355
182: ok 10356
182: ok 10357
182: ok 10358
182: ok 10359
182: ok 10360
182: ok 10361
182: ok 10362
182: ok 10363
182: ok 10364
182: ok 10365
182: ok 10366
182: ok 10367
182: ok 10368
182: ok 10369
182: ok 10370
182: ok 10371
182: ok 10372
182: ok 10373
182: ok 10374
182: ok 10375
182: ok 10376
182: ok 10377
182: ok 10378
182: ok 10379
182: ok 10380
182: ok 10381
182: ok 10382
182: ok 10383
182: ok 10384
182: ok 10385
182: ok 10386
182: ok 10387
182: ok 10388
182: ok 10389
182: ok 10390
182: ok 10391
182: ok 10392
182: ok 10393
182: ok 10394
182: ok 10395
182: ok 10396
182: ok 10397
182: ok 10398
182: ok 10399
182: ok 10400
182: ok 10401
182: ok 10402
182: ok 10403
182: ok 10404
182: ok 10405
182: ok 10406
182: ok 10407
182: ok 10408
182: ok 10409
182: ok 10410
182: ok 10411
182: ok 10412
182: ok 10413
182: ok 10414
182: ok 10415
182: ok 10416
182: ok 10417
182: ok 10418
182: ok 10419
182: ok 10420
182: ok 10421
182: ok 10422
182: ok 10423
182: ok 10424
182: ok 10425
182: ok 10426
182: ok 10427
182: ok 10428
182: ok 10429
182: ok 10430
182: ok 10431
182: ok 10432
182: ok 10433
182: ok 10434
182: ok 10435
182: ok 10436
182: ok 10437
182: ok 10438
182: ok 10439
182: ok 10440
182: ok 10441
182: ok 10442
182: ok 10443
182: ok 10444
182: ok 10445
182: ok 10446
182: ok 10447
182: ok 10448
182: ok 10449
182: ok 10450
182: ok 10451
182: ok 10452
182: ok 10453
182: ok 10454
182: ok 10455
182: ok 10456
182: ok 10457
182: ok 10458
182: ok 10459
182: ok 10460
182: ok 10461
182: ok 10462
182: ok 10463
182: ok 10464
182: ok 10465
182: ok 10466
182: ok 10467
182: ok 10468
182: ok 10469
182: ok 10470
182: ok 10471
182: ok 10472
182: ok 10473
182: ok 10474
182: ok 10475
182: ok 10476
182: ok 10477
182: ok 10478
182: ok 10479
182: ok 10480
182: ok 10481
182: ok 10482
182: ok 10483
182: ok 10484
182: ok 10485
182: ok 10486
182: ok 10487
182: ok 10488
182: ok 10489
182: ok 10490
182: ok 10491
182: ok 10492
182: ok 10493
182: ok 10494
182: ok 10495
182: ok 10496
182: ok 10497
182: ok 10498
182: ok 10499
182: ok 10500
182: ok 10501
182: ok 10502
182: ok 10503
182: ok 10504
182: ok 10505
182: ok 10506
182: ok 10507
182: ok 10508
182: ok 10509
182: ok 10510
182: ok 10511
182: ok 10512
182: ok 10513
182: ok 10514
182: ok 10515
182: ok 10516
182: ok 10517
182: ok 10518
182: ok 10519
182: ok 10520
182: ok 10521
182: ok 10522
182: ok 10523
182: ok 10524
182: ok 10525
182: ok 10526
182: ok 10527
182: ok 10528
182: ok 10529
182: ok 10530
182: ok 10531
182: ok 10532
182: ok 10533
182: ok 10534
182: ok 10535
182: ok 10536
182: ok 10537
182: ok 10538
182: ok 10539
182: ok 10540
182: ok 10541
182: ok 10542
182: ok 10543
182: ok 10544
182: ok 10545
182: ok 10546
182: ok 10547
182: ok 10548
182: ok 10549
182: ok 10550
182: ok 10551
182: ok 10552
182: ok 10553
182: ok 10554
182: ok 10555
182: ok 10556
182: ok 10557
182: ok 10558
182: ok 10559
182: ok 10560
182: ok 10561
182: ok 10562
182: ok 10563
182: ok 10564
182: ok 10565
182: ok 10566
182: ok 10567
182: ok 10568
182: ok 10569
182: ok 10570
182: ok 10571
182: ok 10572
182: ok 10573
182: ok 10574
182: ok 10575
182: ok 10576
182: ok 10577
182: ok 10578
182: ok 10579
182: ok 10580
182: ok 10581
182: ok 10582
182: ok 10583
182: ok 10584
182: ok 10585
182: ok 10586
182: ok 10587
182: ok 10588
182: ok 10589
182: ok 10590
182: ok 10591
182: ok 10592
182: ok 10593
182: ok 10594
182: ok 10595
182: ok 10596
182: ok 10597
182: ok 10598
182: ok 10599
182: ok 10600
182: ok 10601
182: ok 10602
182: ok 10603
182: ok 10604
182: ok 10605
182: ok 10606
182: ok 10607
182: ok 10608
182: ok 10609
182: ok 10610
182: ok 10611
182: ok 10612
182: ok 10613
182: ok 10614
182: ok 10615
182: ok 10616
182: ok 10617
182: ok 10618
182: ok 10619
182: ok 10620
182: ok 10621
182: ok 10622
182: ok 10623
182: ok 10624
182: ok 10625
182: ok 10626
182: ok 10627
182: ok 10628
182: ok 10629
182: ok 10630
182: ok 10631
182: ok 10632
182: ok 10633
182: ok 10634
182: ok 10635
182: ok 10636
182: ok 10637
182: ok 10638
182: ok 10639
182: ok 10640
182: ok 10641
182: ok 10642
182: ok 10643
182: ok 10644
182: ok 10645
182: ok 10646
182: ok 10647
182: ok 10648
182: ok 10649
182: ok 10650
182: ok 10651
182: ok 10652
182: ok 10653
182: ok 10654
182: ok 10655
182: ok 10656
182: ok 10657
182: ok 10658
182: ok 10659
182: ok 10660
182: ok 10661
182: ok 10662
182: ok 10663
182: ok 10664
182: ok 10665
182: ok 10666
182: ok 10667
182: ok 10668
182: ok 10669
182: ok 10670
182: ok 10671
182: ok 10672
182: ok 10673
182: ok 10674
182: ok 10675
182: ok 10676
182: ok 10677
182: ok 10678
182: ok 10679
182: ok 10680
182: ok 10681
182: ok 10682
182: ok 10683
182: ok 10684
182: ok 10685
182: ok 10686
182: ok 10687
182: ok 10688
182: ok 10689
182: ok 10690
182: ok 10691
182: ok 10692
182: ok 10693
182: ok 10694
182: ok 10695
182: ok 10696
182: ok 10697
182: ok 10698
182: ok 10699
182: ok 10700
182: ok 10701
182: ok 10702
182: ok 10703
182: ok 10704
182: ok 10705
182: ok 10706
182: ok 10707
182: ok 10708
182: ok 10709
182: ok 10710
182: ok 10711
182: ok 10712
182: ok 10713
182: ok 10714
182: ok 10715
182: ok 10716
182: ok 10717
182: ok 10718
182: ok 10719
182: ok 10720
182: ok 10721
182: ok 10722
182: ok 10723
182: ok 10724
182: ok 10725
182: ok 10726
182: ok 10727
182: ok 10728
182: ok 10729
182: ok 10730
182: ok 10731
182: ok 10732
182: ok 10733
182: ok 10734
182: ok 10735
182: ok 10736
182: ok 10737
182: ok 10738
182: ok 10739
182: ok 10740
182: ok 10741
182: ok 10742
182: ok 10743
182: ok 10744
182: ok 10745
182: ok 10746
182: ok 10747
182: ok 10748
182: ok 10749
182: ok 10750
182: ok 10751
182: ok 10752
182: ok 10753
182: ok 10754
182: ok 10755
182: ok 10756
182: ok 10757
182: ok 10758
182: ok 10759
182: ok 10760
182: ok 10761
182: ok 10762
182: ok 10763
182: ok 10764
182: ok 10765
182: ok 10766
182: ok 10767
182: ok 10768
182: ok 10769
182: ok 10770
182: ok 10771
182: ok 10772
182: ok 10773
182: ok 10774
182: ok 10775
182: ok 10776
182: ok 10777
182: ok 10778
182: ok 10779
182: ok 10780
182: ok 10781
182: ok 10782
182: ok 10783
182: ok 10784
182: ok 10785
182: ok 10786
182: ok 10787
182: ok 10788
182: ok 10789
182: ok 10790
182: ok 10791
182: ok 10792
182: ok 10793
182: ok 10794
182: ok 10795
182: ok 10796
182: ok 10797
182: ok 10798
182: ok 10799
182: ok 10800
182: ok 10801
182: ok 10802
182: ok 10803
182: ok 10804
182: ok 10805
182: ok 10806
182: ok 10807
182: ok 10808
182: ok 10809
182: ok 10810
182: ok 10811
182: ok 10812
182: ok 10813
182: ok 10814
182: ok 10815
182: ok 10816
182: ok 10817
182: ok 10818
182: ok 10819
182: ok 10820
182: ok 10821
182: ok 10822
182: ok 10823
182: ok 10824
182: ok 10825
182: ok 10826
182: ok 10827
182: ok 10828
182: ok 10829
182: ok 10830
182: ok 10831
182: ok 10832
182: ok 10833
182: ok 10834
182: ok 10835
182: ok 10836
182: ok 10837
182: ok 10838
182: ok 10839
182: ok 10840
182: ok 10841
182: ok 10842
182: ok 10843
182: ok 10844
182: ok 10845
182: ok 10846
182: ok 10847
182: ok 10848
182: ok 10849
182: ok 10850
182: ok 10851
182: ok 10852
182: ok 10853
182: ok 10854
182: ok 10855
182: ok 10856
182: ok 10857
182: ok 10858
182: ok 10859
182: ok 10860
182: ok 10861
182: ok 10862
182: ok 10863
182: ok 10864
182: ok 10865
182: ok 10866
182: ok 10867
182: ok 10868
182: ok 10869
182: ok 10870
182: ok 10871
182: ok 10872
182: ok 10873
182: ok 10874
182: ok 10875
182: ok 10876
182: ok 10877
182: ok 10878
182: ok 10879
182: ok 10880
182: ok 10881
182: ok 10882
182: ok 10883
182: ok 10884
182: ok 10885
182: ok 10886
182: ok 10887
182: ok 10888
182: ok 10889
182: ok 10890
182: ok 10891
182: ok 10892
182: ok 10893
182: ok 10894
182: ok 10895
182: ok 10896
182: ok 10897
182: ok 10898
182: ok 10899
182: ok 10900
182: ok 10901
182: ok 10902
182: ok 10903
182: ok 10904
182: ok 10905
182: ok 10906
182: ok 10907
182: ok 10908
182: ok 10909
182: ok 10910
182: ok 10911
182: ok 10912
182: ok 10913
182: ok 10914
182: ok 10915
182: ok 10916
182: ok 10917
182: ok 10918
182: ok 10919
182: ok 10920
182: ok 10921
182: ok 10922
182: ok 10923
182: ok 10924
182: ok 10925
182: ok 10926
182: ok 10927
182: ok 10928
182: ok 10929
182: ok 10930
182: ok 10931
182: ok 10932
182: ok 10933
182: ok 10934
182: ok 10935
182: ok 10936
182: ok 10937
182: ok 10938
182: ok 10939
182: ok 10940
182: ok 10941
182: ok 10942
182: ok 10943
182: ok 10944
182: ok 10945
182: ok 10946
182: ok 10947
182: ok 10948
182: ok 10949
182: ok 10950
182: ok 10951
182: ok 10952
182: ok 10953
182: ok 10954
182: ok 10955
182: ok 10956
182: ok 10957
182: ok 10958
182: ok 10959
182: ok 10960
182: ok 10961
182: ok 10962
182: ok 10963
182: ok 10964
182: ok 10965
182: ok 10966
182: ok 10967
182: ok 10968
182: ok 10969
182: ok 10970
182: ok 10971
182: ok 10972
182: ok 10973
182: ok 10974
182: ok 10975
182: ok 10976
182: ok 10977
182: ok 10978
182: ok 10979
182: ok 10980
182: ok 10981
182: ok 10982
182: ok 10983
182: ok 10984
182: ok 10985
182: ok 10986
182: ok 10987
182: ok 10988
182: ok 10989
182: ok 10990
182: ok 10991
182: ok 10992
182: ok 10993
182: ok 10994
182: ok 10995
182: ok 10996
182: ok 10997
182: ok 10998
182: ok 10999
182: ok 11000
182: ok 11001
182: ok 11002
182: ok 11003
182: ok 11004
182: ok 11005
182: ok 11006
182: ok 11007
182: ok 11008
182: ok 11009
182: ok 11010
182: ok 11011
182: ok 11012
182: ok 11013
182: ok 11014
182: ok 11015
182: ok 11016
182: ok 11017
182: ok 11018
182: ok 11019
182: ok 11020
182: ok 11021
182: ok 11022
182: ok 11023
182: ok 11024
182: ok 11025
182: ok 11026
182: ok 11027
182: ok 11028
182: ok 11029
182: ok 11030
182: ok 11031
182: ok 11032
182: ok 11033
182: ok 11034
182: ok 11035
182: ok 11036
182: ok 11037
182: ok 11038
182: ok 11039
182: ok 11040
182: ok 11041
182: ok 11042
182: ok 11043
182: ok 11044
182: ok 11045
182: ok 11046
182: ok 11047
182: ok 11048
182: ok 11049
182: ok 11050
182: ok 11051
182: ok 11052
182: ok 11053
182: ok 11054
182: ok 11055
182: ok 11056
182: ok 11057
182: ok 11058
182: ok 11059
182: ok 11060
182: ok 11061
182: ok 11062
182: ok 11063
182: ok 11064
182: ok 11065
182: ok 11066
182: ok 11067
182: ok 11068
182: ok 11069
182: ok 11070
182: ok 11071
182: ok 11072
182: ok 11073
182: ok 11074
182: ok 11075
182: ok 11076
182: ok 11077
182: ok 11078
182: ok 11079
182: ok 11080
182: ok 11081
182: ok 11082
182: ok 11083
182: ok 11084
182: ok 11085
182: ok 11086
182: ok 11087
182: ok 11088
182: ok 11089
182: ok 11090
182: ok 11091
182: ok 11092
182: ok 11093
182: ok 11094
182: ok 11095
182: ok 11096
182: ok 11097
182: ok 11098
182: ok 11099
182: ok 11100
182: ok 11101
182: ok 11102
182: ok 11103
182: ok 11104
182: ok 11105
182: ok 11106
182: ok 11107
182: ok 11108
182: ok 11109
182: ok 11110
182: ok 11111
182: ok 11112
182: ok 11113
182: ok 11114
182: ok 11115
182: ok 11116
182: ok 11117
182: ok 11118
182: ok 11119
182: ok 11120
182: ok 11121
182: ok 11122
182: ok 11123
182: ok 11124
182: ok 11125
182: ok 11126
182: ok 11127
182: ok 11128
182: ok 11129
182: ok 11130
182: ok 11131
182: ok 11132
182: ok 11133
182: ok 11134
182: ok 11135
182: ok 11136
182: ok 11137
182: ok 11138
182: ok 11139
182: ok 11140
182: ok 11141
182: ok 11142
182: ok 11143
182: ok 11144
182: ok 11145
182: ok 11146
182: ok 11147
182: ok 11148
182: ok 11149
182: ok 11150
182: ok 11151
182: ok 11152
182: ok 11153
182: ok 11154
182: ok 11155
182: ok 11156
182: ok 11157
182: ok 11158
182: ok 11159
182: ok 11160
182: ok 11161
182: ok 11162
182: ok 11163
182: ok 11164
182: ok 11165
182: ok 11166
182: ok 11167
182: ok 11168
182: ok 11169
182: ok 11170
182: ok 11171
182: ok 11172
182: ok 11173
182: ok 11174
182: ok 11175
182: ok 11176
182: ok 11177
182: ok 11178
182: ok 11179
182: ok 11180
182: ok 11181
182: ok 11182
182: ok 11183
182: ok 11184
182: ok 11185
182: ok 11186
182: ok 11187
182: ok 11188
182: ok 11189
182: ok 11190
182: ok 11191
182: ok 11192
182: ok 11193
182: ok 11194
182: ok 11195
182: ok 11196
182: ok 11197
182: ok 11198
182: ok 11199
182: ok 11200
182: ok 11201
182: ok 11202
182: ok 11203
182: ok 11204
182: ok 11205
182: ok 11206
182: ok 11207
182: ok 11208
182: ok 11209
182: ok 11210
182: ok 11211
182: ok 11212
182: ok 11213
182: ok 11214
182: ok 11215
182: ok 11216
182: ok 11217
182: ok 11218
182: ok 11219
182: ok 11220
182: ok 11221
182: ok 11222
182: ok 11223
182: ok 11224
182: ok 11225
182: ok 11226
182: ok 11227
182: ok 11228
182: ok 11229
182: ok 11230
182: ok 11231
182: ok 11232
182: ok 11233
182: ok 11234
182: ok 11235
182: ok 11236
182: ok 11237
182: ok 11238
182: ok 11239
182: ok 11240
182: ok 11241
182: ok 11242
182: ok 11243
182: ok 11244
182: ok 11245
182: ok 11246
182: ok 11247
182: ok 11248
182: ok 11249
182: ok 11250
182: ok 11251
182: ok 11252
182: ok 11253
182: ok 11254
182: ok 11255
182: ok 11256
182: ok 11257
182: ok 11258
182: ok 11259
182: ok 11260
182: ok 11261
182: ok 11262
182: ok 11263
182: ok 11264
182: ok 11265
182: ok 11266
182: ok 11267
182: ok 11268
182: ok 11269
182: ok 11270
182: ok 11271
182: ok 11272
182: ok 11273
182: ok 11274
182: ok 11275
182: ok 11276
182: ok 11277
182: ok 11278
182: ok 11279
182: ok 11280
182: ok 11281
182: ok 11282
182: ok 11283
182: ok 11284
182: ok 11285
182: ok 11286
182: ok 11287
182: ok 11288
182: ok 11289
182: ok 11290
182: ok 11291
182: ok 11292
182: ok 11293
182: ok 11294
182: ok 11295
182: ok 11296
182: ok 11297
182: ok 11298
182: ok 11299
182: ok 11300
182: ok 11301
182: ok 11302
182: ok 11303
182: ok 11304
182: ok 11305
182: ok 11306
182: ok 11307
182: ok 11308
182: ok 11309
182: ok 11310
182: ok 11311
182: ok 11312
182: ok 11313
182: ok 11314
182: ok 11315
182: ok 11316
182: ok 11317
182: ok 11318
182: ok 11319
182: ok 11320
182: ok 11321
182: ok 11322
182: ok 11323
182: ok 11324
182: ok 11325
182: ok 11326
182: ok 11327
182: ok 11328
182: ok 11329
182: ok 11330
182: ok 11331
182: ok 11332
182: ok 11333
182: ok 11334
182: ok 11335
182: ok 11336
182: ok 11337
182: ok 11338
182: ok 11339
182: ok 11340
182: ok 11341
182: ok 11342
182: ok 11343
182: ok 11344
182: ok 11345
182: ok 11346
182: ok 11347
182: ok 11348
182: ok 11349
182: ok 11350
182: ok 11351
182: ok 11352
182: ok 11353
182: ok 11354
182: ok 11355
182: ok 11356
182: ok 11357
182: ok 11358
182: ok 11359
182: ok 11360
182: ok 11361
182: ok 11362
182: ok 11363
182: ok 11364
182: ok 11365
182: ok 11366
182: ok 11367
182: ok 11368
182: ok 11369
182: ok 11370
182: ok 11371
182: ok 11372
182: ok 11373
182: ok 11374
182: ok 11375
182: ok 11376
182: ok 11377
182: ok 11378
182: ok 11379
182: ok 11380
182: ok 11381
182: ok 11382
182: ok 11383
182: ok 11384
182: ok 11385
182: ok 11386
182: ok 11387
182: ok 11388
182: ok 11389
182: ok 11390
182: ok 11391
182: ok 11392
182: ok 11393
182: ok 11394
182: ok 11395
182: ok 11396
182: ok 11397
182: ok 11398
182: ok 11399
182: ok 11400
182: ok 11401
182: ok 11402
182: ok 11403
182: ok 11404
182: ok 11405
182: ok 11406
182: ok 11407
182: ok 11408
182: ok 11409
182: ok 11410
182: ok 11411
182: ok 11412
182: ok 11413
182: ok 11414
182: ok 11415
182: ok 11416
182: ok 11417
182: ok 11418
182: ok 11419
182: ok 11420
182: ok 11421
182: ok 11422
182: ok 11423
182: ok 11424
182: ok 11425
182: ok 11426
182: ok 11427
182: ok 11428
182: ok 11429
182: ok 11430
182: ok 11431
182: ok 11432
182: ok 11433
182: ok 11434
182: ok 11435
182: ok 11436
182: ok 11437
182: ok 11438
182: ok 11439
182: ok 11440
182: ok 11441
182: ok 11442
182: ok 11443
182: ok 11444
182: ok 11445
182: ok 11446
182: ok 11447
182: ok 11448
182: ok 11449
182: ok 11450
182: ok 11451
182: ok 11452
182: ok 11453
182: ok 11454
182: ok 11455
182: ok 11456
182: ok 11457
182: ok 11458
182: ok 11459
182: ok 11460
182: ok 11461
182: ok 11462
182: ok 11463
182: ok 11464
182: ok 11465
182: ok 11466
182: ok 11467
182: ok 11468
182: ok 11469
182: ok 11470
182: ok 11471
182: ok 11472
182: ok 11473
182: ok 11474
182: ok 11475
182: ok 11476
182: ok 11477
182: ok 11478
182: ok 11479
182: ok 11480
182: ok 11481
182: ok 11482
182: ok 11483
182: ok 11484
182: ok 11485
182: ok 11486
182: ok 11487
182: ok 11488
182: ok 11489
182: ok 11490
182: ok 11491
182: ok 11492
182: ok 11493
182: ok 11494
182: ok 11495
182: ok 11496
182: ok 11497
182: ok 11498
182: ok 11499
182: ok 11500
182: ok 11501
182: ok 11502
182: ok 11503
182: ok 11504
182: ok 11505
182: ok 11506
182: ok 11507
182: ok 11508
182: ok 11509
182: ok 11510
182: ok 11511
182: ok 11512
182: ok 11513
182: ok 11514
182: ok 11515
182: ok 11516
182: ok 11517
182: ok 11518
182: ok 11519
182: ok 11520
182: ok 11521
182: ok 11522
182: ok 11523
182: ok 11524
182: ok 11525
182: ok 11526
182: ok 11527
182: ok 11528
182: ok 11529
182: ok 11530
182: ok 11531
182: ok 11532
182: ok 11533
182: ok 11534
182: ok 11535
182: ok 11536
182: ok 11537
182: ok 11538
182: ok 11539
182: ok 11540
182: ok 11541
182: ok 11542
182: ok 11543
182: ok 11544
182: ok 11545
182: ok 11546
182: ok 11547
182: ok 11548
182: ok 11549
182: ok 11550
182: ok 11551
182: ok 11552
182: ok 11553
182: ok 11554
182: ok 11555
182: ok 11556
182: ok 11557
182: ok 11558
182: ok 11559
182: ok 11560
182: ok 11561
182: ok 11562
182: ok 11563
182: ok 11564
182: ok 11565
182: ok 11566
182: ok 11567
182: ok 11568
182: ok 11569
182: ok 11570
182: ok 11571
182: ok 11572
182: ok 11573
182: ok 11574
182: ok 11575
182: ok 11576
182: ok 11577
182: ok 11578
182: ok 11579
182: ok 11580
182: ok 11581
182: ok 11582
182: ok 11583
182: ok 11584
182: ok 11585
182: ok 11586
182: ok 11587
182: ok 11588
182: ok 11589
182: ok 11590
182: ok 11591
182: ok 11592
182: ok 11593
182: ok 11594
182: ok 11595
182: ok 11596
182: ok 11597
182: ok 11598
182: ok 11599
182: ok 11600
182: ok 11601
182: ok 11602
182: ok 11603
182: ok 11604
182: ok 11605
182: ok 11606
182: ok 11607
182: ok 11608
182: ok 11609
182: ok 11610
182: ok 11611
182: ok 11612
182: ok 11613
182: ok 11614
182: ok 11615
182: ok 11616
182: ok 11617
182: ok 11618
182: ok 11619
182: ok 11620
182: ok 11621
182: ok 11622
182: ok 11623
182: ok 11624
182: ok 11625
182: ok 11626
182: ok 11627
182: ok 11628
182: ok 11629
182: ok 11630
182: ok 11631
182: ok 11632
182: ok 11633
182: ok 11634
182: ok 11635
182: ok 11636
182: ok 11637
182: ok 11638
182: ok 11639
182: ok 11640
182: ok 11641
182: ok 11642
182: ok 11643
182: ok 11644
182: ok 11645
182: ok 11646
182: ok 11647
182: ok 11648
182: ok 11649
182: ok 11650
182: ok 11651
182: ok 11652
182: ok 11653
182: ok 11654
182: ok 11655
182: ok 11656
182: ok 11657
182: ok 11658
182: ok 11659
182: ok 11660
182: ok 11661
182: ok 11662
182: ok 11663
182: ok 11664
182: ok 11665
182: ok 11666
182: ok 11667
182: ok 11668
182: ok 11669
182: ok 11670
182: ok 11671
182: ok 11672
182: ok 11673
182: ok 11674
182: ok 11675
182: ok 11676
182: ok 11677
182: ok 11678
182: ok 11679
182: ok 11680
182: ok 11681
182: ok 11682
182: ok 11683
182: ok 11684
182: ok 11685
182: ok 11686
182: ok 11687
182: ok 11688
182: ok 11689
182: ok 11690
182: ok 11691
182: ok 11692
182: ok 11693
182: ok 11694
182: ok 11695
182: ok 11696
182: ok 11697
182: ok 11698
182: ok 11699
182: ok 11700
182: ok 11701
182: ok 11702
182: ok 11703
182: ok 11704
182: ok 11705
182: ok 11706
182: ok 11707
182: ok 11708
182: ok 11709
182: ok 11710
182: ok 11711
182: ok 11712
182: ok 11713
182: ok 11714
182: ok 11715
182: ok 11716
182: ok 11717
182: ok 11718
182: ok 11719
182: ok 11720
182: ok 11721
182: ok 11722
182: ok 11723
182: ok 11724
182: ok 11725
182: ok 11726
182: ok 11727
182: ok 11728
182: ok 11729
182: ok 11730
182: ok 11731
182: ok 11732
182: ok 11733
182: ok 11734
182: ok 11735
182: ok 11736
182: ok 11737
182: ok 11738
182: ok 11739
182: ok 11740
182: ok 11741
182: ok 11742
182: ok 11743
182: ok 11744
182: ok 11745
182: ok 11746
182: ok 11747
182: ok 11748
182: ok 11749
182: ok 11750
182: ok 11751
182: ok 11752
182: ok 11753
182: ok 11754
182: ok 11755
182: ok 11756
182: ok 11757
182: ok 11758
182: ok 11759
182: ok 11760
182: ok 11761
182: ok 11762
182: ok 11763
182: ok 11764
182: ok 11765
182: ok 11766
182: ok 11767
182: ok 11768
182: ok 11769
182: ok 11770
182: ok 11771
182: ok 11772
182: ok 11773
182: ok 11774
182: ok 11775
182: ok 11776
182: ok 11777
182: ok 11778
182: ok 11779
182: ok 11780
182: ok 11781
182: ok 11782
182: ok 11783
182: ok 11784
182: ok 11785
182: ok 11786
182: ok 11787
182: ok 11788
182: ok 11789
182: ok 11790
182: ok 11791
182: ok 11792
182: ok 11793
182: ok 11794
182: ok 11795
182: ok 11796
182: ok 11797
182: ok 11798
182: ok 11799
182: ok 11800
182: ok 11801
182: ok 11802
182: ok 11803
182: ok 11804
182: ok 11805
182: ok 11806
182: ok 11807
182: ok 11808
182: ok 11809
182: ok 11810
182: ok 11811
182: ok 11812
182: ok 11813
182: ok 11814
182: ok 11815
182: ok 11816
182: ok 11817
182: ok 11818
182: ok 11819
182: ok 11820
182: ok 11821
182: ok 11822
182: ok 11823
182: ok 11824
182: ok 11825
182: ok 11826
182: ok 11827
182: ok 11828
182: ok 11829
182: ok 11830
182: ok 11831
182: ok 11832
182: ok 11833
182: ok 11834
182: ok 11835
182: ok 11836
182: ok 11837
182: ok 11838
182: ok 11839
182: ok 11840
182: ok 11841
182: ok 11842
182: ok 11843
182: ok 11844
182: ok 11845
182: ok 11846
182: ok 11847
182: ok 11848
182: ok 11849
182: ok 11850
182: ok 11851
182: ok 11852
182: ok 11853
182: ok 11854
182: ok 11855
182: ok 11856
182: ok 11857
182: ok 11858
182: ok 11859
182: ok 11860
182: ok 11861
182: ok 11862
182: ok 11863
182: ok 11864
182: ok 11865
182: ok 11866
182: ok 11867
182: ok 11868
182: ok 11869
182: ok 11870
182: ok 11871
182: ok 11872
182: ok 11873
182: ok 11874
182: ok 11875
182: ok 11876
182: ok 11877
182: ok 11878
182: ok 11879
182: ok 11880
182: ok 11881
182: ok 11882
182: ok 11883
182: ok 11884
182: ok 11885
182: ok 11886
182: ok 11887
182: ok 11888
182: ok 11889
182: ok 11890
182: ok 11891
182: ok 11892
182: ok 11893
182: ok 11894
182: ok 11895
182: ok 11896
182: ok 11897
182: ok 11898
182: ok 11899
182: ok 11900
182: ok 11901
182: ok 11902
182: ok 11903
182: ok 11904
182: ok 11905
182: ok 11906
182: ok 11907
182: ok 11908
182: ok 11909
182: ok 11910
182: ok 11911
182: ok 11912
182: ok 11913
182: ok 11914
182: ok 11915
182: ok 11916
182: ok 11917
182: ok 11918
182: ok 11919
182: ok 11920
182: ok 11921
182: ok 11922
182: ok 11923
182: ok 11924
182: ok 11925
182: ok 11926
182: ok 11927
182: ok 11928
182: ok 11929
182: ok 11930
182: ok 11931
182: ok 11932
182: ok 11933
182: ok 11934
182: ok 11935
182: ok 11936
182: ok 11937
182: ok 11938
182: ok 11939
182: ok 11940
182: ok 11941
182: ok 11942
182: ok 11943
182: ok 11944
182: ok 11945
182: ok 11946
182: ok 11947
182: ok 11948
182: ok 11949
182: ok 11950
182: ok 11951
182: ok 11952
182: ok 11953
182: ok 11954
182: ok 11955
182: ok 11956
182: ok 11957
182: ok 11958
182: ok 11959
182: ok 11960
182: ok 11961
182: ok 11962
182: ok 11963
182: ok 11964
182: ok 11965
182: ok 11966
182: ok 11967
182: ok 11968
182: ok 11969
182: ok 11970
182: ok 11971
182: ok 11972
182: ok 11973
182: ok 11974
182: ok 11975
182: ok 11976
182: ok 11977
182: ok 11978
182: ok 11979
182: ok 11980
182: ok 11981
182: ok 11982
182: ok 11983
182: ok 11984
182: ok 11985
182: ok 11986
182: ok 11987
182: ok 11988
182: ok 11989
182: ok 11990
182: ok 11991
182: ok 11992
182: ok 11993
182: ok 11994
182: ok 11995
182: ok 11996
182: ok 11997
182: ok 11998
182: ok 11999
182: ok 12000
182: ok 12001
182: ok 12002
182: ok 12003
182: ok 12004
182: ok 12005
182: ok 12006
182: ok 12007
182: ok 12008
182: ok 12009
182: ok 12010
182: ok 12011
182: ok 12012
182: ok 12013
182: ok 12014
182: ok 12015
182: ok 12016
182: ok 12017
182: ok 12018
182: ok 12019
182: ok 12020
182: ok 12021
182: ok 12022
182: ok 12023
182: ok 12024
182: ok 12025
182: ok 12026
182: ok 12027
182: ok 12028
182: ok 12029
182: ok 12030
182: ok 12031
182: ok 12032
182: ok 12033
182: ok 12034
182: ok 12035
182: ok 12036
182: ok 12037
182: ok 12038
182: ok 12039
182: ok 12040
182: ok 12041
182: ok 12042
182: ok 12043
182: ok 12044
182: ok 12045
182: ok 12046
182: ok 12047
182: ok 12048
182: ok 12049
182: ok 12050
182: ok 12051
182: ok 12052
182: ok 12053
182: ok 12054
182: ok 12055
182: ok 12056
182: ok 12057
182: ok 12058
182: ok 12059
182: ok 12060
182: ok 12061
182: ok 12062
182: ok 12063
182: ok 12064
182: ok 12065
182: ok 12066
182: ok 12067
182: ok 12068
182: ok 12069
182: ok 12070
182: ok 12071
182: ok 12072
182: ok 12073
182: ok 12074
182: ok 12075
182: ok 12076
182: ok 12077
182: ok 12078
182: ok 12079
182: ok 12080
182: ok 12081
182: ok 12082
182: ok 12083
182: ok 12084
182: ok 12085
182: ok 12086
182: ok 12087
182: ok 12088
182: ok 12089
182: ok 12090
182: ok 12091
182: ok 12092
182: ok 12093
182: ok 12094
182: ok 12095
182: ok 12096
182: ok 12097
182: ok 12098
182: ok 12099
182: ok 12100
182: ok 12101
182: ok 12102
182: ok 12103
182: ok 12104
182: ok 12105
182: ok 12106
182: ok 12107
182: ok 12108
182: ok 12109
182: ok 12110
182: ok 12111
182: ok 12112
182: ok 12113
182: ok 12114
182: ok 12115
182: ok 12116
182: ok 12117
182: ok 12118
182: ok 12119
182: ok 12120
182: ok 12121
182: ok 12122
182: ok 12123
182: ok 12124
182: ok 12125
182: ok 12126
182: ok 12127
182: ok 12128
182: ok 12129
182: ok 12130
182: ok 12131
182: ok 12132
182: ok 12133
182: ok 12134
182: ok 12135
182: ok 12136
182: ok 12137
182: ok 12138
182: ok 12139
182: ok 12140
182: ok 12141
182: ok 12142
182: ok 12143
182: ok 12144
182: ok 12145
182: ok 12146
182: ok 12147
182: ok 12148
182: ok 12149
182: ok 12150
182: ok 12151
182: ok 12152
182: ok 12153
182: ok 12154
182: ok 12155
182: ok 12156
182: ok 12157
182: ok 12158
182: ok 12159
182: ok 12160
182: ok 12161
182: ok 12162
182: ok 12163
182: ok 12164
182: ok 12165
182: ok 12166
182: ok 12167
182: ok 12168
182: ok 12169
182: ok 12170
182: ok 12171
182: ok 12172
182: ok 12173
182: ok 12174
182: ok 12175
182: ok 12176
182: ok 12177
182: ok 12178
182: ok 12179
182: ok 12180
182: ok 12181
182: ok 12182
182: ok 12183
182: ok 12184
182: ok 12185
182: ok 12186
182: ok 12187
182: ok 12188
182: ok 12189
182: ok 12190
182: ok 12191
182: ok 12192
182: ok 12193
182: ok 12194
182: ok 12195
182: ok 12196
182: ok 12197
182: ok 12198
182: ok 12199
182: ok 12200
182: ok 12201
182: ok 12202
182: ok 12203
182: ok 12204
182: ok 12205
182: ok 12206
182: ok 12207
182: ok 12208
182: ok 12209
182: ok 12210
182: ok 12211
182: ok 12212
182: ok 12213
182: ok 12214
182: ok 12215
182: ok 12216
182: ok 12217
182: ok 12218
182: ok 12219
182: ok 12220
182: ok 12221
182: ok 12222
182: ok 12223
182: ok 12224
182: ok 12225
182: ok 12226
182: ok 12227
182: ok 12228
182: ok 12229
182: ok 12230
182: ok 12231
182: ok 12232
182: ok 12233
182: ok 12234
182: ok 12235
182: ok 12236
182: ok 12237
182: ok 12238
182: ok 12239
182: ok 12240
182: ok 12241
182: ok 12242
182: ok 12243
182: ok 12244
182: ok 12245
182: ok 12246
182: ok 12247
182: ok 12248
182: ok 12249
182: ok 12250
182: ok 12251
182: ok 12252
182: ok 12253
182: ok 12254
182: ok 12255
182: ok 12256
182: ok 12257
182: ok 12258
182: ok 12259
182: ok 12260
182: ok 12261
182: ok 12262
182: ok 12263
182: ok 12264
182: ok 12265
182: ok 12266
182: ok 12267
182: ok 12268
182: ok 12269
182: ok 12270
182: ok 12271
182: ok 12272
182: ok 12273
182: ok 12274
182: ok 12275
182: ok 12276
182: ok 12277
182: ok 12278
182: ok 12279
182: ok 12280
182: ok 12281
182: ok 12282
182: ok 12283
182: ok 12284
182: ok 12285
182: ok 12286
182: ok 12287
182: ok 12288
182: ok 12289
182: ok 12290
182: ok 12291
182: ok 12292
182: ok 12293
182: ok 12294
182: ok 12295
182: ok 12296
182: ok 12297
182: ok 12298
182: ok 12299
182: ok 12300
182: ok 12301
182: ok 12302
182: ok 12303
182: ok 12304
182: ok 12305
182: ok 12306
182: ok 12307
182: ok 12308
182: ok 12309
182: ok 12310
182: ok 12311
182: ok 12312
182: ok 12313
182: ok 12314
182: ok 12315
182: ok 12316
182: ok 12317
182: ok 12318
182: ok 12319
182: ok 12320
182: ok 12321
182: ok 12322
182: ok 12323
182: ok 12324
182: ok 12325
182: ok 12326
182: ok 12327
182: ok 12328
182: ok 12329
182: ok 12330
182: ok 12331
182: ok 12332
182: ok 12333
182: ok 12334
182: ok 12335
182: ok 12336
182: ok 12337
182: ok 12338
182: ok 12339
182: ok 12340
182: ok 12341
182: ok 12342
182: ok 12343
182: ok 12344
182: ok 12345
182: ok 12346
182: ok 12347
182: ok 12348
182: ok 12349
182: ok 12350
182: ok 12351
182: ok 12352
182: ok 12353
182: ok 12354
182: ok 12355
182: ok 12356
182: ok 12357
182: ok 12358
182: ok 12359
182: ok 12360
182: ok 12361
182: ok 12362
182: ok 12363
182: ok 12364
182: ok 12365
182: ok 12366
182: ok 12367
182: ok 12368
182: ok 12369
182: ok 12370
182: ok 12371
182: ok 12372
182: ok 12373
182: ok 12374
182: ok 12375
182: ok 12376
182: ok 12377
182: ok 12378
182: ok 12379
182: ok 12380
182: ok 12381
182: ok 12382
182: ok 12383
182: ok 12384
182: ok 12385
182: ok 12386
182: ok 12387
182: ok 12388
182: ok 12389
182: ok 12390
182: ok 12391
182: ok 12392
182: ok 12393
182: ok 12394
182: ok 12395
182: ok 12396
182: ok 12397
182: ok 12398
182: ok 12399
182: ok 12400
182: ok 12401
182: ok 12402
182: ok 12403
182: ok 12404
182: ok 12405
182: ok 12406
182: ok 12407
182: ok 12408
182: ok 12409
182: ok 12410
182: ok 12411
182: ok 12412
182: ok 12413
182: ok 12414
182: ok 12415
182: ok 12416
182: ok 12417
182: ok 12418
182: ok 12419
182: ok 12420
182: ok 12421
182: ok 12422
182: ok 12423
182: ok 12424
182: ok 12425
182: ok 12426
182: ok 12427
182: ok 12428
182: ok 12429
182: ok 12430
182: ok 12431
182: ok 12432
182: ok 12433
182: ok 12434
182: ok 12435
182: ok 12436
182: ok 12437
182: ok 12438
182: ok 12439
182: ok 12440
182: ok 12441
182: ok 12442
182: ok 12443
182: ok 12444
182: ok 12445
182: ok 12446
182: ok 12447
182: ok 12448
182: ok 12449
182: ok 12450
182: ok 12451
182: ok 12452
182: ok 12453
182: ok 12454
182: ok 12455
182: ok 12456
182: ok 12457
182: ok 12458
182: ok 12459
182: ok 12460
182: ok 12461
182: ok 12462
182: ok 12463
182: ok 12464
182: ok 12465
182: ok 12466
182: ok 12467
182: ok 12468
182: ok 12469
182: ok 12470
182: ok 12471
182: ok 12472
182: ok 12473
182: ok 12474
182: ok 12475
182: ok 12476
182: ok 12477
182: ok 12478
182: ok 12479
182: ok 12480
182: ok 12481
182: ok 12482
182: ok 12483
182: ok 12484
182: ok 12485
182: ok 12486
182: ok 12487
182: ok 12488
182: ok 12489
182: ok 12490
182: ok 12491
182: ok 12492
182: ok 12493
182: ok 12494
182: ok 12495
182: ok 12496
182: ok 12497
182: ok 12498
182: ok 12499
182: ok 12500
182: ok 12501
182: ok 12502
182: ok 12503
182: ok 12504
182: ok 12505
182: ok 12506
182: ok 12507
182: ok 12508
182: ok 12509
182: ok 12510
182: ok 12511
182: ok 12512
182: ok 12513
182: ok 12514
182: ok 12515
182: ok 12516
182: ok 12517
182: ok 12518
182: ok 12519
182: ok 12520
182: ok 12521
182: ok 12522
182: ok 12523
182: ok 12524
182: ok 12525
182: ok 12526
182: ok 12527
182: ok 12528
182: ok 12529
182: ok 12530
182: ok 12531
182: ok 12532
182: ok 12533
182: ok 12534
182: ok 12535
182: ok 12536
182: ok 12537
182: ok 12538
182: ok 12539
182: ok 12540
182: ok 12541
182: ok 12542
182: ok 12543
182: ok 12544
182: ok 12545
182: ok 12546
182: ok 12547
182: ok 12548
182: ok 12549
182: ok 12550
182: ok 12551
182: ok 12552
182: ok 12553
182: ok 12554
182: ok 12555
182: ok 12556
182: ok 12557
182: ok 12558
182: ok 12559
182: ok 12560
182: ok 12561
182: ok 12562
182: ok 12563
182: ok 12564
182: ok 12565
182: ok 12566
182: ok 12567
182: ok 12568
182: ok 12569
182: ok 12570
182: ok 12571
182: ok 12572
182: ok 12573
182: ok 12574
182: ok 12575
182: ok 12576
182: ok 12577
182: ok 12578
182: ok 12579
182: ok 12580
182: ok 12581
182: ok 12582
182: ok 12583
182: ok 12584
182: ok 12585
182: ok 12586
182: ok 12587
182: ok 12588
182: ok 12589
182: ok 12590
182: ok 12591
182: ok 12592
182: ok 12593
182: ok 12594
182: ok 12595
182: ok 12596
182: ok 12597
182: ok 12598
182: ok 12599
182: ok 12600
182: ok 12601
182: ok 12602
182: ok 12603
182: ok 12604
182: ok 12605
182: ok 12606
182: ok 12607
182: ok 12608
182: ok 12609
182: ok 12610
182: ok 12611
182: ok 12612
182: ok 12613
182: ok 12614
182: ok 12615
182: ok 12616
182: ok 12617
182: ok 12618
182: ok 12619
182: ok 12620
182: ok 12621
182: ok 12622
182: ok 12623
182: ok 12624
182: ok 12625
182: ok 12626
182: ok 12627
182: ok 12628
182: ok 12629
182: ok 12630
182: ok 12631
182: ok 12632
182: ok 12633
182: ok 12634
182: ok 12635
182: ok 12636
182: ok 12637
182: ok 12638
182: ok 12639
182: ok 12640
182: ok 12641
182: ok 12642
182: ok 12643
182: ok 12644
182: ok 12645
182: ok 12646
182: ok 12647
182: ok 12648
182: ok 12649
182: ok 12650
182: ok 12651
182: ok 12652
182: ok 12653
182: ok 12654
182: ok 12655
182: ok 12656
182: ok 12657
182: ok 12658
182: ok 12659
182: ok 12660
182: ok 12661
182: ok 12662
182: ok 12663
182: ok 12664
182: ok 12665
182: ok 12666
182: ok 12667
182: ok 12668
182: ok 12669
182: ok 12670
182: ok 12671
182: ok 12672
182: ok 12673
182: ok 12674
182: ok 12675
182: ok 12676
182: ok 12677
182: ok 12678
182: ok 12679
182: ok 12680
182: ok 12681
182: ok 12682
182: ok 12683
182: ok 12684
182: ok 12685
182: ok 12686
182: ok 12687
182: ok 12688
182: ok 12689
182: ok 12690
182: ok 12691
182: ok 12692
182: ok 12693
182: ok 12694
182: ok 12695
182: ok 12696
182: ok 12697
182: ok 12698
182: ok 12699
182: ok 12700
182: ok 12701
182: ok 12702
182: ok 12703
182: ok 12704
182: ok 12705
182: ok 12706
182: ok 12707
182: ok 12708
182: ok 12709
182: ok 12710
182: ok 12711
182: ok 12712
182: ok 12713
182: ok 12714
182: ok 12715
182: ok 12716
182: ok 12717
182: ok 12718
182: ok 12719
182: ok 12720
182: ok 12721
182: ok 12722
182: ok 12723
182: ok 12724
182: ok 12725
182: ok 12726
182: ok 12727
182: ok 12728
182: ok 12729
182: ok 12730
182: ok 12731
182: ok 12732
182: ok 12733
182: ok 12734
182: ok 12735
182: ok 12736
182: ok 12737
182: ok 12738
182: ok 12739
182: ok 12740
182: ok 12741
182: ok 12742
182: ok 12743
182: ok 12744
182: ok 12745
182: ok 12746
182: ok 12747
182: ok 12748
182: ok 12749
182: ok 12750
182: ok 12751
182: ok 12752
182: ok 12753
182: ok 12754
182: ok 12755
182: ok 12756
182: ok 12757
182: ok 12758
182: ok 12759
182: ok 12760
182: ok 12761
182: ok 12762
182: ok 12763
182: ok 12764
182: ok 12765
182: ok 12766
182: ok 12767
182: ok 12768
182: ok 12769
182: ok 12770
182: ok 12771
182: ok 12772
182: ok 12773
182: ok 12774
182: ok 12775
182: ok 12776
182: ok 12777
182: ok 12778
182: ok 12779
182: ok 12780
182: ok 12781
182: ok 12782
182: ok 12783
182: ok 12784
182: ok 12785
182: ok 12786
182: ok 12787
182: ok 12788
182: ok 12789
182: ok 12790
182: ok 12791
182: ok 12792
182: ok 12793
182: ok 12794
182: ok 12795
182: ok 12796
182: ok 12797
182: ok 12798
182: ok 12799
182: ok 12800
182: ok 12801
182: ok 12802
182: ok 12803
182: ok 12804
182: ok 12805
182: ok 12806
182: ok 12807
182: ok 12808
182: ok 12809
182: ok 12810
182: ok 12811
182: ok 12812
182: ok 12813
182: ok 12814
182: ok 12815
182: ok 12816
182: ok 12817
182: ok 12818
182: ok 12819
182: ok 12820
182: ok 12821
182: ok 12822
182: ok 12823
182: ok 12824
182: ok 12825
182: ok 12826
182: ok 12827
182: ok 12828
182: ok 12829
182: ok 12830
182: ok 12831
182: ok 12832
182: ok 12833
182: ok 12834
182: ok 12835
182: ok 12836
182: ok 12837
182: ok 12838
182: ok 12839
182: ok 12840
182: ok 12841
182: ok 12842
182: ok 12843
182: ok 12844
182: ok 12845
182: ok 12846
182: ok 12847
182: ok 12848
182: ok 12849
182: ok 12850
182: ok 12851
182: ok 12852
182: ok 12853
182: ok 12854
182: ok 12855
182: ok 12856
182: ok 12857
182: ok 12858
182: ok 12859
182: ok 12860
182: ok 12861
182: ok 12862
182: ok 12863
182: ok 12864
182: ok 12865
182: ok 12866
182: ok 12867
182: ok 12868
182: ok 12869
182: ok 12870
182: ok 12871
182: ok 12872
182: ok 12873
182: ok 12874
182: ok 12875
182: ok 12876
182: ok 12877
182: ok 12878
182: ok 12879
182: ok 12880
182: ok 12881
182: ok 12882
182: ok 12883
182: ok 12884
182: ok 12885
182: ok 12886
182: ok 12887
182: ok 12888
182: ok 12889
182: ok 12890
182: ok 12891
182: ok 12892
182: ok 12893
182: ok 12894
182: ok 12895
182: ok 12896
182: ok 12897
182: ok 12898
182: ok 12899
182: ok 12900
182: ok 12901
182: ok 12902
182: ok 12903
182: ok 12904
182: ok 12905
182: ok 12906
182: ok 12907
182: ok 12908
182: ok 12909
182: ok 12910
182: ok 12911
182: ok 12912
182: ok 12913
182: ok 12914
182: ok 12915
182: ok 12916
182: ok 12917
182: ok 12918
182: ok 12919
182: ok 12920
182: ok 12921
182: ok 12922
182: ok 12923
182: ok 12924
182: ok 12925
182: ok 12926
182: ok 12927
182: ok 12928
182: ok 12929
182: ok 12930
182: ok 12931
182: ok 12932
182: ok 12933
182: ok 12934
182: ok 12935
182: ok 12936
182: ok 12937
182: ok 12938
182: ok 12939
182: ok 12940
182: ok 12941
182: ok 12942
182: ok 12943
182: ok 12944
182: ok 12945
182: ok 12946
182: ok 12947
182: ok 12948
182: ok 12949
182: ok 12950
182: ok 12951
182: ok 12952
182: ok 12953
182: ok 12954
182: ok 12955
182: ok 12956
182: ok 12957
182: ok 12958
182: ok 12959
182: ok 12960
182: ok 12961
182: ok 12962
182: ok 12963
182: ok 12964
182: ok 12965
182: ok 12966
182: ok 12967
182: ok 12968
182: ok 12969
182: ok 12970
182: ok 12971
182: ok 12972
182: ok 12973
182: ok 12974
182: ok 12975
182: ok 12976
182: ok 12977
182: ok 12978
182: ok 12979
182: ok 12980
182: ok 12981
182: ok 12982
182: ok 12983
182: ok 12984
182: ok 12985
182: ok 12986
182: ok 12987
182: ok 12988
182: ok 12989
182: ok 12990
182: ok 12991
182: ok 12992
182: ok 12993
182: ok 12994
182: ok 12995
182: ok 12996
182: ok 12997
182: ok 12998
182: ok 12999
182: ok 13000
182: ok 13001
182: ok 13002
182: ok 13003
182: ok 13004
182: ok 13005
182: ok 13006
182: ok 13007
182: ok 13008
182: ok 13009
182: ok 13010
182: ok 13011
182: ok 13012
182: ok 13013
182: ok 13014
182: ok 13015
182: ok 13016
182: ok 13017
182: ok 13018
182: ok 13019
182: ok 13020
182: ok 13021
182: ok 13022
182: ok 13023
182: ok 13024
182: ok 13025
182: ok 13026
182: ok 13027
182: ok 13028
182: ok 13029
182: ok 13030
182: ok 13031
182: ok 13032
182: ok 13033
182: ok 13034
182: ok 13035
182: ok 13036
182: ok 13037
182: ok 13038
182: ok 13039
182: ok 13040
182: ok 13041
182: ok 13042
182: ok 13043
182: ok 13044
182: ok 13045
182: ok 13046
182: ok 13047
182: ok 13048
182: ok 13049
182: ok 13050
182: ok 13051
182: ok 13052
182: ok 13053
182: ok 13054
182: ok 13055
182: ok 13056
182: ok 13057
182: ok 13058
182: ok 13059
182: ok 13060
182: ok 13061
182: ok 13062
182: ok 13063
182: ok 13064
182: ok 13065
182: ok 13066
182: ok 13067
182: ok 13068
182: ok 13069
182: ok 13070
182: ok 13071
182: ok 13072
182: ok 13073
182: ok 13074
182: ok 13075
182: ok 13076
182: ok 13077
182: ok 13078
182: ok 13079
182: ok 13080
182: ok 13081
182: ok 13082
182: ok 13083
182: ok 13084
182: ok 13085
182: ok 13086
182: ok 13087
182: ok 13088
182: ok 13089
182: ok 13090
182: ok 13091
182: ok 13092
182: ok 13093
182: ok 13094
182: ok 13095
182: ok 13096
182: ok 13097
182: ok 13098
182: ok 13099
182: ok 13100
182: ok 13101
182: ok 13102
182: ok 13103
182: ok 13104
182: ok 13105
182: ok 13106
182: ok 13107
182: ok 13108
182: ok 13109
182: ok 13110
182: ok 13111
182: ok 13112
182: ok 13113
182: ok 13114
182: ok 13115
182: ok 13116
182: ok 13117
182: ok 13118
182: ok 13119
182: ok 13120
182: ok 13121
182: ok 13122
182: ok 13123
182: ok 13124
182: ok 13125
182: ok 13126
182: ok 13127
182: ok 13128
182: ok 13129
182: ok 13130
182: ok 13131
182: ok 13132
182: ok 13133
182: ok 13134
182: ok 13135
182: ok 13136
182: ok 13137
182: ok 13138
182: ok 13139
182: ok 13140
182: ok 13141
182: ok 13142
182: ok 13143
182: ok 13144
182: ok 13145
182: ok 13146
182: ok 13147
182: ok 13148
182: ok 13149
182: ok 13150
182: ok 13151
182: ok 13152
182: ok 13153
182: ok 13154
182: ok 13155
182: ok 13156
182: ok 13157
182: ok 13158
182: ok 13159
182: ok 13160
182: ok 13161
182: ok 13162
182: ok 13163
182: ok 13164
182: ok 13165
182: ok 13166
182: ok 13167
182: ok 13168
182: ok 13169
182: ok 13170
182: ok 13171
182: ok 13172
182: ok 13173
182: ok 13174
182: ok 13175
182: ok 13176
182: ok 13177
182: ok 13178
182: ok 13179
182: ok 13180
182: ok 13181
182: ok 13182
182: ok 13183
182: ok 13184
182: ok 13185
182: ok 13186
182: ok 13187
182: ok 13188
182: ok 13189
182: ok 13190
182: ok 13191
182: ok 13192
182: ok 13193
182: ok 13194
182: ok 13195
182: ok 13196
182: ok 13197
182: ok 13198
182: ok 13199
182: ok 13200
182: ok 13201
182: ok 13202
182: ok 13203
182: ok 13204
182: ok 13205
182: ok 13206
182: ok 13207
182: ok 13208
182: ok 13209
182: ok 13210
182: ok 13211
182: ok 13212
182: ok 13213
182: ok 13214
182: ok 13215
182: ok 13216
182: ok 13217
182: ok 13218
182: ok 13219
182: ok 13220
182: ok 13221
182: ok 13222
182: ok 13223
182: ok 13224
182: ok 13225
182: ok 13226
182: ok 13227
182: ok 13228
182: ok 13229
182: ok 13230
182: ok 13231
182: ok 13232
182: ok 13233
182: ok 13234
182: ok 13235
182: ok 13236
182: ok 13237
182: ok 13238
182: ok 13239
182: ok 13240
182: ok 13241
182: ok 13242
182: ok 13243
182: ok 13244
182: ok 13245
182: ok 13246
182: ok 13247
182: ok 13248
182: ok 13249
182: ok 13250
182: ok 13251
182: ok 13252
182: ok 13253
182: ok 13254
182: ok 13255
182: ok 13256
182: ok 13257
182: ok 13258
182: ok 13259
182: ok 13260
182: ok 13261
182: ok 13262
182: ok 13263
182: ok 13264
182: ok 13265
182: ok 13266
182: ok 13267
182: ok 13268
182: ok 13269
182: ok 13270
182: ok 13271
182: ok 13272
182: ok 13273
182: ok 13274
182: ok 13275
182: ok 13276
182: ok 13277
182: ok 13278
182: ok 13279
182: ok 13280
182: ok 13281
182: ok 13282
182: ok 13283
182: ok 13284
182: ok 13285
182: ok 13286
182: ok 13287
182: ok 13288
182: ok 13289
182: ok 13290
182: ok 13291
182: ok 13292
182: ok 13293
182: ok 13294
182: ok 13295
182: ok 13296
182: ok 13297
182: ok 13298
182: ok 13299
182: ok 13300
182: ok 13301
182: ok 13302
182: ok 13303
182: ok 13304
182: ok 13305
182: ok 13306
182: ok 13307
182: ok 13308
182: ok 13309
182: ok 13310
182: ok 13311
182: ok 13312
182: ok 13313
182: ok 13314
182: ok 13315
182: ok 13316
182: ok 13317
182: ok 13318
182: ok 13319
182: ok 13320
182: ok 13321
182: ok 13322
182: ok 13323
182: ok 13324
182: ok 13325
182: ok 13326
182: ok 13327
182: ok 13328
182: ok 13329
182: ok 13330
182: ok 13331
182: ok 13332
182: ok 13333
182: ok 13334
182: ok 13335
182: ok 13336
182: ok 13337
182: ok 13338
182: ok 13339
182: ok 13340
182: ok 13341
182: ok 13342
182: ok 13343
182: ok 13344
182: ok 13345
182: ok 13346
182: ok 13347
182: ok 13348
182: ok 13349
182: ok 13350
182: ok 13351
182: ok 13352
182: ok 13353
182: ok 13354
182: ok 13355
182: ok 13356
182: ok 13357
182: ok 13358
182: ok 13359
182: ok 13360
182: ok 13361
182: ok 13362
182: ok 13363
182: ok 13364
182: ok 13365
182: ok 13366
182: ok 13367
182: ok 13368
182: ok 13369
182: ok 13370
182: ok 13371
182: ok 13372
182: ok 13373
182: ok 13374
182: ok 13375
182: ok 13376
182: ok 13377
182: ok 13378
182: ok 13379
182: ok 13380
182: ok 13381
182: ok 13382
182: ok 13383
182: ok 13384
182: ok 13385
182: ok 13386
182: ok 13387
182: ok 13388
182: ok 13389
182: ok 13390
182: ok 13391
182: ok 13392
182: ok 13393
182: ok 13394
182: ok 13395
182: ok 13396
182: ok 13397
182: ok 13398
182: ok 13399
182: ok 13400
182: ok 13401
182: ok 13402
182: ok 13403
182: ok 13404
182: ok 13405
182: ok 13406
182: ok 13407
182: ok 13408
182: ok 13409
182: ok 13410
182: ok 13411
182: ok 13412
182: ok 13413
182: ok 13414
182: ok 13415
182: ok 13416
182: ok 13417
182: ok 13418
182: ok 13419
182: ok 13420
182: ok 13421
182: ok 13422
182: ok 13423
182: ok 13424
182: ok 13425
182: ok 13426
182: ok 13427
182: ok 13428
182: ok 13429
182: ok 13430
182: ok 13431
182: ok 13432
182: ok 13433
182: ok 13434
182: ok 13435
182: ok 13436
182: ok 13437
182: ok 13438
182: ok 13439
182: ok 13440
182: ok 13441
182: ok 13442
182: ok 13443
182: ok 13444
182: ok 13445
182: ok 13446
182: ok 13447
182: ok 13448
182: ok 13449
182: ok 13450
182: ok 13451
182: ok 13452
182: ok 13453
182: ok 13454
182: ok 13455
182: ok 13456
182: ok 13457
182: ok 13458
182: ok 13459
182: ok 13460
182: ok 13461
182: ok 13462
182: ok 13463
182: ok 13464
182: ok 13465
182: ok 13466
182: ok 13467
182: ok 13468
182: ok 13469
182: ok 13470
182: ok 13471
182: ok 13472
182: ok 13473
182: ok 13474
182: ok 13475
182: ok 13476
182: ok 13477
182: ok 13478
182: ok 13479
182: ok 13480
182: ok 13481
182: ok 13482
182: ok 13483
182: ok 13484
182: ok 13485
182: ok 13486
182: ok 13487
182: ok 13488
182: ok 13489
182: ok 13490
182: ok 13491
182: ok 13492
182: ok 13493
182: ok 13494
182: ok 13495
182: ok 13496
182: ok 13497
182: ok 13498
182: ok 13499
182: ok 13500
182: ok 13501
182: ok 13502
182: ok 13503
182: ok 13504
182: ok 13505
182: ok 13506
182: ok 13507
182: ok 13508
182: ok 13509
182: ok 13510
182: ok 13511
182: ok 13512
182: ok 13513
182: ok 13514
182: ok 13515
182: ok 13516
182: ok 13517
182: ok 13518
182: ok 13519
182: ok 13520
182: ok 13521
182: ok 13522
182: ok 13523
182: ok 13524
182: ok 13525
182: ok 13526
182: ok 13527
182: ok 13528
182: ok 13529
182: ok 13530
182: ok 13531
182: ok 13532
182: ok 13533
182: ok 13534
182: ok 13535
182: ok 13536
182: ok 13537
182: ok 13538
182: ok 13539
182: ok 13540
182: ok 13541
182: ok 13542
182: ok 13543
182: ok 13544
182: ok 13545
182: ok 13546
182: ok 13547
182: ok 13548
182: ok 13549
182: ok 13550
182: ok 13551
182: ok 13552
182: ok 13553
182: ok 13554
182: ok 13555
182: ok 13556
182: ok 13557
182: ok 13558
182: ok 13559
182: ok 13560
182: ok 13561
182: ok 13562
182: ok 13563
182: ok 13564
182: ok 13565
182: ok 13566
182: ok 13567
182: ok 13568
182: ok 13569
182: ok 13570
182: ok 13571
182: ok 13572
182: ok 13573
182: ok 13574
182: ok 13575
182: ok 13576
182: ok 13577
182: ok 13578
182: ok 13579
182: ok 13580
182: ok 13581
182: ok 13582
182: ok 13583
182: ok 13584
182: ok 13585
182: ok 13586
182: ok 13587
182: ok 13588
182: ok 13589
182: ok 13590
182: ok 13591
182: ok 13592
182: ok 13593
182: ok 13594
182: ok 13595
182: ok 13596
182: ok 13597
182: ok 13598
182: ok 13599
182: ok 13600
182: ok 13601
182: ok 13602
182: ok 13603
182: ok 13604
182: ok 13605
182: ok 13606
182: ok 13607
182: ok 13608
182: ok 13609
182: ok 13610
182: ok 13611
182: ok 13612
182: ok 13613
182: ok 13614
182: ok 13615
182: ok 13616
182: ok 13617
182: ok 13618
182: ok 13619
182: ok 13620
182: ok 13621
182: ok 13622
182: ok 13623
182: ok 13624
182: ok 13625
182: ok 13626
182: ok 13627
182: ok 13628
182: ok 13629
182: ok 13630
182: ok 13631
182: ok 13632
182: ok 13633
182: ok 13634
182: ok 13635
182: ok 13636
182: ok 13637
182: ok 13638
182: ok 13639
182: ok 13640
182: ok 13641
182: ok 13642
182: ok 13643
182: ok 13644
182: ok 13645
182: ok 13646
182: ok 13647
182: ok 13648
182: ok 13649
182: ok 13650
182: ok 13651
182: ok 13652
182: ok 13653
182: ok 13654
182: ok 13655
182: ok 13656
182: ok 13657
182: ok 13658
182: ok 13659
182: ok 13660
182: ok 13661
182: ok 13662
182: ok 13663
182: ok 13664
182: ok 13665
182: ok 13666
182: ok 13667
182: ok 13668
182: ok 13669
182: ok 13670
182: ok 13671
182: ok 13672
182: ok 13673
182: ok 13674
182: ok 13675
182: ok 13676
182: ok 13677
182: ok 13678
182: ok 13679
182: ok 13680
182: ok 13681
182: ok 13682
182: ok 13683
182: ok 13684
182: ok 13685
182: ok 13686
182: ok 13687
182: ok 13688
182: ok 13689
182: ok 13690
182: ok 13691
182: ok 13692
182: ok 13693
182: ok 13694
182: ok 13695
182: ok 13696
182: ok 13697
182: ok 13698
182: ok 13699
182: ok 13700
182: ok 13701
182: ok 13702
182: ok 13703
182: ok 13704
182: ok 13705
182: ok 13706
182: ok 13707
182: ok 13708
182: ok 13709
182: ok 13710
182: ok 13711
182: ok 13712
182: ok 13713
182: ok 13714
182: ok 13715
182: ok 13716
182: ok 13717
182: ok 13718
182: ok 13719
182: ok 13720
182: ok 13721
182: ok 13722
182: ok 13723
182: ok 13724
182: ok 13725
182: ok 13726
182: ok 13727
182: ok 13728
182: ok 13729
182: ok 13730
182: ok 13731
182: ok 13732
182: ok 13733
182: ok 13734
182: ok 13735
182: ok 13736
182: ok 13737
182: ok 13738
182: ok 13739
182: ok 13740
182: ok 13741
182: ok 13742
182: ok 13743
182: ok 13744
182: ok 13745
182: ok 13746
182: ok 13747
182: ok 13748
182: ok 13749
182: ok 13750
182: ok 13751
182: ok 13752
182: ok 13753
182: ok 13754
182: ok 13755
182: ok 13756
182: ok 13757
182: ok 13758
182: ok 13759
182: ok 13760
182: ok 13761
182: ok 13762
182: ok 13763
182: ok 13764
182: ok 13765
182: ok 13766
182: ok 13767
182: ok 13768
182: ok 13769
182: ok 13770
182: ok 13771
182: ok 13772
182: ok 13773
182: ok 13774
182: ok 13775
182: ok 13776
182: ok 13777
182: ok 13778
182: ok 13779
182: ok 13780
182: ok 13781
182: ok 13782
182: ok 13783
182: ok 13784
182: ok 13785
182: ok 13786
182: ok 13787
182: ok 13788
182: ok 13789
182: ok 13790
182: ok 13791
182: ok 13792
182: ok 13793
182: ok 13794
182: ok 13795
182: ok 13796
182: ok 13797
182: ok 13798
182: ok 13799
182: ok 13800
182: ok 13801
182: ok 13802
182: ok 13803
182: ok 13804
182: ok 13805
182: ok 13806
182: ok 13807
182: ok 13808
182: ok 13809
182: ok 13810
182: ok 13811
182: ok 13812
182: ok 13813
182: ok 13814
182: ok 13815
182: ok 13816
182: ok 13817
182: ok 13818
182: ok 13819
182: ok 13820
182: ok 13821
182: ok 13822
182: ok 13823
182: ok 13824
182: ok 13825
182: ok 13826
182: ok 13827
182: ok 13828
182: ok 13829
182: ok 13830
182: ok 13831
182: ok 13832
182: ok 13833
182: ok 13834
182: ok 13835
182: ok 13836
182: ok 13837
182: ok 13838
182: ok 13839
182: ok 13840
182: ok 13841
182: ok 13842
182: ok 13843
182: ok 13844
182: ok 13845
182: ok 13846
182: ok 13847
182: ok 13848
182: ok 13849
182: ok 13850
182: ok 13851
182: ok 13852
182: ok 13853
182: ok 13854
182: ok 13855
182: ok 13856
182: ok 13857
182: ok 13858
182: ok 13859
182: ok 13860
182: ok 13861
182: ok 13862
182: ok 13863
182: ok 13864
182: ok 13865
182: ok 13866
182: ok 13867
182: ok 13868
182: ok 13869
182: ok 13870
182: ok 13871
182: ok 13872
182: ok 13873
182: ok 13874
182: ok 13875
182: ok 13876
182: ok 13877
182: ok 13878
182: ok 13879
182: ok 13880
182: ok 13881
182: ok 13882
182: ok 13883
182: ok 13884
182: ok 13885
182: ok 13886
182: ok 13887
182: ok 13888
182: ok 13889
182: ok 13890
182: ok 13891
182: ok 13892
182: ok 13893
182: ok 13894
182: ok 13895
182: ok 13896
182: ok 13897
182: ok 13898
182: ok 13899
182: ok 13900
182: ok 13901
182: ok 13902
182: ok 13903
182: ok 13904
182: ok 13905
182: ok 13906
182: ok 13907
182: ok 13908
182: ok 13909
182: ok 13910
182: ok 13911
182: ok 13912
182: ok 13913
182: ok 13914
182: ok 13915
182: ok 13916
182: ok 13917
182: ok 13918
182: ok 13919
182: ok 13920
182: ok 13921
182: ok 13922
182: ok 13923
182: ok 13924
182: ok 13925
182: ok 13926
182: ok 13927
182: ok 13928
182: ok 13929
182: ok 13930
182: ok 13931
182: ok 13932
182: ok 13933
182: ok 13934
182: ok 13935
182: ok 13936
182: ok 13937
182: ok 13938
182: ok 13939
182: ok 13940
182: ok 13941
182: ok 13942
182: ok 13943
182: ok 13944
182: ok 13945
182: ok 13946
182: ok 13947
182: ok 13948
182: ok 13949
182: ok 13950
182: ok 13951
182: ok 13952
182: ok 13953
182: ok 13954
182: ok 13955
182: ok 13956
182: ok 13957
182: ok 13958
182: ok 13959
182: ok 13960
182: ok 13961
182: ok 13962
182: ok 13963
182: ok 13964
182: ok 13965
182: ok 13966
182: ok 13967
182: ok 13968
182: ok 13969
182: ok 13970
182: ok 13971
182: ok 13972
182: ok 13973
182: ok 13974
182: ok 13975
182: ok 13976
182: ok 13977
182: ok 13978
182: ok 13979
182: ok 13980
182: ok 13981
182: ok 13982
182: ok 13983
182: ok 13984
182: ok 13985
182: ok 13986
182: ok 13987
182: ok 13988
182: ok 13989
182: ok 13990
182: ok 13991
182: ok 13992
182: ok 13993
182: ok 13994
182: ok 13995
182: ok 13996
182: ok 13997
182: ok 13998
182: ok 13999
182: ok 14000
182: ok 14001
182: ok 14002
182: ok 14003
182: ok 14004
182: ok 14005
182: ok 14006
182: ok 14007
182: ok 14008
182: ok 14009
182: ok 14010
182: ok 14011
182: ok 14012
182: ok 14013
182: ok 14014
182: ok 14015
182: ok 14016
182: ok 14017
182: ok 14018
182: ok 14019
182: ok 14020
182: ok 14021
182: ok 14022
182: ok 14023
182: ok 14024
182: ok 14025
182: ok 14026
182: ok 14027
182: ok 14028
182: ok 14029
182: ok 14030
182: ok 14031
182: ok 14032
182: ok 14033
182: ok 14034
182: ok 14035
182: ok 14036
182: ok 14037
182: ok 14038
182: ok 14039
182: ok 14040
182: ok 14041
182: ok 14042
182: ok 14043
182: ok 14044
182: ok 14045
182: ok 14046
182: ok 14047
182: ok 14048
182: ok 14049
182: ok 14050
182: ok 14051
182: ok 14052
182: ok 14053
182: ok 14054
182: ok 14055
182: ok 14056
182: ok 14057
182: ok 14058
182: ok 14059
182: ok 14060
182: ok 14061
182: ok 14062
182: ok 14063
182: ok 14064
182: ok 14065
182: ok 14066
182: ok 14067
182: ok 14068
182: ok 14069
182: ok 14070
182: ok 14071
182: ok 14072
182: ok 14073
182: ok 14074
182: ok 14075
182: ok 14076
182: ok 14077
182: ok 14078
182: ok 14079
182: ok 14080
182: ok 14081
182: ok 14082
182: ok 14083
182: ok 14084
182: ok 14085
182: ok 14086
182: ok 14087
182: ok 14088
182: ok 14089
182: ok 14090
182: ok 14091
182: ok 14092
182: ok 14093
182: ok 14094
182: ok 14095
182: ok 14096
182: ok 14097
182: ok 14098
182: ok 14099
182: ok 14100
182: ok 14101
182: ok 14102
182: ok 14103
182: ok 14104
182: ok 14105
182: ok 14106
182: ok 14107
182: ok 14108
182: ok 14109
182: ok 14110
182: ok 14111
182: ok 14112
182: ok 14113
182: ok 14114
182: ok 14115
182: ok 14116
182: ok 14117
182: ok 14118
182: ok 14119
182: ok 14120
182: ok 14121
182: ok 14122
182: ok 14123
182: ok 14124
182: ok 14125
182: ok 14126
182: ok 14127
182: ok 14128
182: ok 14129
182: ok 14130
182: ok 14131
182: ok 14132
182: ok 14133
182: ok 14134
182: ok 14135
182: ok 14136
182: ok 14137
182: ok 14138
182: ok 14139
182: ok 14140
182: ok 14141
182: ok 14142
182: ok 14143
182: ok 14144
182: ok 14145
182: ok 14146
182: ok 14147
182: ok 14148
182: ok 14149
182: ok 14150
182: ok 14151
182: ok 14152
182: ok 14153
182: ok 14154
182: ok 14155
182: ok 14156
182: ok 14157
182: ok 14158
182: ok 14159
182: ok 14160
182: ok 14161
182: ok 14162
182: ok 14163
182: ok 14164
182: ok 14165
182: ok 14166
182: ok 14167
182: ok 14168
182: ok 14169
182: ok 14170
182: ok 14171
182: ok 14172
182: ok 14173
182: ok 14174
182: ok 14175
182: ok 14176
182: ok 14177
182: ok 14178
182: ok 14179
182: ok 14180
182: ok 14181
182: ok 14182
182: ok 14183
182: ok 14184
182: ok 14185
182: ok 14186
182: ok 14187
182: ok 14188
182: ok 14189
182: ok 14190
182: ok 14191
182: ok 14192
182: ok 14193
182: ok 14194
182: ok 14195
182: ok 14196
182: ok 14197
182: ok 14198
182: ok 14199
182: ok 14200
182: ok 14201
182: ok 14202
182: ok 14203
182: ok 14204
182: ok 14205
182: ok 14206
182: ok 14207
182: ok 14208
182: ok 14209
182: ok 14210
182: ok 14211
182: ok 14212
182: ok 14213
182: ok 14214
182: ok 14215
182: ok 14216
182: ok 14217
182: ok 14218
182: ok 14219
182: ok 14220
182: ok 14221
182: ok 14222
182: ok 14223
182: ok 14224
182: ok 14225
182: ok 14226
182: ok 14227
182: ok 14228
182: ok 14229
182: ok 14230
182: ok 14231
182: ok 14232
182: ok 14233
182: ok 14234
182: ok 14235
182: ok 14236
182: ok 14237
182: ok 14238
182: ok 14239
182: ok 14240
182: ok 14241
182: ok 14242
182: ok 14243
182: ok 14244
182: ok 14245
182: ok 14246
182: ok 14247
182: ok 14248
182: ok 14249
182: ok 14250
182: ok 14251
182: ok 14252
182: ok 14253
182: ok 14254
182: ok 14255
182: ok 14256
182: ok 14257
182: ok 14258
182: ok 14259
182: ok 14260
182: ok 14261
182: ok 14262
182: ok 14263
182: ok 14264
182: ok 14265
182: ok 14266
182: ok 14267
182: ok 14268
182: ok 14269
182: ok 14270
182: ok 14271
182: ok 14272
182: ok 14273
182: ok 14274
182: ok 14275
182: ok 14276
182: ok 14277
182: ok 14278
182: ok 14279
182: ok 14280
182: ok 14281
182: ok 14282
182: ok 14283
182: ok 14284
182: ok 14285
182: ok 14286
182: ok 14287
182: ok 14288
182: ok 14289
182: ok 14290
182: ok 14291
182: ok 14292
182: ok 14293
182: ok 14294
182: ok 14295
182: ok 14296
182: ok 14297
182: ok 14298
182: ok 14299
182: ok 14300
182: ok 14301
182: ok 14302
182: ok 14303
182: ok 14304
182: ok 14305
182: ok 14306
182: ok 14307
182: ok 14308
182: ok 14309
182: ok 14310
182: ok 14311
182: ok 14312
182: ok 14313
182: ok 14314
182: ok 14315
182: ok 14316
182: ok 14317
182: ok 14318
182: ok 14319
182: ok 14320
182: ok 14321
182: ok 14322
182: ok 14323
182: ok 14324
182: ok 14325
182: ok 14326
182: ok 14327
182: ok 14328
182: ok 14329
182: ok 14330
182: ok 14331
182: ok 14332
182: ok 14333
182: ok 14334
182: ok 14335
182: ok 14336
182: ok 14337
182: ok 14338
182: ok 14339
182: ok 14340
182: ok 14341
182: ok 14342
182: ok 14343
182: ok 14344
182: ok 14345
182: ok 14346
182: ok 14347
182: ok 14348
182: ok 14349
182: ok 14350
182: ok 14351
182: ok 14352
182: ok 14353
182: ok 14354
182: ok 14355
182: ok 14356
182: ok 14357
182: ok 14358
182: ok 14359
182: ok 14360
182: ok 14361
182: ok 14362
182: ok 14363
182: ok 14364
182: ok 14365
182: ok 14366
182: ok 14367
182: ok 14368
182: ok 14369
182: ok 14370
182: ok 14371
182: ok 14372
182: ok 14373
182: ok 14374
182: ok 14375
182: ok 14376
182: ok 14377
182: ok 14378
182: ok 14379
182: ok 14380
182: ok 14381
182: ok 14382
182: ok 14383
182: ok 14384
182: ok 14385
182: ok 14386
182: ok 14387
182: ok 14388
182: ok 14389
182: ok 14390
182: ok 14391
182: ok 14392
182: ok 14393
182: ok 14394
182: ok 14395
182: ok 14396
182: ok 14397
182: ok 14398
182: ok 14399
182: ok 14400
182: ok 14401
182: ok 14402
182: ok 14403
182: ok 14404
182: ok 14405
182: ok 14406
182: ok 14407
182: ok 14408
182: ok 14409
182: ok 14410
182: ok 14411
182: ok 14412
182: ok 14413
182: ok 14414
182: ok 14415
182: ok 14416
182: ok 14417
182: ok 14418
182: ok 14419
182: ok 14420
182: ok 14421
182: ok 14422
182: ok 14423
182: ok 14424
182: ok 14425
182: ok 14426
182: ok 14427
182: ok 14428
182: ok 14429
182: ok 14430
182: ok 14431
182: ok 14432
182: ok 14433
182: ok 14434
182: ok 14435
182: ok 14436
182: ok 14437
182: ok 14438
182: ok 14439
182: ok 14440
182: ok 14441
182: ok 14442
182: ok 14443
182: ok 14444
182: ok 14445
182: ok 14446
182: ok 14447
182: ok 14448
182: ok 14449
182: ok 14450
182: ok 14451
182: ok 14452
182: ok 14453
182: ok 14454
182: ok 14455
182: ok 14456
182: ok 14457
182: ok 14458
182: ok 14459
182: ok 14460
182: ok 14461
182: ok 14462
182: ok 14463
182: ok 14464
182: ok 14465
182: ok 14466
182: ok 14467
182: ok 14468
182: ok 14469
182: ok 14470
182: ok 14471
182: ok 14472
182: ok 14473
182: ok 14474
182: ok 14475
182: ok 14476
182: ok 14477
182: ok 14478
182: ok 14479
182: ok 14480
182: ok 14481
182: ok 14482
182: ok 14483
182: ok 14484
182: ok 14485
182: ok 14486
182: ok 14487
182: ok 14488
182: ok 14489
182: ok 14490
182: ok 14491
182: ok 14492
182: ok 14493
182: ok 14494
182: ok 14495
182: ok 14496
182: ok 14497
182: ok 14498
182: ok 14499
182: ok 14500
182: ok 14501
182: ok 14502
182: ok 14503
182: ok 14504
182: ok 14505
182: ok 14506
182: ok 14507
182: ok 14508
182: ok 14509
182: ok 14510
182: ok 14511
182: ok 14512
182: ok 14513
182: ok 14514
182: ok 14515
182: ok 14516
182: ok 14517
182: ok 14518
182: ok 14519
182: ok 14520
182: ok 14521
182: ok 14522
182: ok 14523
182: ok 14524
182: ok 14525
182: ok 14526
182: ok 14527
182: ok 14528
182: ok 14529
182: ok 14530
182: ok 14531
182: ok 14532
182: ok 14533
182: ok 14534
182: ok 14535
182: ok 14536
182: ok 14537
182: ok 14538
182: ok 14539
182: ok 14540
182: ok 14541
182: ok 14542
182: ok 14543
182: ok 14544
182: ok 14545
182: ok 14546
182: ok 14547
182: ok 14548
182: ok 14549
182: ok 14550
182: ok 14551
182: ok 14552
182: ok 14553
182: ok 14554
182: ok 14555
182: ok 14556
182: ok 14557
182: ok 14558
182: ok 14559
182: ok 14560
182: ok 14561
182: ok 14562
182: ok 14563
182: ok 14564
182: ok 14565
182: ok 14566
182: ok 14567
182: ok 14568
182: ok 14569
182: ok 14570
182: ok 14571
182: ok 14572
182: ok 14573
182: ok 14574
182: ok 14575
182: ok 14576
182: ok 14577
182: ok 14578
182: ok 14579
182: ok 14580
182: ok 14581
182: ok 14582
182: ok 14583
182: ok 14584
182: ok 14585
182: ok 14586
182: ok 14587
182: ok 14588
182: ok 14589
182: ok 14590
182: ok 14591
182: ok 14592
182: ok 14593
182: ok 14594
182: ok 14595
182: ok 14596
182: ok 14597
182: ok 14598
182: ok 14599
182: ok 14600
182: ok 14601
182: ok 14602
182: ok 14603
182: ok 14604
182: ok 14605
182: ok 14606
182: ok 14607
182: ok 14608
182: ok 14609
182: ok 14610
182: ok 14611
182: ok 14612
182: ok 14613
182: ok 14614
182: ok 14615
182: ok 14616
182: ok 14617
182: ok 14618
182: ok 14619
182: ok 14620
182: ok 14621
182: ok 14622
182: ok 14623
182: ok 14624
182: ok 14625
182: ok 14626
182: ok 14627
182: ok 14628
182: ok 14629
182: ok 14630
182: ok 14631
182: ok 14632
182: ok 14633
182: ok 14634
182: ok 14635
182: ok 14636
182: ok 14637
182: ok 14638
182: ok 14639
182: ok 14640
182: ok 14641
182: ok 14642
182: ok 14643
182: ok 14644
182: ok 14645
182: ok 14646
182: ok 14647
182: ok 14648
182: ok 14649
182: ok 14650
182: ok 14651
182: ok 14652
182: ok 14653
182: ok 14654
182: ok 14655
182: ok 14656
182: ok 14657
182: ok 14658
182: ok 14659
182: ok 14660
182: ok 14661
182: ok 14662
182: ok 14663
182: ok 14664
182: ok 14665
182: ok 14666
182: ok 14667
182: ok 14668
182: ok 14669
182: ok 14670
182: ok 14671
182: ok 14672
182: ok 14673
182: ok 14674
182: ok 14675
182: ok 14676
182: ok 14677
182: ok 14678
182: ok 14679
182: ok 14680
182: ok 14681
182: ok 14682
182: ok 14683
182: ok 14684
182: ok 14685
182: ok 14686
182: ok 14687
182: ok 14688
182: ok 14689
182: ok 14690
182: ok 14691
182: ok 14692
182: ok 14693
182: ok 14694
182: ok 14695
182: ok 14696
182: ok 14697
182: ok 14698
182: ok 14699
182: ok 14700
182: ok 14701
182: ok 14702
182: ok 14703
182: ok 14704
182: ok 14705
182: ok 14706
182: ok 14707
182: ok 14708
182: ok 14709
182: ok 14710
182: ok 14711
182: ok 14712
182: ok 14713
182: ok 14714
182: ok 14715
182: ok 14716
182: ok 14717
182: ok 14718
182: ok 14719
182: ok 14720
182: ok 14721
182: ok 14722
182: ok 14723
182: ok 14724
182: ok 14725
182: ok 14726
182: ok 14727
182: ok 14728
182: ok 14729
182: ok 14730
182: ok 14731
182: ok 14732
182: ok 14733
182: ok 14734
182: ok 14735
182: ok 14736
182: ok 14737
182: ok 14738
182: ok 14739
182: ok 14740
182: ok 14741
182: ok 14742
182: ok 14743
182: ok 14744
182: ok 14745
182: ok 14746
182: ok 14747
182: ok 14748
182: ok 14749
182: ok 14750
182: ok 14751
182: ok 14752
182: ok 14753
182: ok 14754
182: ok 14755
182: ok 14756
182: ok 14757
182: ok 14758
182: ok 14759
182: ok 14760
182: ok 14761
182: ok 14762
182: ok 14763
182: ok 14764
182: ok 14765
182: ok 14766
182: ok 14767
182: ok 14768
182: ok 14769
182: ok 14770
182: ok 14771
182: ok 14772
182: ok 14773
182: ok 14774
182: ok 14775
182: ok 14776
182: ok 14777
182: ok 14778
182: ok 14779
182: ok 14780
182: ok 14781
182: ok 14782
182: ok 14783
182: ok 14784
182: ok 14785
182: ok 14786
182: ok 14787
182: ok 14788
182: ok 14789
182: ok 14790
182: ok 14791
182: ok 14792
182: ok 14793
182: ok 14794
182: ok 14795
182: ok 14796
182: ok 14797
182: ok 14798
182: ok 14799
182: ok 14800
182: ok 14801
182: ok 14802
182: ok 14803
182: ok 14804
182: ok 14805
182: ok 14806
182: ok 14807
182: ok 14808
182: ok 14809
182: ok 14810
182: ok 14811
182: ok 14812
182: ok 14813
182: ok 14814
182: ok 14815
182: ok 14816
182: ok 14817
182: ok 14818
182: ok 14819
182: ok 14820
182: ok 14821
182: ok 14822
182: ok 14823
182: ok 14824
182: ok 14825
182: ok 14826
182: ok 14827
182: ok 14828
182: ok 14829
182: ok 14830
182: ok 14831
182: ok 14832
182: ok 14833
182: ok 14834
182: ok 14835
182: ok 14836
182: ok 14837
182: ok 14838
182: ok 14839
182: ok 14840
182: ok 14841
182: ok 14842
182: ok 14843
182: ok 14844
182: ok 14845
182: ok 14846
182: ok 14847
182: ok 14848
182: ok 14849
182: ok 14850
182: ok 14851
182: ok 14852
182: ok 14853
182: ok 14854
182: ok 14855
182: ok 14856
182: ok 14857
182: ok 14858
182: ok 14859
182: ok 14860
182: ok 14861
182: ok 14862
182: ok 14863
182: ok 14864
182: ok 14865
182: ok 14866
182: ok 14867
182: ok 14868
182: ok 14869
182: ok 14870
182: ok 14871
182: ok 14872
182: ok 14873
182: ok 14874
182: ok 14875
182: ok 14876
182: ok 14877
182: ok 14878
182: ok 14879
182: ok 14880
182: ok 14881
182: ok 14882
182: ok 14883
182: ok 14884
182: ok 14885
182: ok 14886
182: ok 14887
182: ok 14888
182: ok 14889
182: ok 14890
182: ok 14891
182: ok 14892
182: ok 14893
182: ok 14894
182: ok 14895
182: ok 14896
182: ok 14897
182: ok 14898
182: ok 14899
182: ok 14900
182: ok 14901
182: ok 14902
182: ok 14903
182: ok 14904
182: ok 14905
182: ok 14906
182: ok 14907
182: ok 14908
182: ok 14909
182: ok 14910
182: ok 14911
182: ok 14912
182: ok 14913
182: ok 14914
182: ok 14915
182: ok 14916
182: ok 14917
182: ok 14918
182: ok 14919
182: ok 14920
182: ok 14921
182: ok 14922
182: ok 14923
182: ok 14924
182: ok 14925
182: ok 14926
182: ok 14927
182: ok 14928
182: ok 14929
182: ok 14930
182: ok 14931
182: ok 14932
182: ok 14933
182: ok 14934
182: ok 14935
182: ok 14936
182: ok 14937
182: ok 14938
182: ok 14939
182: ok 14940
182: ok 14941
182: ok 14942
182: ok 14943
182: ok 14944
182: ok 14945
182: ok 14946
182: ok 14947
182: ok 14948
182: ok 14949
182: ok 14950
182: ok 14951
182: ok 14952
182: ok 14953
182: ok 14954
182: ok 14955
182: ok 14956
182: ok 14957
182: ok 14958
182: ok 14959
182: ok 14960
182: ok 14961
182: ok 14962
182: ok 14963
182: ok 14964
182: ok 14965
182: ok 14966
182: ok 14967
182: ok 14968
182: ok 14969
182: ok 14970
182: ok 14971
182: ok 14972
182: ok 14973
182: ok 14974
182: ok 14975
182: ok 14976
182: ok 14977
182: ok 14978
182: ok 14979
182: ok 14980
182: ok 14981
182: ok 14982
182: ok 14983
182: ok 14984
182: ok 14985
182: ok 14986
182: ok 14987
182: ok 14988
182: ok 14989
182: ok 14990
182: ok 14991
182: ok 14992
182: ok 14993
182: ok 14994
182: ok 14995
182: ok 14996
182: ok 14997
182: ok 14998
182: ok 14999
182: ok 15000
182: ok 15001
182: ok 15002
182: ok 15003
182: ok 15004
182: ok 15005
182: ok 15006
182: ok 15007
182: ok 15008
182: ok 15009
182: ok 15010
182: ok 15011
182: ok 15012
182: ok 15013
182: ok 15014
182: ok 15015
182: ok 15016
182: ok 15017
182: ok 15018
182: ok 15019
182: ok 15020
182: ok 15021
182: ok 15022
182: ok 15023
182: ok 15024
182: ok 15025
182: ok 15026
182: ok 15027
182: ok 15028
182: ok 15029
182: ok 15030
182: ok 15031
182: ok 15032
182: ok 15033
182: ok 15034
182: ok 15035
182: ok 15036
182: ok 15037
182: ok 15038
182: ok 15039
182: ok 15040
182: ok 15041
182: ok 15042
182: ok 15043
182: ok 15044
182: ok 15045
182: ok 15046
182: ok 15047
182: ok 15048
182: ok 15049
182: ok 15050
182: ok 15051
182: ok 15052
182: ok 15053
182: ok 15054
182: ok 15055
182: ok 15056
182: ok 15057
182: ok 15058
182: ok 15059
182: ok 15060
182: ok 15061
182: ok 15062
182: ok 15063
182: ok 15064
182: ok 15065
182: ok 15066
182: ok 15067
182: ok 15068
182: ok 15069
182: ok 15070
182: ok 15071
182: ok 15072
182: ok 15073
182: ok 15074
182: ok 15075
182: ok 15076
182: ok 15077
182: ok 15078
182: ok 15079
182: ok 15080
182: ok 15081
182: ok 15082
182: ok 15083
182: ok 15084
182: ok 15085
182: ok 15086
182: ok 15087
182: ok 15088
182: ok 15089
182: ok 15090
182: ok 15091
182: ok 15092
182: ok 15093
182: ok 15094
182: ok 15095
182: ok 15096
182: ok 15097
182: ok 15098
182: ok 15099
182: ok 15100
182: ok 15101
182: ok 15102
182: ok 15103
182: ok 15104
182: ok 15105
182: ok 15106
182: ok 15107
182: ok 15108
182: ok 15109
182: ok 15110
182: ok 15111
182: ok 15112
182: ok 15113
182: ok 15114
182: ok 15115
182: ok 15116
182: ok 15117
182: ok 15118
182: ok 15119
182: ok 15120
182: ok 15121
182: ok 15122
182: ok 15123
182: ok 15124
182: ok 15125
182: ok 15126
182: ok 15127
182: ok 15128
182: ok 15129
182: ok 15130
182: ok 15131
182: ok 15132
182: ok 15133
182: ok 15134
182: ok 15135
182: ok 15136
182: ok 15137
182: ok 15138
182: ok 15139
182: ok 15140
182: ok 15141
182: ok 15142
182: ok 15143
182: ok 15144
182: ok 15145
182: ok 15146
182: ok 15147
182: ok 15148
182: ok 15149
182: ok 15150
182: ok 15151
182: ok 15152
182: ok 15153
182: ok 15154
182: ok 15155
182: ok 15156
182: ok 15157
182: ok 15158
182: ok 15159
182: ok 15160
182: ok 15161
182: ok 15162
182: ok 15163
182: ok 15164
182: ok 15165
182: ok 15166
182: ok 15167
182: ok 15168
182: ok 15169
182: ok 15170
182: ok 15171
182: ok 15172
182: ok 15173
182: ok 15174
182: ok 15175
182: ok 15176
182: ok 15177
182: ok 15178
182: ok 15179
182: ok 15180
182: ok 15181
182: ok 15182
182: ok 15183
182: ok 15184
182: ok 15185
182: ok 15186
182: ok 15187
182: ok 15188
182: ok 15189
182: ok 15190
182: ok 15191
182: ok 15192
182: ok 15193
182: ok 15194
182: ok 15195
182: ok 15196
182: ok 15197
182: ok 15198
182: ok 15199
182: ok 15200
182: ok 15201
182: ok 15202
182: ok 15203
182: ok 15204
182: ok 15205
182: ok 15206
182: ok 15207
182: ok 15208
182: ok 15209
182: ok 15210
182: ok 15211
182: ok 15212
182: ok 15213
182: ok 15214
182: ok 15215
182: ok 15216
182: ok 15217
182: ok 15218
182: ok 15219
182: ok 15220
182: ok 15221
182: ok 15222
182: ok 15223
182: ok 15224
182: ok 15225
182: ok 15226
182: ok 15227
182: ok 15228
182: ok 15229
182: ok 15230
182: ok 15231
182: ok 15232
182: ok 15233
182: ok 15234
182: ok 15235
182: ok 15236
182: ok 15237
182: ok 15238
182: ok 15239
182: ok 15240
182: ok 15241
182: ok 15242
182: ok 15243
182: ok 15244
182: ok 15245
182: ok 15246
182: ok 15247
182: ok 15248
182: ok 15249
182: ok 15250
182: ok 15251
182: ok 15252
182: ok 15253
182: ok 15254
182: ok 15255
182: ok 15256
182: ok 15257
182: ok 15258
182: ok 15259
182: ok 15260
182: ok 15261
182: ok 15262
182: ok 15263
182: ok 15264
182: ok 15265
182: ok 15266
182: ok 15267
182: ok 15268
182: ok 15269
182: ok 15270
182: ok 15271
182: ok 15272
182: ok 15273
182: ok 15274
182: ok 15275
182: ok 15276
182: ok 15277
182: ok 15278
182: ok 15279
182: ok 15280
182: ok 15281
182: ok 15282
182: ok 15283
182: ok 15284
182: ok 15285
182: ok 15286
182: ok 15287
182: ok 15288
182: ok 15289
182: ok 15290
182: ok 15291
182: ok 15292
182: ok 15293
182: ok 15294
182: ok 15295
182: ok 15296
182: ok 15297
182: ok 15298
182: ok 15299
182: ok 15300
182: ok 15301
182: ok 15302
182: ok 15303
182: ok 15304
182: ok 15305
182: ok 15306
182: ok 15307
182: ok 15308
182: ok 15309
182: ok 15310
182: ok 15311
182: ok 15312
182: ok 15313
182: ok 15314
182: ok 15315
182: ok 15316
182: ok 15317
182: ok 15318
182: ok 15319
182: ok 15320
182: ok 15321
182: ok 15322
182: ok 15323
182: ok 15324
182: ok 15325
182: ok 15326
182: ok 15327
182: ok 15328
182: ok 15329
182: ok 15330
182: ok 15331
182: ok 15332
182: ok 15333
182: ok 15334
182: ok 15335
182: ok 15336
182: ok 15337
182: ok 15338
182: ok 15339
182: ok 15340
182: ok 15341
182: ok 15342
182: ok 15343
182: ok 15344
182: ok 15345
182: ok 15346
182: ok 15347
182: ok 15348
182: ok 15349
182: ok 15350
182: ok 15351
182: ok 15352
182: ok 15353
182: ok 15354
182: ok 15355
182: ok 15356
182: ok 15357
182: ok 15358
182: ok 15359
182: ok 15360
182: ok 15361
182: ok 15362
182: ok 15363
182: ok 15364
182: ok 15365
182: ok 15366
182: ok 15367
182: ok 15368
182: ok 15369
182: ok 15370
182: ok 15371
182: ok 15372
182: ok 15373
182: ok 15374
182: ok 15375
182: ok 15376
182: ok 15377
182: ok 15378
182: ok 15379
182: ok 15380
182: ok 15381
182: ok 15382
182: ok 15383
182: ok 15384
182: ok 15385
182: ok 15386
182: ok 15387
182: ok 15388
182: ok 15389
182: ok 15390
182: ok 15391
182: ok 15392
182: ok 15393
182: ok 15394
182: ok 15395
182: ok 15396
182: ok 15397
182: ok 15398
182: ok 15399
182: ok 15400
182: ok 15401
182: ok 15402
182: ok 15403
182: ok 15404
182: ok 15405
182: ok 15406
182: ok 15407
182: ok 15408
182: ok 15409
182: ok 15410
182: ok 15411
182: ok 15412
182: ok 15413
182: ok 15414
182: ok 15415
182: ok 15416
182: ok 15417
182: ok 15418
182: ok 15419
182: ok 15420
182: ok 15421
182: ok 15422
182: ok 15423
182: ok 15424
182: ok 15425
182: ok 15426
182: ok 15427
182: ok 15428
182: ok 15429
182: ok 15430
182: ok 15431
182: ok 15432
182: ok 15433
182: ok 15434
182: ok 15435
182: ok 15436
182: ok 15437
182: ok 15438
182: ok 15439
182: ok 15440
182: ok 15441
182: ok 15442
182: ok 15443
182: ok 15444
182: ok 15445
182: ok 15446
182: ok 15447
182: ok 15448
182: ok 15449
182: ok 15450
182: ok 15451
182: ok 15452
182: ok 15453
182: ok 15454
182: ok 15455
182: ok 15456
182: ok 15457
182: ok 15458
182: ok 15459
182: ok 15460
182: ok 15461
182: ok 15462
182: ok 15463
182: ok 15464
182: ok 15465
182: ok 15466
182: ok 15467
182: ok 15468
182: ok 15469
182: ok 15470
182: ok 15471
182: ok 15472
182: ok 15473
182: ok 15474
182: ok 15475
182: ok 15476
182: ok 15477
182: ok 15478
182: ok 15479
182: ok 15480
182: ok 15481
182: ok 15482
182: ok 15483
182: ok 15484
182: ok 15485
182: ok 15486
182: ok 15487
182: ok 15488
182: ok 15489
182: ok 15490
182: ok 15491
182: ok 15492
182: ok 15493
182: ok 15494
182: ok 15495
182: ok 15496
182: ok 15497
182: ok 15498
182: ok 15499
182: ok 15500
182: ok 15501
182: ok 15502
182: ok 15503
182: ok 15504
182: ok 15505
182: ok 15506
182: ok 15507
182: ok 15508
182: ok 15509
182: ok 15510
182: ok 15511
182: ok 15512
182: ok 15513
182: ok 15514
182: ok 15515
182: ok 15516
182: ok 15517
182: ok 15518
182: ok 15519
182: ok 15520
182: ok 15521
182: ok 15522
182: ok 15523
182: ok 15524
182: ok 15525
182: ok 15526
182: ok 15527
182: ok 15528
182: ok 15529
182: ok 15530
182: ok 15531
182: ok 15532
182: ok 15533
182: ok 15534
182: ok 15535
182: ok 15536
182: ok 15537
182: ok 15538
182: ok 15539
182: ok 15540
182: ok 15541
182: ok 15542
182: ok 15543
182: ok 15544
182: ok 15545
182: ok 15546
182: ok 15547
182: ok 15548
182: ok 15549
182: ok 15550
182: ok 15551
182: ok 15552
182: ok 15553
182: ok 15554
182: ok 15555
182: ok 15556
182: ok 15557
182: ok 15558
182: ok 15559
182: ok 15560
182: ok 15561
182: ok 15562
182: ok 15563
182: ok 15564
182: ok 15565
182: ok 15566
182: ok 15567
182: ok 15568
182: ok 15569
182: ok 15570
182: ok 15571
182: ok 15572
182: ok 15573
182: ok 15574
182: ok 15575
182: ok 15576
182: ok 15577
182: ok 15578
182: ok 15579
182: ok 15580
182: ok 15581
182: ok 15582
182: ok 15583
182: ok 15584
182: ok 15585
182: ok 15586
182: ok 15587
182: ok 15588
182: ok 15589
182: ok 15590
182: ok 15591
182: ok 15592
182: ok 15593
182: ok 15594
182: ok 15595
182: ok 15596
182: ok 15597
182: ok 15598
182: ok 15599
182: ok 15600
182: ok 15601
182: ok 15602
182: ok 15603
182: ok 15604
182: ok 15605
182: ok 15606
182: ok 15607
182: ok 15608
182: ok 15609
182: ok 15610
182: ok 15611
182: ok 15612
182: ok 15613
182: ok 15614
182: ok 15615
182: ok 15616
182: ok 15617
182: ok 15618
182: ok 15619
182: ok 15620
182: ok 15621
182: ok 15622
182: ok 15623
182: ok 15624
182: ok 15625
182: ok 15626
182: ok 15627
182: ok 15628
182: ok 15629
182: ok 15630
182: ok 15631
182: ok 15632
182: ok 15633
182: ok 15634
182: ok 15635
182: ok 15636
182: ok 15637
182: ok 15638
182: ok 15639
182: ok 15640
182: ok 15641
182: ok 15642
182: ok 15643
182: ok 15644
182: ok 15645
182: ok 15646
182: ok 15647
182: ok 15648
182: ok 15649
182: ok 15650
182: ok 15651
182: ok 15652
182: ok 15653
182: ok 15654
182: ok 15655
182: ok 15656
182: ok 15657
182: ok 15658
182: ok 15659
182: ok 15660
182: ok 15661
182: ok 15662
182: ok 15663
182: ok 15664
182: ok 15665
182: ok 15666
182: ok 15667
182: ok 15668
182: ok 15669
182: ok 15670
182: ok 15671
182: ok 15672
182: ok 15673
182: ok 15674
182: ok 15675
182: ok 15676
182: ok 15677
182: ok 15678
182: ok 15679
182: ok 15680
182: ok 15681
182: ok 15682
182: ok 15683
182: ok 15684
182: ok 15685
182: ok 15686
182: ok 15687
182: ok 15688
182: ok 15689
182: ok 15690
182: ok 15691
182: ok 15692
182: ok 15693
182: ok 15694
182: ok 15695
182: ok 15696
182: ok 15697
182: ok 15698
182: ok 15699
182: ok 15700
182: ok 15701
182: ok 15702
182: ok 15703
182: ok 15704
182: ok 15705
182: ok 15706
182: ok 15707
182: ok 15708
182: ok 15709
182: ok 15710
182: ok 15711
182: ok 15712
182: ok 15713
182: ok 15714
182: ok 15715
182: ok 15716
182: ok 15717
182: ok 15718
182: ok 15719
182: ok 15720
182: ok 15721
182: ok 15722
182: ok 15723
182: ok 15724
182: ok 15725
182: ok 15726
182: ok 15727
182: ok 15728
182: ok 15729
182: ok 15730
182: ok 15731
182: ok 15732
182: ok 15733
182: ok 15734
182: ok 15735
182: ok 15736
182: ok 15737
182: ok 15738
182: ok 15739
182: ok 15740
182: ok 15741
182: ok 15742
182: ok 15743
182: ok 15744
182: ok 15745
182: ok 15746
182: ok 15747
182: ok 15748
182: ok 15749
182: ok 15750
182: ok 15751
182: ok 15752
182: ok 15753
182: ok 15754
182: ok 15755
182: ok 15756
182: ok 15757
182: ok 15758
182: ok 15759
182: ok 15760
182: ok 15761
182: ok 15762
182: ok 15763
182: ok 15764
182: ok 15765
182: ok 15766
182: ok 15767
182: ok 15768
182: ok 15769
182: ok 15770
182: ok 15771
182: ok 15772
182: ok 15773
182: ok 15774
182: ok 15775
182: ok 15776
182: ok 15777
182: ok 15778
182: ok 15779
182: ok 15780
182: ok 15781
182: ok 15782
182: ok 15783
182: ok 15784
182: ok 15785
182: ok 15786
182: ok 15787
182: ok 15788
182: ok 15789
182: ok 15790
182: ok 15791
182: ok 15792
182: ok 15793
182: ok 15794
182: ok 15795
182: ok 15796
182: ok 15797
182: ok 15798
182: ok 15799
182: ok 15800
182: ok 15801
182: ok 15802
182: ok 15803
182: ok 15804
182: ok 15805
182: ok 15806
182: ok 15807
182: ok 15808
182: ok 15809
182: ok 15810
182: ok 15811
182: ok 15812
182: ok 15813
182: ok 15814
182: ok 15815
182: ok 15816
182: ok 15817
182: ok 15818
182: ok 15819
182: ok 15820
182: ok 15821
182: ok 15822
182: ok 15823
182: ok 15824
182: ok 15825
182: ok 15826
182: ok 15827
182: ok 15828
182: ok 15829
182: ok 15830
182: ok 15831
182: ok 15832
182: ok 15833
182: ok 15834
182: ok 15835
182: ok 15836
182: ok 15837
182: ok 15838
182: ok 15839
182: ok 15840
182: ok 15841
182: ok 15842
182: ok 15843
182: ok 15844
182: ok 15845
182: ok 15846
182: ok 15847
182: ok 15848
182: ok 15849
182: ok 15850
182: ok 15851
182: ok 15852
182: ok 15853
182: ok 15854
182: ok 15855
182: ok 15856
182: ok 15857
182: ok 15858
182: ok 15859
182: ok 15860
182: ok 15861
182: ok 15862
182: ok 15863
182: ok 15864
182: ok 15865
182: ok 15866
182: ok 15867
182: ok 15868
182: ok 15869
182: ok 15870
182: ok 15871
182: ok 15872
182: ok 15873
182: ok 15874
182: ok 15875
182: ok 15876
182: ok 15877
182: ok 15878
182: ok 15879
182: ok 15880
182: ok 15881
182: ok 15882
182: ok 15883
182: ok 15884
182: ok 15885
182: ok 15886
182: ok 15887
182: ok 15888
182: ok 15889
182: ok 15890
182: ok 15891
182: ok 15892
182: ok 15893
182: ok 15894
182: ok 15895
182: ok 15896
182: ok 15897
182: ok 15898
182: ok 15899
182: ok 15900
182: ok 15901
182: ok 15902
182: ok 15903
182: ok 15904
182: ok 15905
182: ok 15906
182: ok 15907
182: ok 15908
182: ok 15909
182: ok 15910
182: ok 15911
182: ok 15912
182: ok 15913
182: ok 15914
182: ok 15915
182: ok 15916
182: ok 15917
182: ok 15918
182: ok 15919
182: ok 15920
182: ok 15921
182: ok 15922
182: ok 15923
182: ok 15924
182: ok 15925
182: ok 15926
182: ok 15927
182: ok 15928
182: ok 15929
182: ok 15930
182: ok 15931
182: ok 15932
182: ok 15933
182: ok 15934
182: ok 15935
182: ok 15936
182: ok 15937
182: ok 15938
182: ok 15939
182: ok 15940
182: ok 15941
182: ok 15942
182: ok 15943
182: ok 15944
182: ok 15945
182: ok 15946
182: ok 15947
182: ok 15948
182: ok 15949
182: ok 15950
182: ok 15951
182: ok 15952
182: ok 15953
182: ok 15954
182: ok 15955
182: ok 15956
182: ok 15957
182: ok 15958
182: ok 15959
182: ok 15960
182: ok 15961
182: ok 15962
182: ok 15963
182: ok 15964
182: ok 15965
182: ok 15966
182: ok 15967
182: ok 15968
182: ok 15969
182: ok 15970
182: ok 15971
182: ok 15972
182: ok 15973
182: ok 15974
182: ok 15975
182: ok 15976
182: ok 15977
182: ok 15978
182: ok 15979
182: ok 15980
182: ok 15981
182: ok 15982
182: ok 15983
182: ok 15984
182: ok 15985
182: ok 15986
182: ok 15987
182: ok 15988
182: ok 15989
182: ok 15990
182: ok 15991
182: ok 15992
182: ok 15993
182: ok 15994
182: ok 15995
182: ok 15996
182: ok 15997
182: ok 15998
182: ok 15999
182: ok 16000
182: # math: passed testEigenvectors
182: 1..16000
182: # math: all tests are successful
190: ok 1966 # ring membership passed
190: ok 1967 # correct SSSR count
190: ok 1968 # ring membership passed
190: ok 1969 # correct SSSR count
190: ok 1970 # ring membership passed
190: ok 1971 # correct ring bond data
190: ok 1972 # correct ring bond data
190: ok 1973 # correct ring bond data
190: ok 1974 # correct ring bond data
190: ok 1975 # correct ring bond data
190: ok 1976 # correct ring bond data
190: ok 1977 # correct ring bond data
190: ok 1978 # correct ring bond data
190: ok 1979 # correct ring bond data
190: ok 1980 # correct ring bond data
190: ok 1981 # correct ring bond data
190: ok 1982 # correct ring bond data
190: ok 1983 # correct ring bond data
190: ok 1984 # correct ring bond data
190: ok 1985 # correct ring bond data
190: ok 1986 # correct ring bond data
190: ok 1987 # correct ring bond data
190: ok 1988 # correct ring bond data
190: ok 1989 # correct ring bond data
190: ok 1990 # SSSR size matches reference
190: ok 1991 # correct SSSR count
190: ok 1992 # ring membership passed
190: ok 1993 # correct SSSR count
190: ok 1994 # ring membership passed
190: ok 1995 # correct SSSR count
190: ok 1996 # ring membership passed
190: ok 1997 # correct SSSR count
190: ok 1998 # ring membership passed
190: ok 1999 # correct SSSR count
190: ok 2000 # ring membership passed
190: ok 2001 # correct SSSR count
190: ok 2002 # ring membership passed
190: ok 2003 # correct SSSR count
190: ok 2004 # ring membership passed
190: ok 2005 # correct SSSR count
190: ok 2006 # ring membership passed
190: ok 2007 # correct SSSR count
190: ok 2008 # ring membership passed
190: ok 2009 # correct SSSR count
190: ok 2010 # ring membership passed
190: ok 2011 # correct SSSR count
190: ok 2012 # ring membership passed
190: ok 2013 # correct SSSR count
190: ok 2014 # ring membership passed
190: ok 2015 # correct SSSR count
190: ok 2016 # ring membership passed
190: ok 2017 # correct SSSR count
190: ok 2018 # ring membership passed
190: ok 2019 # correct SSSR count
190: ok 2020 # ring membership passed
190: ok 2021 # correct SSSR count
190: ok 2022 # ring membership passed
190: ok 2023 # correct SSSR count
190: ok 2024 # ring membership passed
190: ok 2025 # correct SSSR count
190: ok 2026 # ring membership passed
190: ok 2027 # correct ring bond data
190: ok 2028 # correct ring bond data
190: ok 2029 # correct ring bond data
190: ok 2030 # correct ring bond data
190: ok 2031 # correct ring bond data
190: ok 2032 # correct ring bond data
190: ok 2033 # correct ring bond data
190: ok 2034 # correct ring bond data
190: ok 2035 # correct ring bond data
190: ok 2036 # correct ring bond data
190: ok 2037 # correct ring bond data
190: ok 2038 # correct ring bond data
190: ok 2039 # correct ring bond data
190: ok 2040 # correct ring bond data
190: ok 2041 # correct ring bond data
190: ok 2042 # correct ring bond data
190: ok 2043 # correct ring bond data
190: ok 2044 # correct ring bond data
190: ok 2045 # correct ring bond data
190: ok 2046 # SSSR size matches reference
190: ok 2047 # correct SSSR count
190: ok 2048 # ring membership passed
190: ok 2049 # correct SSSR count
190: ok 2050 # ring membership passed
190: ok 2051 # correct SSSR count
190: ok 2052 # ring membership passed
190: ok 2053 # correct SSSR count
190: ok 2054 # ring membership passed
190: ok 2055 # correct SSSR count
190: ok 2056 # ring membership passed
190: ok 2057 # correct SSSR count
190: ok 2058 # ring membership passed
190: ok 2059 # correct SSSR count
190: ok 2060 # ring membership passed
190: ok 2061 # correct SSSR count
190: ok 2062 # ring membership passed
190: ok 2063 # correct SSSR count
190: ok 2064 # ring membership passed
190: ok 2065 # correct SSSR count
190: ok 2066 # ring membership passed
190: ok 2067 # correct SSSR count
190: ok 2068 # ring membership passed
190: ok 2069 # correct SSSR count
190: ok 2070 # ring membership passed
190: ok 2071 # correct SSSR count
190: ok 2072 # ring membership passed
190: ok 2073 # correct SSSR count
190: ok 2074 # ring membership passed
190: ok 2075 # correct SSSR count
190: ok 2076 # ring membership passed
190: ok 2077 # correct SSSR count
190: ok 2078 # ring membership passed
190: ok 2079 # correct SSSR count
190: ok 2080 # ring membership passed
190: ok 2081 # correct ring bond data
190: ok 2082 # correct ring bond data
190: ok 2083 # correct ring bond data
190: ok 2084 # correct ring bond data
190: ok 2085 # correct ring bond data
190: ok 2086 # correct ring bond data
190: ok 2087 # correct ring bond data
190: ok 2088 # correct ring bond data
190: ok 2089 # correct ring bond data
190: ok 2090 # correct ring bond data
190: ok 2091 # correct ring bond data
190: ok 2092 # correct ring bond data
190: ok 2093 # correct ring bond data
190: ok 2094 # correct ring bond data
190: ok 2095 # correct ring bond data
190: ok 2096 # correct ring bond data
190: ok 2097 # correct ring bond data
190: ok 2098 # correct ring bond data
190: ok 2099 # correct ring bond data
190: ok 2100 # correct ring bond data
190: ok 2101 # correct ring bond data
190: ok 2102 # correct ring bond data
190: ok 2103 # correct ring bond data
190: ok 2104 # correct ring bond data
190: ok 2105 # correct ring bond data
190: ok 2106 # correct ring bond data
190: ok 2107 # correct ring bond data
190: ok 2108 # SSSR size matches reference
190: ok 2109 # correct SSSR count
190: ok 2110 # ring membership passed
190: ok 2111 # correct SSSR count
190: ok 2112 # ring membership passed
190: ok 2113 # correct SSSR count
190: ok 2114 # ring membership passed
190: ok 2115 # correct SSSR count
190: ok 2116 # ring membership passed
190: ok 2117 # correct SSSR count
190: ok 2118 # ring membership passed
190: ok 2119 # correct SSSR count
190: ok 2120 # ring membership passed
190: ok 2121 # correct SSSR count
190: ok 2122 # ring membership passed
190: ok 2123 # correct SSSR count
190: ok 2124 # ring membership passed
190: ok 2125 # correct SSSR count
190: ok 2126 # ring membership passed
190: ok 2127 # correct SSSR count
190: ok 2128 # ring membership passed
190: ok 2129 # correct SSSR count
190: ok 2130 # ring membership passed
190: ok 2131 # correct SSSR count
190: ok 2132 # ring membership passed
190: ok 2133 # correct SSSR count
190: ok 2134 # ring membership passed
190: ok 2135 # correct SSSR count
190: ok 2136 # ring membership passed
190: ok 2137 # correct SSSR count
190: ok 2138 # ring membership passed
190: ok 2139 # correct SSSR count
190: ok 2140 # ring membership passed
190: ok 2141 # correct SSSR count
190: ok 2142 # ring membership passed
190: ok 2143 # correct SSSR count
190: ok 2144 # ring membership passed
190: ok 2145 # correct SSSR count
190: ok 2146 # ring membership passed
190: ok 2147 # correct SSSR count
190: ok 2148 # ring membership passed
190: ok 2149 # correct SSSR count
190: ok 2150 # ring membership passed
190: ok 2151 # correct SSSR count
190: ok 2152 # ring membership passed
190: ok 2153 # correct SSSR count
190: ok 2154 # ring membership passed
190: ok 2155 # correct SSSR count
190: ok 2156 # ring membership passed
190: ok 2157 # correct SSSR count
190: ok 2158 # ring membership passed
190: ok 2159 # correct SSSR count
190: ok 2160 # ring membership passed
190: ok 2161 # correct ring bond data
190: ok 2162 # correct ring bond data
190: ok 2163 # correct ring bond data
190: ok 2164 # correct ring bond data
190: ok 2165 # correct ring bond data
190: ok 2166 # correct ring bond data
190: ok 2167 # correct ring bond data
190: ok 2168 # correct ring bond data
190: ok 2169 # correct ring bond data
190: ok 2170 # correct ring bond data
190: ok 2171 # correct ring bond data
190: ok 2172 # correct ring bond data
190: ok 2173 # correct ring bond data
190: ok 2174 # correct ring bond data
190: ok 2175 # correct ring bond data
190: ok 2176 # correct ring bond data
190: ok 2177 # correct ring bond data
190: ok 2178 # correct ring bond data
190: ok 2179 # correct ring bond data
190: ok 2180 # correct ring bond data
190: ok 2181 # SSSR size matches reference
190: ok 2182 # correct SSSR count
190: ok 2183 # ring membership passed
190: ok 2184 # correct SSSR count
190: ok 2185 # ring membership passed
190: ok 2186 # correct SSSR count
190: ok 2187 # ring membership passed
190: ok 2188 # correct SSSR count
190: ok 2189 # ring membership passed
190: ok 2190 # correct SSSR count
190: ok 2191 # ring membership passed
190: ok 2192 # correct SSSR count
190: ok 2193 # ring membership passed
190: ok 2194 # correct SSSR count
190: ok 2195 # ring membership passed
190: ok 2196 # correct SSSR count
190: ok 2197 # ring membership passed
190: ok 2198 # correct SSSR count
190: ok 2199 # ring membership passed
190: ok 2200 # correct SSSR count
190: ok 2201 # ring membership passed
190: ok 2202 # correct SSSR count
190: ok 2203 # ring membership passed
190: ok 2204 # correct SSSR count
190: ok 2205 # ring membership passed
190: ok 2206 # correct SSSR count
190: ok 2207 # ring membership passed
190: ok 2208 # correct SSSR count
190: ok 2209 # ring membership passed
190: ok 2210 # correct SSSR count
190: ok 2211 # ring membership passed
190: ok 2212 # correct SSSR count
190: ok 2213 # ring membership passed
190: ok 2214 # correct SSSR count
190: ok 2215 # ring membership passed
190: ok 2216 # correct SSSR count
190: ok 2217 # ring membership passed
190: ok 2218 # correct SSSR count
190: ok 2219 # ring membership passed
190: ok 2220 # correct ring bond data
190: ok 2221 # correct ring bond data
190: ok 2222 # correct ring bond data
190: ok 2223 # correct ring bond data
190: ok 2224 # correct ring bond data
190: ok 2225 # correct ring bond data
190: ok 2226 # correct ring bond data
190: ok 2227 # correct ring bond data
190: ok 2228 # correct ring bond data
190: ok 2229 # correct ring bond data
190: ok 2230 # correct ring bond data
190: ok 2231 # correct ring bond data
190: ok 2232 # correct ring bond data
190: ok 2233 # correct ring bond data
190: ok 2234 # correct ring bond data
190: ok 2235 # correct ring bond data
190: ok 2236 # correct ring bond data
190: ok 2237 # correct ring bond data
190: ok 2238 # correct ring bond data
190: ok 2239 # correct ring bond data
190: ok 2240 # SSSR size matches reference
190: ok 2241 # correct SSSR count
190: ok 2242 # ring membership passed
190: ok 2243 # correct SSSR count
190: ok 2244 # ring membership passed
190: ok 2245 # correct SSSR count
190: ok 2246 # ring membership passed
190: ok 2247 # correct SSSR count
190: ok 2248 # ring membership passed
190: ok 2249 # correct SSSR count
190: ok 2250 # ring membership passed
190: ok 2251 # correct SSSR count
190: ok 2252 # ring membership passed
190: ok 2253 # correct SSSR count
190: ok 2254 # ring membership passed
190: ok 2255 # correct SSSR count
190: ok 2256 # ring membership passed
190: ok 2257 # correct SSSR count
190: ok 2258 # ring membership passed
190: ok 2259 # correct SSSR count
190: ok 2260 # ring membership passed
190: ok 2261 # correct SSSR count
190: ok 2262 # ring membership passed
190: ok 2263 # correct SSSR count
190: ok 2264 # ring membership passed
190: ok 2265 # correct SSSR count
190: ok 2266 # ring membership passed
190: ok 2267 # correct SSSR count
190: ok 2268 # ring membership passed
190: ok 2269 # correct SSSR count
190: ok 2270 # ring membership passed
190: ok 2271 # correct SSSR count
190: ok 2272 # ring membership passed
190: ok 2273 # correct SSSR count
190: ok 2274 # ring membership passed
190: ok 2275 # correct SSSR count
190: ok 2276 # ring membership passed
190: ok 2277 # correct SSSR count
190: ok 2278 # ring membership passed
190: ok 2279 # correct ring bond data
190: ok 2280 # correct ring bond data
190: ok 2281 # correct ring bond data
190: ok 2282 # correct ring bond data
190: ok 2283 # correct ring bond data
190: ok 2284 # correct ring bond data
190: ok 2285 # correct ring bond data
190: ok 2286 # correct ring bond data
190: ok 2287 # correct ring bond data
190: ok 2288 # correct ring bond data
190: ok 2289 # correct ring bond data
190: ok 2290 # correct ring bond data
190: ok 2291 # correct ring bond data
190: ok 2292 # correct ring bond data
190: ok 2293 # correct ring bond data
190: ok 2294 # correct ring bond data
190: ok 2295 # correct ring bond data
190: ok 2296 # correct ring bond data
190: ok 2297 # correct ring bond data
190: ok 2298 # SSSR size matches reference
190: ok 2299 # correct SSSR count
190: ok 2300 # ring membership passed
190: ok 2301 # correct SSSR count
190: ok 2302 # ring membership passed
190: ok 2303 # correct SSSR count
190: ok 2304 # ring membership passed
190: ok 2305 # correct SSSR count
190: ok 2306 # ring membership passed
190: ok 2307 # correct SSSR count
190: ok 2308 # ring membership passed
190: ok 2309 # correct SSSR count
190: ok 2310 # ring membership passed
190: ok 2311 # correct SSSR count
190: ok 2312 # ring membership passed
190: ok 2313 # correct SSSR count
190: ok 2314 # ring membership passed
190: ok 2315 # correct SSSR count
190: ok 2316 # ring membership passed
190: ok 2317 # correct SSSR count
190: ok 2318 # ring membership passed
190: ok 2319 # correct SSSR count
190: ok 2320 # ring membership passed
190: ok 2321 # correct SSSR count
190: ok 2322 # ring membership passed
190: ok 2323 # correct SSSR count
190: ok 2324 # ring membership passed
190: ok 2325 # correct SSSR count
190: ok 2326 # ring membership passed
190: ok 2327 # correct SSSR count
190: ok 2328 # ring membership passed
190: ok 2329 # correct SSSR count
190: ok 2330 # ring membership passed
190: ok 2331 # correct SSSR count
190: ok 2332 # ring membership passed
190: ok 2333 # correct SSSR count
190: ok 2334 # ring membership passed
190: ok 2335 # correct ring bond data
190: ok 2336 # correct ring bond data
190: ok 2337 # correct ring bond data
190: ok 2338 # correct ring bond data
190: ok 2339 # correct ring bond data
190: ok 2340 # correct ring bond data
190: ok 2341 # correct ring bond data
190: ok 2342 # correct ring bond data
190: ok 2343 # correct ring bond data
190: ok 2344 # correct ring bond data
190: ok 2345 # correct ring bond data
190: ok 2346 # correct ring bond data
190: ok 2347 # correct ring bond data
190: ok 2348 # correct ring bond data
190: ok 2349 # correct ring bond data
190: ok 2350 # correct ring bond data
190: ok 2351 # SSSR size matches reference
190: ok 2352 # correct SSSR count
190: ok 2353 # ring membership passed
190: ok 2354 # correct SSSR count
190: ok 2355 # ring membership passed
190: ok 2356 # correct SSSR count
190: ok 2357 # ring membership passed
190: ok 2358 # correct SSSR count
190: ok 2359 # ring membership passed
190: ok 2360 # correct SSSR count
190: ok 2361 # ring membership passed
190: ok 2362 # correct SSSR count
190: ok 2363 # ring membership passed
190: ok 2364 # correct SSSR count
190: ok 2365 # ring membership passed
190: ok 2366 # correct SSSR count
190: ok 2367 # ring membership passed
190: ok 2368 # correct SSSR count
190: ok 2369 # ring membership passed
190: ok 2370 # correct SSSR count
190: ok 2371 # ring membership passed
190: ok 2372 # correct SSSR count
190: ok 2373 # ring membership passed
190: ok 2374 # correct SSSR count
190: ok 2375 # ring membership passed
190: ok 2376 # correct SSSR count
190: ok 2377 # ring membership passed
190: ok 2378 # correct SSSR count
190: ok 2379 # ring membership passed
190: ok 2380 # correct SSSR count
190: ok 2381 # ring membership passed
190: ok 2382 # correct ring bond data
190: ok 2383 # correct ring bond data
190: ok 2384 # correct ring bond data
190: ok 2385 # correct ring bond data
190: ok 2386 # correct ring bond data
190: ok 2387 # correct ring bond data
190: ok 2388 # correct ring bond data
190: ok 2389 # correct ring bond data
190: ok 2390 # correct ring bond data
190: ok 2391 # correct ring bond data
190: ok 2392 # correct ring bond data
190: ok 2393 # correct ring bond data
190: ok 2394 # correct ring bond data
190: ok 2395 # correct ring bond data
190: ok 2396 # correct ring bond data
190: ok 2397 # correct ring bond data
190: ok 2398 # SSSR size matches reference
190: ok 2399 # correct SSSR count
190: ok 2400 # ring membership passed
190: ok 2401 # correct SSSR count
190: ok 2402 # ring membership passed
190: ok 2403 # correct SSSR count
190: ok 2404 # ring membership passed
190: ok 2405 # correct SSSR count
190: ok 2406 # ring membership passed
190: ok 2407 # correct SSSR count
190: ok 2408 # ring membership passed
190: ok 2409 # correct SSSR count
190: ok 2410 # ring membership passed
190: ok 2411 # correct SSSR count
190: ok 2412 # ring membership passed
190: ok 2413 # correct SSSR count
190: ok 2414 # ring membership passed
190: ok 2415 # correct SSSR count
190: ok 2416 # ring membership passed
190: ok 2417 # correct SSSR count
190: ok 2418 # ring membership passed
190: ok 2419 # correct SSSR count
190: ok 2420 # ring membership passed
190: ok 2421 # correct SSSR count
190: ok 2422 # ring membership passed
190: ok 2423 # correct SSSR count
190: ok 2424 # ring membership passed
190: ok 2425 # correct SSSR count
190: ok 2426 # ring membership passed
190: ok 2427 # correct SSSR count
190: ok 2428 # ring membership passed
190: ok 2429 # correct ring bond data
190: ok 2430 # correct ring bond data
190: ok 2431 # correct ring bond data
190: ok 2432 # correct ring bond data
190: ok 2433 # correct ring bond data
190: ok 2434 # correct ring bond data
190: ok 2435 # correct ring bond data
190: ok 2436 # correct ring bond data
190: ok 2437 # correct ring bond data
190: ok 2438 # correct ring bond data
190: ok 2439 # correct ring bond data
190: ok 2440 # correct ring bond data
190: ok 2441 # correct ring bond data
190: ok 2442 # correct ring bond data
190: ok 2443 # correct ring bond data
190: ok 2444 # correct ring bond data
190: ok 2445 # correct ring bond data
190: ok 2446 # correct ring bond data
190: ok 2447 # correct ring bond data
190: ok 2448 # SSSR size matches reference
190: ok 2449 # correct SSSR count
190: ok 2450 # ring membership passed
190: ok 2451 # correct SSSR count
190: ok 2452 # ring membership passed
190: ok 2453 # correct SSSR count
190: ok 2454 # ring membership passed
190: ok 2455 # correct SSSR count
190: ok 2456 # ring membership passed
190: ok 2457 # correct SSSR count
190: ok 2458 # ring membership passed
190: ok 2459 # correct SSSR count
190: ok 2460 # ring membership passed
190: ok 2461 # correct SSSR count
190: ok 2462 # ring membership passed
190: ok 2463 # correct SSSR count
190: ok 2464 # ring membership passed
190: ok 2465 # correct SSSR count
190: ok 2466 # ring membership passed
190: ok 2467 # correct SSSR count
190: ok 2468 # ring membership passed
190: ok 2469 # correct SSSR count
190: ok 2470 # ring membership passed
190: ok 2471 # correct SSSR count
190: ok 2472 # ring membership passed
190: ok 2473 # correct SSSR count
190: ok 2474 # ring membership passed
190: ok 2475 # correct SSSR count
190: ok 2476 # ring membership passed
190: ok 2477 # correct SSSR count
190: ok 2478 # ring membership passed
190: ok 2479 # correct SSSR count
190: ok 2480 # ring membership passed
190: ok 2481 # correct SSSR count
190: ok 2482 # ring membership passed
190: ok 2483 # correct SSSR count
190: ok 2484 # ring membership passed
190: ok 2485 # correct ring bond data
190: ok 2486 # correct ring bond data
190: ok 2487 # correct ring bond data
190: ok 2488 # correct ring bond data
190: ok 2489 # correct ring bond data
190: ok 2490 # correct ring bond data
190: ok 2491 # correct ring bond data
190: ok 2492 # correct ring bond data
190: ok 2493 # correct ring bond data
190: ok 2494 # correct ring bond data
190: ok 2495 # correct ring bond data
190: ok 2496 # correct ring bond data
190: ok 2497 # correct ring bond data
190: ok 2498 # correct ring bond data
190: ok 2499 # correct ring bond data
190: ok 2500 # correct ring bond data
190: ok 2501 # correct ring bond data
190: ok 2502 # correct ring bond data
190: ok 2503 # correct ring bond data
190: ok 2504 # correct ring bond data
190: ok 2505 # SSSR size matches reference
190: ok 2506 # correct SSSR count
190: ok 2507 # ring membership passed
190: ok 2508 # correct SSSR count
190: ok 2509 # ring membership passed
190: ok 2510 # correct SSSR count
190: ok 2511 # ring membership passed
190: ok 2512 # correct SSSR count
190: ok 2513 # ring membership passed
190: ok 2514 # correct SSSR count
190: ok 2515 # ring membership passed
190: ok 2516 # correct SSSR count
190: ok 2517 # ring membership passed
190: ok 2518 # correct SSSR count
190: ok 2519 # ring membership passed
190: ok 2520 # correct SSSR count
190: ok 2521 # ring membership passed
190: ok 2522 # correct SSSR count
190: ok 2523 # ring membership passed
190: ok 2524 # correct SSSR count
190: ok 2525 # ring membership passed
190: ok 2526 # correct SSSR count
190: ok 2527 # ring membership passed
190: ok 2528 # correct SSSR count
190: ok 2529 # ring membership passed
190: ok 2530 # correct SSSR count
190: ok 2531 # ring membership passed
190: ok 2532 # correct SSSR count
190: ok 2533 # ring membership passed
190: ok 2534 # correct SSSR count
190: ok 2535 # ring membership passed
190: ok 2536 # correct SSSR count
190: ok 2537 # ring membership passed
190: ok 2538 # correct SSSR count
190: ok 2539 # ring membership passed
190: ok 2540 # correct SSSR count
190: ok 2541 # ring membership passed
190: ok 2542 # correct SSSR count
190: ok 2543 # ring membership passed
190: ok 2544 # correct SSSR count
190: ok 2545 # ring membership passed
190: ok 2546 # correct ring bond data
190: ok 2547 # correct ring bond data
190: ok 2548 # correct ring bond data
190: ok 2549 # correct ring bond data
190: ok 2550 # correct ring bond data
190: ok 2551 # correct ring bond data
190: ok 2552 # correct ring bond data
190: ok 2553 # correct ring bond data
190: ok 2554 # correct ring bond data
190: ok 2555 # correct ring bond data
190: ok 2556 # correct ring bond data
190: ok 2557 # correct ring bond data
190: ok 2558 # correct ring bond data
190: ok 2559 # correct ring bond data
190: ok 2560 # correct ring bond data
190: ok 2561 # SSSR size matches reference
190: ok 2562 # correct SSSR count
190: ok 2563 # ring membership passed
190: ok 2564 # correct SSSR count
190: ok 2565 # ring membership passed
190: ok 2566 # correct SSSR count
190: ok 2567 # ring membership passed
190: ok 2568 # correct SSSR count
190: ok 2569 # ring membership passed
190: ok 2570 # correct SSSR count
190: ok 2571 # ring membership passed
190: ok 2572 # correct SSSR count
190: ok 2573 # ring membership passed
190: ok 2574 # correct SSSR count
190: ok 2575 # ring membership passed
190: ok 2576 # correct SSSR count
190: ok 2577 # ring membership passed
190: ok 2578 # correct SSSR count
190: ok 2579 # ring membership passed
190: ok 2580 # correct SSSR count
190: ok 2581 # ring membership passed
190: ok 2582 # correct SSSR count
190: ok 2583 # ring membership passed
190: ok 2584 # correct SSSR count
190: ok 2585 # ring membership passed
190: ok 2586 # correct SSSR count
190: ok 2587 # ring membership passed
190: ok 2588 # correct SSSR count
190: ok 2589 # ring membership passed
190: ok 2590 # correct ring bond data
190: ok 2591 # correct ring bond data
190: ok 2592 # correct ring bond data
190: ok 2593 # correct ring bond data
190: ok 2594 # correct ring bond data
190: ok 2595 # correct ring bond data
190: ok 2596 # correct ring bond data
190: ok 2597 # correct ring bond data
190: ok 2598 # correct ring bond data
190: ok 2599 # correct ring bond data
190: ok 2600 # correct ring bond data
190: ok 2601 # correct ring bond data
190: ok 2602 # correct ring bond data
190: ok 2603 # correct ring bond data
190: ok 2604 # correct ring bond data
190: ok 2605 # correct ring bond data
190: ok 2606 # correct ring bond data
190: ok 2607 # correct ring bond data
190: ok 2608 # correct ring bond data
190: ok 2609 # correct ring bond data
190: ok 2610 # correct ring bond data
190: ok 2611 # correct ring bond data
190: ok 2612 # SSSR size matches reference
190: ok 2613 # correct SSSR count
190: ok 2614 # ring membership passed
190: ok 2615 # correct SSSR count
190: ok 2616 # ring membership passed
190: ok 2617 # correct SSSR count
190: ok 2618 # ring membership passed
190: ok 2619 # correct SSSR count
190: ok 2620 # ring membership passed
190: ok 2621 # correct SSSR count
190: ok 2622 # ring membership passed
190: ok 2623 # correct SSSR count
190: ok 2624 # ring membership passed
190: ok 2625 # correct SSSR count
190: ok 2626 # ring membership passed
190: ok 2627 # correct SSSR count
190: ok 2628 # ring membership passed
190: ok 2629 # correct SSSR count
190: ok 2630 # ring membership passed
190: ok 2631 # correct SSSR count
190: ok 2632 # ring membership passed
190: ok 2633 # correct SSSR count
190: ok 2634 # ring membership passed
190: ok 2635 # correct SSSR count
190: ok 2636 # ring membership passed
190: ok 2637 # correct SSSR count
190: ok 2638 # ring membership passed
190: ok 2639 # correct SSSR count
190: ok 2640 # ring membership passed
190: ok 2641 # correct SSSR count
190: ok 2642 # ring membership passed
190: ok 2643 # correct SSSR count
190: ok 2644 # ring membership passed
190: ok 2645 # correct SSSR count
190: ok 2646 # ring membership passed
190: ok 2647 # correct SSSR count
190: ok 2648 # ring membership passed
190: ok 2649 # correct SSSR count
190: ok 2650 # ring membership passed
190: ok 2651 # correct SSSR count
190: ok 2652 # ring membership passed
190: ok 2653 # correct ring bond data
190: ok 2654 # correct ring bond data
190: ok 2655 # correct ring bond data
190: ok 2656 # correct ring bond data
190: ok 2657 # correct ring bond data
190: ok 2658 # correct ring bond data
190: ok 2659 # correct ring bond data
190: ok 2660 # correct ring bond data
190: ok 2661 # correct ring bond data
190: ok 2662 # correct ring bond data
190: ok 2663 # correct ring bond data
190: ok 2664 # correct ring bond data
190: ok 2665 # correct ring bond data
190: ok 2666 # correct ring bond data
190: ok 2667 # correct ring bond data
190: ok 2668 # correct ring bond data
190: ok 2669 # correct ring bond data
190: ok 2670 # correct ring bond data
190: ok 2671 # correct ring bond data
190: ok 2672 # correct ring bond data
190: ok 2673 # correct ring bond data
190: ok 2674 # correct ring bond data
190: ok 2675 # SSSR size matches reference
190: ok 2676 # correct SSSR count
190: ok 2677 # ring membership passed
190: ok 2678 # correct SSSR count
190: ok 2679 # ring membership passed
190: ok 2680 # correct SSSR count
190: ok 2681 # ring membership passed
190: ok 2682 # correct SSSR count
190: ok 2683 # ring membership passed
190: ok 2684 # correct SSSR count
190: ok 2685 # ring membership passed
190: ok 2686 # correct SSSR count
190: ok 2687 # ring membership passed
190: ok 2688 # correct SSSR count
190: ok 2689 # ring membership passed
190: ok 2690 # correct SSSR count
190: ok 2691 # ring membership passed
190: ok 2692 # correct SSSR count
190: ok 2693 # ring membership passed
190: ok 2694 # correct SSSR count
190: ok 2695 # ring membership passed
190: ok 2696 # correct SSSR count
190: ok 2697 # ring membership passed
190: ok 2698 # correct SSSR count
190: ok 2699 # ring membership passed
190: ok 2700 # correct SSSR count
190: ok 2701 # ring membership passed
190: ok 2702 # correct SSSR count
190: ok 2703 # ring membership passed
190: ok 2704 # correct SSSR count
190: ok 2705 # ring membership passed
190: ok 2706 # correct SSSR count
190: ok 2707 # ring membership passed
190: ok 2708 # correct SSSR count
190: ok 2709 # ring membership passed
190: ok 2710 # correct SSSR count
190: ok 2711 # ring membership passed
190: ok 2712 # correct SSSR count
190: ok 2713 # ring membership passed
190: ok 2714 # correct SSSR count
190: ok 2715 # ring membership passed
190: ok 2716 # correct ring bond data
190: ok 2717 # correct ring bond data
190: ok 2718 # correct ring bond data
190: ok 2719 # correct ring bond data
190: ok 2720 # correct ring bond data
190: ok 2721 # correct ring bond data
190: ok 2722 # correct ring bond data
190: ok 2723 # correct ring bond data
190: ok 2724 # correct ring bond data
190: ok 2725 # correct ring bond data
190: ok 2726 # correct ring bond data
190: ok 2727 # correct ring bond data
190: ok 2728 # correct ring bond data
190: ok 2729 # correct ring bond data
190: ok 2730 # correct ring bond data
190: ok 2731 # correct ring bond data
190: ok 2732 # SSSR size matches reference
190: ok 2733 # correct SSSR count
190: ok 2734 # ring membership passed
190: ok 2735 # correct SSSR count
190: ok 2736 # ring membership passed
190: ok 2737 # correct SSSR count
190: ok 2738 # ring membership passed
190: ok 2739 # correct SSSR count
190: ok 2740 # ring membership passed
190: ok 2741 # correct SSSR count
190: ok 2742 # ring membership passed
190: ok 2743 # correct SSSR count
190: ok 2744 # ring membership passed
190: ok 2745 # correct SSSR count
190: ok 2746 # ring membership passed
190: ok 2747 # correct SSSR count
190: ok 2748 # ring membership passed
190: ok 2749 # correct SSSR count
190: ok 2750 # ring membership passed
190: ok 2751 # correct SSSR count
190: ok 2752 # ring membership passed
190: ok 2753 # correct SSSR count
190: ok 2754 # ring membership passed
190: ok 2755 # correct SSSR count
190: ok 2756 # ring membership passed
190: ok 2757 # correct SSSR count
190: ok 2758 # ring membership passed
190: ok 2759 # correct SSSR count
190: ok 2760 # ring membership passed
190: ok 2761 # correct SSSR count
190: ok 2762 # ring membership passed
190: ok 2763 # correct ring bond data
190: ok 2764 # correct ring bond data
190: ok 2765 # correct ring bond data
190: ok 2766 # correct ring bond data
190: ok 2767 # correct ring bond data
190: ok 2768 # correct ring bond data
190: ok 2769 # correct ring bond data
190: ok 2770 # correct ring bond data
190: ok 2771 # correct ring bond data
190: ok 2772 # correct ring bond data
190: ok 2773 # correct ring bond data
190: ok 2774 # correct ring bond data
190: ok 2775 # correct ring bond data
190: ok 2776 # correct ring bond data
190: ok 2777 # correct ring bond data
190: ok 2778 # correct ring bond data
190: ok 2779 # correct ring bond data
190: ok 2780 # correct ring bond data
190: ok 2781 # correct ring bond data
190: ok 2782 # correct ring bond data
190: ok 2783 # SSSR size matches reference
190: ok 2784 # correct SSSR count
190: ok 2785 # ring membership passed
190: ok 2786 # correct SSSR count
190: ok 2787 # ring membership passed
190: ok 2788 # correct SSSR count
190: ok 2789 # ring membership passed
190: ok 2790 # correct SSSR count
190: ok 2791 # ring membership passed
190: ok 2792 # correct SSSR count
190: ok 2793 # ring membership passed
190: ok 2794 # correct SSSR count
190: ok 2795 # ring membership passed
190: ok 2796 # correct SSSR count
190: ok 2797 # ring membership passed
190: ok 2798 # correct SSSR count
190: ok 2799 # ring membership passed
190: ok 2800 # correct SSSR count
190: ok 2801 # ring membership passed
190: ok 2802 # correct SSSR count
190: ok 2803 # ring membership passed
190: ok 2804 # correct SSSR count
190: ok 2805 # ring membership passed
190: ok 2806 # correct SSSR count
190: ok 2807 # ring membership passed
190: ok 2808 # correct SSSR count
190: ok 2809 # ring membership passed
190: ok 2810 # correct SSSR count
190: ok 2811 # ring membership passed
190: ok 2812 # correct SSSR count
190: ok 2813 # ring membership passed
190: ok 2814 # correct SSSR count
190: ok 2815 # ring membership passed
190: ok 2816 # correct SSSR count
190: ok 2817 # ring membership passed
190: ok 2818 # correct SSSR count
190: ok 2819 # ring membership passed
190: ok 2820 # correct SSSR count
190: ok 2821 # ring membership passed
190: ok 2822 # correct SSSR count
190: ok 2823 # ring membership passed
190: ok 2824 # correct ring bond data
190: ok 2825 # correct ring bond data
190: ok 2826 # correct ring bond data
190: ok 2827 # correct ring bond data
190: ok 2828 # correct ring bond data
190: ok 2829 # correct ring bond data
190: ok 2830 # correct ring bond data
190: ok 2831 # correct ring bond data
190: ok 2832 # correct ring bond data
190: ok 2833 # correct ring bond data
190: ok 2834 # correct ring bond data
190: ok 2835 # correct ring bond data
190: ok 2836 # correct ring bond data
190: ok 2837 # correct ring bond data
190: ok 2838 # correct ring bond data
190: ok 2839 # correct ring bond data
190: ok 2840 # correct ring bond data
190: ok 2841 # correct ring bond data
190: ok 2842 # correct ring bond data
190: ok 2843 # correct ring bond data
190: ok 2844 # correct ring bond data
190: ok 2845 # correct ring bond data
190: ok 2846 # correct ring bond data
190: ok 2847 # correct ring bond data
190: ok 2848 # SSSR size matches reference
190: ok 2849 # correct SSSR count
190: ok 2850 # ring membership passed
190: ok 2851 # correct SSSR count
190: ok 2852 # ring membership passed
190: ok 2853 # correct SSSR count
190: ok 2854 # ring membership passed
190: ok 2855 # correct SSSR count
190: ok 2856 # ring membership passed
190: ok 2857 # correct SSSR count
190: ok 2858 # ring membership passed
190: ok 2859 # correct SSSR count
190: ok 2860 # ring membership passed
190: ok 2861 # correct SSSR count
190: ok 2862 # ring membership passed
190: ok 2863 # correct SSSR count
190: ok 2864 # ring membership passed
190: ok 2865 # correct SSSR count
190: ok 2866 # ring membership passed
190: ok 2867 # correct SSSR count
190: ok 2868 # ring membership passed
190: ok 2869 # correct SSSR count
190: ok 2870 # ring membership passed
190: ok 2871 # correct SSSR count
190: ok 2872 # ring membership passed
190: ok 2873 # correct SSSR count
190: ok 2874 # ring membership passed
190: ok 2875 # correct SSSR count
190: ok 2876 # ring membership passed
190: ok 2877 # correct SSSR count
190: ok 2878 # ring membership passed
190: ok 2879 # correct SSSR count
190: ok 2880 # ring membership passed
190: ok 2881 # correct SSSR count
190: ok 2882 # ring membership passed
190: ok 2883 # correct SSSR count
190: ok 2884 # ring membership passed
190: ok 2885 # correct SSSR count
190: ok 2886 # ring membership passed
190: ok 2887 # correct SSSR count
190: ok 2888 # ring membership passed
190: ok 2889 # correct SSSR count
190: ok 2890 # ring membership passed
190: ok 2891 # correct ring bond data
190: ok 2892 # correct ring bond data
190: ok 2893 # correct ring bond data
190: ok 2894 # correct ring bond data
190: ok 2895 # correct ring bond data
190: ok 2896 # correct ring bond data
190: ok 2897 # correct ring bond data
190: ok 2898 # correct ring bond data
190: ok 2899 # correct ring bond data
190: ok 2900 # correct ring bond data
190: ok 2901 # correct ring bond data
190: ok 2902 # correct ring bond data
190: ok 2903 # correct ring bond data
190: ok 2904 # correct ring bond data
190: ok 2905 # correct ring bond data
190: ok 2906 # correct ring bond data
190: ok 2907 # correct ring bond data
190: ok 2908 # correct ring bond data
190: ok 2909 # correct ring bond data
190: ok 2910 # correct ring bond data
190: ok 2911 # correct ring bond data
190: ok 2912 # correct ring bond data
190: ok 2913 # correct ring bond data
190: ok 2914 # correct ring bond data
190: ok 2915 # correct ring bond data
190: ok 2916 # correct ring bond data
190: ok 2917 # correct ring bond data
190: ok 2918 # correct ring bond data
190: ok 2919 # correct ring bond data
190: ok 2920 # correct ring bond data
190: ok 2921 # correct ring bond data
190: ok 2922 # SSSR size matches reference
190: ok 2923 # correct SSSR count
190: ok 2924 # ring membership passed
190: ok 2925 # correct SSSR count
190: ok 2926 # ring membership passed
190: ok 2927 # correct SSSR count
190: ok 2928 # ring membership passed
190: ok 2929 # correct SSSR count
190: ok 2930 # ring membership passed
190: ok 2931 # correct SSSR count
190: ok 2932 # ring membership passed
190: ok 2933 # correct SSSR count
190: ok 2934 # ring membership passed
190: ok 2935 # correct SSSR count
190: ok 2936 # ring membership passed
190: ok 2937 # correct SSSR count
190: ok 2938 # ring membership passed
190: ok 2939 # correct SSSR count
190: ok 2940 # ring membership passed
190: ok 2941 # correct SSSR count
190: ok 2942 # ring membership passed
190: ok 2943 # correct SSSR count
190: ok 2944 # ring membership passed
190: ok 2945 # correct SSSR count
190: ok 2946 # ring membership passed
190: ok 2947 # correct SSSR count
190: ok 2948 # ring membership passed
190: ok 2949 # correct SSSR count
190: ok 2950 # ring membership passed
190: ok 2951 # correct SSSR count
190: ok 2952 # ring membership passed
190: ok 2953 # correct SSSR count
190: ok 2954 # ring membership passed
190: ok 2955 # correct SSSR count
190: ok 2956 # ring membership passed
190: ok 2957 # correct SSSR count
190: ok 2958 # ring membership passed
190: ok 2959 # correct SSSR count
190: ok 2960 # ring membership passed
190: ok 2961 # correct SSSR count
190: ok 2962 # ring membership passed
190: ok 2963 # correct SSSR count
190: ok 2964 # ring membership passed
190: ok 2965 # correct SSSR count
190: ok 2966 # ring membership passed
190: ok 2967 # correct SSSR count
190: ok 2968 # ring membership passed
190: ok 2969 # correct SSSR count
190: ok 2970 # ring membership passed
190: ok 2971 # correct SSSR count
190: ok 2972 # ring membership passed
190: ok 2973 # correct SSSR count
190: ok 2974 # ring membership passed
190: ok 2975 # correct SSSR count
190: ok 2976 # ring membership passed
190: ok 2977 # correct ring bond data
190: ok 2978 # correct ring bond data
190: ok 2979 # correct ring bond data
190: ok 2980 # correct ring bond data
190: ok 2981 # correct ring bond data
190: ok 2982 # correct ring bond data
190: ok 2983 # correct ring bond data
190: ok 2984 # correct ring bond data
190: ok 2985 # correct ring bond data
190: ok 2986 # correct ring bond data
190: ok 2987 # correct ring bond data
190: ok 2988 # correct ring bond data
190: ok 2989 # correct ring bond data
190: ok 2990 # correct ring bond data
190: ok 2991 # correct ring bond data
190: ok 2992 # SSSR size matches reference
190: ok 2993 # correct SSSR count
190: ok 2994 # ring membership passed
190: ok 2995 # correct SSSR count
190: ok 2996 # ring membership passed
190: ok 2997 # correct SSSR count
190: ok 2998 # ring membership passed
190: ok 2999 # correct SSSR count
190: ok 3000 # ring membership passed
190: ok 3001 # correct SSSR count
190: ok 3002 # ring membership passed
190: ok 3003 # correct SSSR count
190: ok 3004 # ring membership passed
190: ok 3005 # correct SSSR count
190: ok 3006 # ring membership passed
190: ok 3007 # correct SSSR count
190: ok 3008 # ring membership passed
190: ok 3009 # correct SSSR count
190: ok 3010 # ring membership passed
190: ok 3011 # correct SSSR count
190: ok 3012 # ring membership passed
190: ok 3013 # correct SSSR count
190: ok 3014 # ring membership passed
190: ok 3015 # correct SSSR count
190: ok 3016 # ring membership passed
190: ok 3017 # correct SSSR count
190: ok 3018 # ring membership passed
190: ok 3019 # correct SSSR count
190: ok 3020 # ring membership passed
190: ok 3021 # correct ring bond data
190: ok 3022 # correct ring bond data
190: ok 3023 # correct ring bond data
190: ok 3024 # correct ring bond data
190: ok 3025 # correct ring bond data
190: ok 3026 # correct ring bond data
190: ok 3027 # correct ring bond data
190: ok 3028 # correct ring bond data
190: ok 3029 # correct ring bond data
190: ok 3030 # correct ring bond data
190: ok 3031 # correct ring bond data
190: ok 3032 # correct ring bond data
190: ok 3033 # correct ring bond data
190: ok 3034 # correct ring bond data
190: ok 3035 # correct ring bond data
190: ok 3036 # correct ring bond data
190: ok 3037 # correct ring bond data
190: ok 3038 # correct ring bond data
190: ok 3039 # correct ring bond data
190: ok 3040 # correct ring bond data
190: ok 3041 # SSSR size matches reference
190: ok 3042 # correct SSSR count
190: ok 3043 # ring membership passed
190: ok 3044 # correct SSSR count
190: ok 3045 # ring membership passed
190: ok 3046 # correct SSSR count
190: ok 3047 # ring membership passed
190: ok 3048 # correct SSSR count
190: ok 3049 # ring membership passed
190: ok 3050 # correct SSSR count
190: ok 3051 # ring membership passed
190: ok 3052 # correct SSSR count
190: ok 3053 # ring membership passed
190: ok 3054 # correct SSSR count
190: ok 3055 # ring membership passed
190: ok 3056 # correct SSSR count
190: ok 3057 # ring membership passed
190: ok 3058 # correct SSSR count
190: ok 3059 # ring membership passed
190: ok 3060 # correct SSSR count
190: ok 3061 # ring membership passed
190: ok 3062 # correct SSSR count
190: ok 3063 # ring membership passed
190: ok 3064 # correct SSSR count
190: ok 3065 # ring membership passed
190: ok 3066 # correct SSSR count
190: ok 3067 # ring membership passed
190: ok 3068 # correct SSSR count
190: ok 3069 # ring membership passed
190: ok 3070 # correct SSSR count
190: ok 3071 # ring membership passed
190: ok 3072 # correct SSSR count
190: ok 3073 # ring membership passed
190: ok 3074 # correct SSSR count
190: ok 3075 # ring membership passed
190: ok 3076 # correct SSSR count
190: ok 3077 # ring membership passed
190: ok 3078 # correct SSSR count
190: ok 3079 # ring membership passed
190: ok 3080 # correct ring bond data
190: ok 3081 # correct ring bond data
190: ok 3082 # correct ring bond data
190: ok 3083 # correct ring bond data
190: ok 3084 # correct ring bond data
190: ok 3085 # correct ring bond data
190: ok 3086 # correct ring bond data
190: ok 3087 # correct ring bond data
190: ok 3088 # correct ring bond data
190: ok 3089 # correct ring bond data
190: ok 3090 # correct ring bond data
190: ok 3091 # correct ring bond data
190: ok 3092 # correct ring bond data
190: ok 3093 # correct ring bond data
190: ok 3094 # correct ring bond data
190: ok 3095 # correct ring bond data
190: ok 3096 # correct ring bond data
190: ok 3097 # correct ring bond data
190: ok 3098 # correct ring bond data
190: ok 3099 # correct ring bond data
190: ok 3100 # correct ring bond data
190: ok 3101 # SSSR size matches reference
190: ok 3102 # correct SSSR count
190: ok 3103 # ring membership passed
190: ok 3104 # correct SSSR count
190: ok 3105 # ring membership passed
190: ok 3106 # correct SSSR count
190: ok 3107 # ring membership passed
190: ok 3108 # correct SSSR count
190: ok 3109 # ring membership passed
190: ok 3110 # correct SSSR count
190: ok 3111 # ring membership passed
190: ok 3112 # correct SSSR count
190: ok 3113 # ring membership passed
190: ok 3114 # correct SSSR count
190: ok 3115 # ring membership passed
190: ok 3116 # correct SSSR count
190: ok 3117 # ring membership passed
190: ok 3118 # correct SSSR count
190: ok 3119 # ring membership passed
190: ok 3120 # correct SSSR count
190: ok 3121 # ring membership passed
190: ok 3122 # correct SSSR count
190: ok 3123 # ring membership passed
190: ok 3124 # correct SSSR count
190: ok 3125 # ring membership passed
190: ok 3126 # correct SSSR count
190: ok 3127 # ring membership passed
190: ok 3128 # correct SSSR count
190: ok 3129 # ring membership passed
190: ok 3130 # correct SSSR count
190: ok 3131 # ring membership passed
190: ok 3132 # correct SSSR count
190: ok 3133 # ring membership passed
190: ok 3134 # correct SSSR count
190: ok 3135 # ring membership passed
190: ok 3136 # correct SSSR count
190: ok 3137 # ring membership passed
190: ok 3138 # correct SSSR count
190: ok 3139 # ring membership passed
190: ok 3140 # correct SSSR count
190: ok 3141 # ring membership passed
190: ok 3142 # correct ring bond data
190: ok 3143 # correct ring bond data
190: ok 3144 # correct ring bond data
190: ok 3145 # correct ring bond data
190: ok 3146 # correct ring bond data
190: ok 3147 # correct ring bond data
190: ok 3148 # correct ring bond data
190: ok 3149 # correct ring bond data
190: ok 3150 # correct ring bond data
190: ok 3151 # correct ring bond data
190: ok 3152 # correct ring bond data
190: ok 3153 # correct ring bond data
190: ok 3154 # correct ring bond data
190: ok 3155 # correct ring bond data
190: ok 3156 # correct ring bond data
190: ok 3157 # correct ring bond data
190: ok 3158 # correct ring bond data
190: ok 3159 # correct ring bond data
190: ok 3160 # correct ring bond data
190: ok 3161 # correct ring bond data
190: ok 3162 # correct ring bond data
190: ok 3163 # correct ring bond data
190: ok 3164 # SSSR size matches reference
190: ok 3165 # correct SSSR count
190: ok 3166 # ring membership passed
190: ok 3167 # correct SSSR count
190: ok 3168 # ring membership passed
190: ok 3169 # correct SSSR count
190: ok 3170 # ring membership passed
190: ok 3171 # correct SSSR count
190: ok 3172 # ring membership passed
190: ok 3173 # correct SSSR count
190: ok 3174 # ring membership passed
190: ok 3175 # correct SSSR count
190: ok 3176 # ring membership passed
190: ok 3177 # correct SSSR count
190: ok 3178 # ring membership passed
190: ok 3179 # correct SSSR count
190: ok 3180 # ring membership passed
190: ok 3181 # correct SSSR count
190: ok 3182 # ring membership passed
190: ok 3183 # correct SSSR count
190: ok 3184 # ring membership passed
190: ok 3185 # correct SSSR count
190: ok 3186 # ring membership passed
190: ok 3187 # correct SSSR count
190: ok 3188 # ring membership passed
190: ok 3189 # correct SSSR count
190: ok 3190 # ring membership passed
190: ok 3191 # correct SSSR count
190: ok 3192 # ring membership passed
190: ok 3193 # correct SSSR count
190: ok 3194 # ring membership passed
190: ok 3195 # correct SSSR count
190: ok 3196 # ring membership passed
190: ok 3197 # correct SSSR count
190: ok 3198 # ring membership passed
190: ok 3199 # correct SSSR count
190: ok 3200 # ring membership passed
190: ok 3201 # correct SSSR count
190: ok 3202 # ring membership passed
190: ok 3203 # correct SSSR count
190: ok 3204 # ring membership passed
190: ok 3205 # correct SSSR count
190: ok 3206 # ring membership passed
190: ok 3207 # correct SSSR count
190: ok 3208 # ring membership passed
190: ok 3209 # correct ring bond data
190: ok 3210 # correct ring bond data
190: ok 3211 # correct ring bond data
190: ok 3212 # correct ring bond data
190: ok 3213 # correct ring bond data
190: ok 3214 # correct ring bond data
190: ok 3215 # correct ring bond data
190: ok 3216 # correct ring bond data
190: ok 3217 # correct ring bond data
190: ok 3218 # correct ring bond data
190: ok 3219 # correct ring bond data
190: ok 3220 # correct ring bond data
190: ok 3221 # correct ring bond data
190: ok 3222 # correct ring bond data
190: ok 3223 # correct ring bond data
190: ok 3224 # correct ring bond data
190: ok 3225 # correct ring bond data
190: ok 3226 # correct ring bond data
190: ok 3227 # correct ring bond data
190: ok 3228 # correct ring bond data
190: ok 3229 # SSSR size matches reference
190: ok 3230 # correct SSSR count
190: ok 3231 # ring membership passed
190: ok 3232 # correct SSSR count
190: ok 3233 # ring membership passed
190: ok 3234 # correct SSSR count
190: ok 3235 # ring membership passed
190: ok 3236 # correct SSSR count
190: ok 3237 # ring membership passed
190: ok 3238 # correct SSSR count
190: ok 3239 # ring membership passed
190: ok 3240 # correct SSSR count
190: ok 3241 # ring membership passed
190: ok 3242 # correct SSSR count
190: ok 3243 # ring membership passed
190: ok 3244 # correct SSSR count
190: ok 3245 # ring membership passed
190: ok 3246 # correct SSSR count
190: ok 3247 # ring membership passed
190: ok 3248 # correct SSSR count
190: ok 3249 # ring membership passed
190: ok 3250 # correct SSSR count
190: ok 3251 # ring membership passed
190: ok 3252 # correct SSSR count
190: ok 3253 # ring membership passed
190: ok 3254 # correct SSSR count
190: ok 3255 # ring membership passed
190: ok 3256 # correct SSSR count
190: ok 3257 # ring membership passed
190: ok 3258 # correct SSSR count
190: ok 3259 # ring membership passed
190: ok 3260 # correct SSSR count
190: ok 3261 # ring membership passed
190: ok 3262 # correct SSSR count
190: ok 3263 # ring membership passed
190: ok 3264 # correct SSSR count
190: ok 3265 # ring membership passed
190: ok 3266 # correct SSSR count
190: ok 3267 # ring membership passed
190: ok 3268 # correct ring bond data
190: ok 3269 # correct ring bond data
190: ok 3270 # correct ring bond data
190: ok 3271 # correct ring bond data
190: ok 3272 # correct ring bond data
190: ok 3273 # correct ring bond data
190: ok 3274 # correct ring bond data
190: ok 3275 # correct ring bond data
190: ok 3276 # correct ring bond data
190: ok 3277 # correct ring bond data
190: ok 3278 # correct ring bond data
190: ok 3279 # correct ring bond data
190: ok 3280 # correct ring bond data
190: ok 3281 # correct ring bond data
190: ok 3282 # correct ring bond data
190: ok 3283 # correct ring bond data
190: ok 3284 # correct ring bond data
190: ok 3285 # correct ring bond data
190: ok 3286 # correct ring bond data
190: ok 3287 # correct ring bond data
190: ok 3288 # correct ring bond data
190: ok 3289 # correct ring bond data
190: ok 3290 # SSSR size matches reference
190: ok 3291 # correct SSSR count
190: ok 3292 # ring membership passed
190: ok 3293 # correct SSSR count
190: ok 3294 # ring membership passed
190: ok 3295 # correct SSSR count
190: ok 3296 # ring membership passed
190: ok 3297 # correct SSSR count
190: ok 3298 # ring membership passed
190: ok 3299 # correct SSSR count
190: ok 3300 # ring membership passed
190: ok 3301 # correct SSSR count
190: ok 3302 # ring membership passed
190: ok 3303 # correct SSSR count
190: ok 3304 # ring membership passed
190: ok 3305 # correct SSSR count
190: ok 3306 # ring membership passed
190: ok 3307 # correct SSSR count
190: ok 3308 # ring membership passed
190: ok 3309 # correct SSSR count
190: ok 3310 # ring membership passed
190: ok 3311 # correct SSSR count
190: ok 3312 # ring membership passed
190: ok 3313 # correct SSSR count
190: ok 3314 # ring membership passed
190: ok 3315 # correct SSSR count
190: ok 3316 # ring membership passed
190: ok 3317 # correct SSSR count
190: ok 3318 # ring membership passed
190: ok 3319 # correct SSSR count
190: ok 3320 # ring membership passed
190: ok 3321 # correct SSSR count
190: ok 3322 # ring membership passed
190: ok 3323 # correct SSSR count
190: ok 3324 # ring membership passed
190: ok 3325 # correct SSSR count
190: ok 3326 # ring membership passed
190: ok 3327 # correct SSSR count
190: ok 3328 # ring membership passed
190: ok 3329 # correct SSSR count
190: ok 3330 # ring membership passed
190: ok 3331 # correct SSSR count
190: ok 3332 # ring membership passed
190: ok 3333 # correct ring bond data
190: ok 3334 # correct ring bond data
190: ok 3335 # correct ring bond data
190: ok 3336 # correct ring bond data
190: ok 3337 # correct ring bond data
190: ok 3338 # correct ring bond data
190: ok 3339 # correct ring bond data
190: ok 3340 # correct ring bond data
190: ok 3341 # correct ring bond data
190: ok 3342 # correct ring bond data
190: ok 3343 # correct ring bond data
190: ok 3344 # correct ring bond data
190: ok 3345 # correct ring bond data
190: ok 3346 # correct ring bond data
190: ok 3347 # correct ring bond data
190: ok 3348 # correct ring bond data
190: ok 3349 # correct ring bond data
190: ok 3350 # correct ring bond data
190: ok 3351 # correct ring bond data
190: ok 3352 # correct ring bond data
190: ok 3353 # correct ring bond data
190: ok 3354 # SSSR size matches reference
190: ok 3355 # correct SSSR count
190: ok 3356 # ring membership passed
190: ok 3357 # correct SSSR count
190: ok 3358 # ring membership passed
190: ok 3359 # correct SSSR count
190: ok 3360 # ring membership passed
190: ok 3361 # correct SSSR count
190: ok 3362 # ring membership passed
190: ok 3363 # correct SSSR count
190: ok 3364 # ring membership passed
190: ok 3365 # correct SSSR count
190: ok 3366 # ring membership passed
190: ok 3367 # correct SSSR count
190: ok 3368 # ring membership passed
190: ok 3369 # correct SSSR count
190: ok 3370 # ring membership passed
190: ok 3371 # correct SSSR count
190: ok 3372 # ring membership passed
190: ok 3373 # correct SSSR count
190: ok 3374 # ring membership passed
190: ok 3375 # correct SSSR count
190: ok 3376 # ring membership passed
190: ok 3377 # correct SSSR count
190: ok 3378 # ring membership passed
190: ok 3379 # correct SSSR count
190: ok 3380 # ring membership passed
190: ok 3381 # correct SSSR count
190: ok 3382 # ring membership passed
190: ok 3383 # correct SSSR count
190: ok 3384 # ring membership passed
190: ok 3385 # correct SSSR count
190: ok 3386 # ring membership passed
190: ok 3387 # correct SSSR count
190: ok 3388 # ring membership passed
190: ok 3389 # correct SSSR count
190: ok 3390 # ring membership passed
190: ok 3391 # correct SSSR count
190: ok 3392 # ring membership passed
190: ok 3393 # correct SSSR count
190: ok 3394 # ring membership passed
190: ok 3395 # correct ring bond data
190: ok 3396 # correct ring bond data
190: ok 3397 # correct ring bond data
190: ok 3398 # correct ring bond data
190: ok 3399 # correct ring bond data
190: ok 3400 # correct ring bond data
190: ok 3401 # correct ring bond data
190: ok 3402 # correct ring bond data
190: ok 3403 # correct ring bond data
190: ok 3404 # correct ring bond data
190: ok 3405 # correct ring bond data
190: ok 3406 # correct ring bond data
190: ok 3407 # correct ring bond data
190: ok 3408 # correct ring bond data
190: ok 3409 # correct ring bond data
190: ok 3410 # correct ring bond data
190: ok 3411 # correct ring bond data
190: ok 3412 # correct ring bond data
190: ok 3413 # correct ring bond data
190: ok 3414 # correct ring bond data
190: ok 3415 # SSSR size matches reference
190: ok 3416 # correct SSSR count
190: ok 3417 # ring membership passed
190: ok 3418 # correct SSSR count
190: ok 3419 # ring membership passed
190: ok 3420 # correct SSSR count
190: ok 3421 # ring membership passed
190: ok 3422 # correct SSSR count
190: ok 3423 # ring membership passed
190: ok 3424 # correct SSSR count
190: ok 3425 # ring membership passed
190: ok 3426 # correct SSSR count
190: ok 3427 # ring membership passed
190: ok 3428 # correct SSSR count
190: ok 3429 # ring membership passed
190: ok 3430 # correct SSSR count
190: ok 3431 # ring membership passed
190: ok 3432 # correct SSSR count
190: ok 3433 # ring membership passed
190: ok 3434 # correct SSSR count
190: ok 3435 # ring membership passed
190: ok 3436 # correct SSSR count
190: ok 3437 # ring membership passed
190: ok 3438 # correct SSSR count
190: ok 3439 # ring membership passed
190: ok 3440 # correct SSSR count
190: ok 3441 # ring membership passed
190: ok 3442 # correct SSSR count
190: ok 3443 # ring membership passed
190: ok 3444 # correct SSSR count
190: ok 3445 # ring membership passed
190: ok 3446 # correct SSSR count
190: ok 3447 # ring membership passed
190: ok 3448 # correct SSSR count
190: ok 3449 # ring membership passed
190: ok 3450 # correct SSSR count
190: ok 3451 # ring membership passed
190: ok 3452 # correct SSSR count
190: ok 3453 # ring membership passed
190: ok 3454 # correct SSSR count
190: ok 3455 # ring membership passed
190: ok 3456 # correct ring bond data
190: ok 3457 # correct ring bond data
190: ok 3458 # correct ring bond data
190: ok 3459 # correct ring bond data
190: ok 3460 # correct ring bond data
190: ok 3461 # correct ring bond data
190: ok 3462 # correct ring bond data
190: ok 3463 # correct ring bond data
190: ok 3464 # correct ring bond data
190: ok 3465 # correct ring bond data
190: ok 3466 # correct ring bond data
190: ok 3467 # correct ring bond data
190: ok 3468 # correct ring bond data
190: ok 3469 # correct ring bond data
190: ok 3470 # correct ring bond data
190: ok 3471 # correct ring bond data
190: ok 3472 # correct ring bond data
190: ok 3473 # correct ring bond data
190: ok 3474 # correct ring bond data
190: ok 3475 # correct ring bond data
190: ok 3476 # correct ring bond data
190: ok 3477 # correct ring bond data
190: ok 3478 # SSSR size matches reference
190: ok 3479 # correct SSSR count
190: ok 3480 # ring membership passed
190: ok 3481 # correct SSSR count
190: ok 3482 # ring membership passed
190: ok 3483 # correct SSSR count
190: ok 3484 # ring membership passed
190: ok 3485 # correct SSSR count
190: ok 3486 # ring membership passed
190: ok 3487 # correct SSSR count
190: ok 3488 # ring membership passed
190: ok 3489 # correct SSSR count
190: ok 3490 # ring membership passed
190: ok 3491 # correct SSSR count
190: ok 3492 # ring membership passed
190: ok 3493 # correct SSSR count
190: ok 3494 # ring membership passed
190: ok 3495 # correct SSSR count
190: ok 3496 # ring membership passed
190: ok 3497 # correct SSSR count
190: ok 3498 # ring membership passed
190: ok 3499 # correct SSSR count
190: ok 3500 # ring membership passed
190: ok 3501 # correct SSSR count
190: ok 3502 # ring membership passed
190: ok 3503 # correct SSSR count
190: ok 3504 # ring membership passed
190: ok 3505 # correct SSSR count
190: ok 3506 # ring membership passed
190: ok 3507 # correct SSSR count
190: ok 3508 # ring membership passed
190: ok 3509 # correct SSSR count
190: ok 3510 # ring membership passed
190: ok 3511 # correct SSSR count
190: ok 3512 # ring membership passed
190: ok 3513 # correct SSSR count
190: ok 3514 # ring membership passed
190: ok 3515 # correct SSSR count
190: ok 3516 # ring membership passed
190: ok 3517 # correct SSSR count
190: ok 3518 # ring membership passed
190: ok 3519 # correct SSSR count
190: ok 3520 # ring membership passed
190: ok 3521 # correct ring bond data
190: ok 3522 # correct ring bond data
190: ok 3523 # correct ring bond data
190: ok 3524 # correct ring bond data
190: ok 3525 # correct ring bond data
190: ok 3526 # correct ring bond data
190: ok 3527 # correct ring bond data
190: ok 3528 # correct ring bond data
190: ok 3529 # correct ring bond data
190: ok 3530 # correct ring bond data
190: ok 3531 # correct ring bond data
190: ok 3532 # correct ring bond data
190: ok 3533 # correct ring bond data
190: ok 3534 # correct ring bond data
190: ok 3535 # correct ring bond data
190: ok 3536 # correct ring bond data
190: ok 3537 # correct ring bond data
190: ok 3538 # correct ring bond data
190: ok 3539 # correct ring bond data
190: ok 3540 # correct ring bond data
190: ok 3541 # correct ring bond data
190: ok 3542 # correct ring bond data
190: ok 3543 # correct ring bond data
190: ok 3544 # correct ring bond data
190: ok 3545 # correct ring bond data
190: ok 3546 # correct ring bond data
190: ok 3547 # correct ring bond data
190: ok 3548 # SSSR size matches reference
190: ok 3549 # correct SSSR count
190: ok 3550 # ring membership passed
190: ok 3551 # correct SSSR count
190: ok 3552 # ring membership passed
190: ok 3553 # correct SSSR count
190: ok 3554 # ring membership passed
190: ok 3555 # correct SSSR count
190: ok 3556 # ring membership passed
190: ok 3557 # correct SSSR count
190: ok 3558 # ring membership passed
190: ok 3559 # correct SSSR count
190: ok 3560 # ring membership passed
190: ok 3561 # correct SSSR count
190: ok 3562 # ring membership passed
190: ok 3563 # correct SSSR count
190: ok 3564 # ring membership passed
190: ok 3565 # correct SSSR count
190: ok 3566 # ring membership passed
190: ok 3567 # correct SSSR count
190: ok 3568 # ring membership passed
190: ok 3569 # correct SSSR count
190: ok 3570 # ring membership passed
190: ok 3571 # correct SSSR count
190: ok 3572 # ring membership passed
190: ok 3573 # correct SSSR count
190: ok 3574 # ring membership passed
190: ok 3575 # correct SSSR count
190: ok 3576 # ring membership passed
190: ok 3577 # correct SSSR count
190: ok 3578 # ring membership passed
190: ok 3579 # correct SSSR count
190: ok 3580 # ring membership passed
190: ok 3581 # correct SSSR count
190: ok 3582 # ring membership passed
190: ok 3583 # correct SSSR count
190: ok 3584 # ring membership passed
190: ok 3585 # correct SSSR count
190: ok 3586 # ring membership passed
190: ok 3587 # correct SSSR count
190: ok 3588 # ring membership passed
190: ok 3589 # correct SSSR count
190: ok 3590 # ring membership passed
190: ok 3591 # correct SSSR count
190: ok 3592 # ring membership passed
190: ok 3593 # correct SSSR count
190: ok 3594 # ring membership passed
190: ok 3595 # correct SSSR count
190: ok 3596 # ring membership passed
190: ok 3597 # correct SSSR count
190: ok 3598 # ring membership passed
190: ok 3599 # correct ring bond data
190: ok 3600 # correct ring bond data
190: ok 3601 # correct ring bond data
190: ok 3602 # correct ring bond data
190: ok 3603 # correct ring bond data
190: ok 3604 # correct ring bond data
190: ok 3605 # correct ring bond data
190: ok 3606 # correct ring bond data
190: ok 3607 # correct ring bond data
190: ok 3608 # correct ring bond data
190: ok 3609 # correct ring bond data
190: ok 3610 # correct ring bond data
190: ok 3611 # correct ring bond data
190: ok 3612 # correct ring bond data
190: ok 3613 # SSSR size matches reference
190: ok 3614 # correct SSSR count
190: ok 3615 # ring membership passed
190: ok 3616 # correct SSSR count
190: ok 3617 # ring membership passed
190: ok 3618 # correct SSSR count
190: ok 3619 # ring membership passed
190: ok 3620 # correct SSSR count
190: ok 3621 # ring membership passed
190: ok 3622 # correct SSSR count
190: ok 3623 # ring membership passed
190: ok 3624 # correct SSSR count
190: ok 3625 # ring membership passed
190: ok 3626 # correct SSSR count
190: ok 3627 # ring membership passed
190: ok 3628 # correct SSSR count
190: ok 3629 # ring membership passed
190: ok 3630 # correct SSSR count
190: ok 3631 # ring membership passed
190: ok 3632 # correct SSSR count
190: ok 3633 # ring membership passed
190: ok 3634 # correct SSSR count
190: ok 3635 # ring membership passed
190: ok 3636 # correct SSSR count
190: ok 3637 # ring membership passed
190: ok 3638 # correct SSSR count
190: ok 3639 # ring membership passed
190: ok 3640 # correct SSSR count
190: ok 3641 # ring membership passed
190: ok 3642 # correct ring bond data
190: ok 3643 # correct ring bond data
190: ok 3644 # correct ring bond data
190: ok 3645 # correct ring bond data
190: ok 3646 # correct ring bond data
190: ok 3647 # correct ring bond data
190: ok 3648 # correct ring bond data
190: ok 3649 # correct ring bond data
190: ok 3650 # correct ring bond data
190: ok 3651 # correct ring bond data
190: ok 3652 # correct ring bond data
190: ok 3653 # correct ring bond data
190: ok 3654 # correct ring bond data
190: ok 3655 # correct ring bond data
190: ok 3656 # correct ring bond data
190: ok 3657 # correct ring bond data
190: ok 3658 # correct ring bond data
190: ok 3659 # correct ring bond data
190: ok 3660 # correct ring bond data
190: ok 3661 # correct ring bond data
190: ok 3662 # correct ring bond data
190: ok 3663 # correct ring bond data
190: ok 3664 # SSSR size matches reference
190: ok 3665 # correct SSSR count
190: ok 3666 # ring membership passed
190: ok 3667 # correct SSSR count
190: ok 3668 # ring membership passed
190: ok 3669 # correct SSSR count
190: ok 3670 # ring membership passed
190: ok 3671 # correct SSSR count
190: ok 3672 # ring membership passed
190: ok 3673 # correct SSSR count
190: ok 3674 # ring membership passed
190: ok 3675 # correct SSSR count
190: ok 3676 # ring membership passed
190: ok 3677 # correct SSSR count
190: ok 3678 # ring membership passed
190: ok 3679 # correct SSSR count
190: ok 3680 # ring membership passed
190: ok 3681 # correct SSSR count
190: ok 3682 # ring membership passed
190: ok 3683 # correct SSSR count
190: ok 3684 # ring membership passed
190: ok 3685 # correct SSSR count
190: ok 3686 # ring membership passed
190: ok 3687 # correct SSSR count
190: ok 3688 # ring membership passed
190: ok 3689 # correct SSSR count
190: ok 3690 # ring membership passed
190: ok 3691 # correct SSSR count
190: ok 3692 # ring membership passed
190: ok 3693 # correct SSSR count
190: ok 3694 # ring membership passed
190: ok 3695 # correct SSSR count
190: ok 3696 # ring membership passed
190: ok 3697 # correct SSSR count
190: ok 3698 # ring membership passed
190: ok 3699 # correct SSSR count
190: ok 3700 # ring membership passed
190: ok 3701 # correct SSSR count
190: ok 3702 # ring membership passed
190: ok 3703 # correct SSSR count
190: ok 3704 # ring membership passed
190: ok 3705 # correct SSSR count
190: ok 3706 # ring membership passed
190: ok 3707 # correct SSSR count
190: ok 3708 # ring membership passed
190: ok 3709 # correct ring bond data
190: ok 3710 # correct ring bond data
190: ok 3711 # correct ring bond data
190: ok 3712 # correct ring bond data
190: ok 3713 # correct ring bond data
190: ok 3714 # correct ring bond data
190: ok 3715 # correct ring bond data
190: ok 3716 # correct ring bond data
190: ok 3717 # correct ring bond data
190: ok 3718 # correct ring bond data
190: ok 3719 # correct ring bond data
190: ok 3720 # correct ring bond data
190: ok 3721 # correct ring bond data
190: ok 3722 # SSSR size matches reference
190: ok 3723 # correct SSSR count
190: ok 3724 # ring membership passed
190: ok 3725 # correct SSSR count
190: ok 3726 # ring membership passed
190: ok 3727 # correct SSSR count
190: ok 3728 # ring membership passed
190: ok 3729 # correct SSSR count
190: ok 3730 # ring membership passed
190: ok 3731 # correct SSSR count
190: ok 3732 # ring membership passed
190: ok 3733 # correct SSSR count
190: ok 3734 # ring membership passed
190: ok 3735 # correct SSSR count
190: ok 3736 # ring membership passed
190: ok 3737 # correct SSSR count
190: ok 3738 # ring membership passed
190: ok 3739 # correct SSSR count
190: ok 3740 # ring membership passed
190: ok 3741 # correct SSSR count
190: ok 3742 # ring membership passed
190: ok 3743 # correct SSSR count
190: ok 3744 # ring membership passed
190: ok 3745 # correct SSSR count
190: ok 3746 # ring membership passed
190: ok 3747 # correct SSSR count
190: ok 3748 # ring membership passed
190: ok 3749 # correct SSSR count
190: ok 3750 # ring membership passed
190: ok 3751 # correct ring bond data
190: ok 3752 # correct ring bond data
190: ok 3753 # correct ring bond data
190: ok 3754 # correct ring bond data
190: ok 3755 # correct ring bond data
190: ok 3756 # correct ring bond data
190: ok 3757 # correct ring bond data
190: ok 3758 # correct ring bond data
190: ok 3759 # correct ring bond data
190: ok 3760 # correct ring bond data
190: ok 3761 # correct ring bond data
190: ok 3762 # correct ring bond data
190: ok 3763 # correct ring bond data
190: ok 3764 # correct ring bond data
190: ok 3765 # correct ring bond data
190: ok 3766 # correct ring bond data
190: ok 3767 # correct ring bond data
190: ok 3768 # correct ring bond data
190: ok 3769 # correct ring bond data
190: ok 3770 # correct ring bond data
190: ok 3771 # correct ring bond data
190: ok 3772 # correct ring bond data
190: ok 3773 # correct ring bond data
190: ok 3774 # correct ring bond data
190: ok 3775 # correct ring bond data
190: ok 3776 # correct ring bond data
190: ok 3777 # correct ring bond data
190: ok 3778 # correct ring bond data
190: ok 3779 # correct ring bond data
190: ok 3780 # correct ring bond data
190: ok 3781 # correct ring bond data
190: ok 3782 # SSSR size matches reference
190: ok 3783 # correct SSSR count
190: ok 3784 # ring membership passed
190: ok 3785 # correct SSSR count
190: ok 3786 # ring membership passed
190: ok 3787 # correct SSSR count
190: ok 3788 # ring membership passed
190: ok 3789 # correct SSSR count
190: ok 3790 # ring membership passed
190: ok 3791 # correct SSSR count
190: ok 3792 # ring membership passed
190: ok 3793 # correct SSSR count
190: ok 3794 # ring membership passed
190: ok 3795 # correct SSSR count
190: ok 3796 # ring membership passed
190: ok 3797 # correct SSSR count
190: ok 3798 # ring membership passed
190: ok 3799 # correct SSSR count
190: ok 3800 # ring membership passed
190: ok 3801 # correct SSSR count
190: ok 3802 # ring membership passed
190: ok 3803 # correct SSSR count
190: ok 3804 # ring membership passed
190: ok 3805 # correct SSSR count
190: ok 3806 # ring membership passed
190: ok 3807 # correct SSSR count
190: ok 3808 # ring membership passed
190: ok 3809 # correct SSSR count
190: ok 3810 # ring membership passed
190: ok 3811 # correct SSSR count
190: ok 3812 # ring membership passed
190: ok 3813 # correct SSSR count
190: ok 3814 # ring membership passed
190: ok 3815 # correct SSSR count
190: ok 3816 # ring membership passed
190: ok 3817 # correct SSSR count
190: ok 3818 # ring membership passed
190: ok 3819 # correct SSSR count
190: ok 3820 # ring membership passed
190: ok 3821 # correct SSSR count
190: ok 3822 # ring membership passed
190: ok 3823 # correct SSSR count
190: ok 3824 # ring membership passed
190: ok 3825 # correct SSSR count
190: ok 3826 # ring membership passed
190: ok 3827 # correct SSSR count
190: ok 3828 # ring membership passed
190: ok 3829 # correct SSSR count
190: ok 3830 # ring membership passed
190: ok 3831 # correct SSSR count
190: ok 3832 # ring membership passed
190: ok 3833 # correct SSSR count
190: ok 3834 # ring membership passed
190: ok 3835 # correct SSSR count
190: ok 3836 # ring membership passed
190: ok 3837 # correct SSSR count
190: ok 3838 # ring membership passed
190: ok 3839 # correct ring bond data
190: ok 3840 # correct ring bond data
190: ok 3841 # correct ring bond data
190: ok 3842 # correct ring bond data
190: ok 3843 # correct ring bond data
190: ok 3844 # correct ring bond data
190: ok 3845 # correct ring bond data
190: ok 3846 # correct ring bond data
190: ok 3847 # correct ring bond data
190: ok 3848 # correct ring bond data
190: ok 3849 # correct ring bond data
190: ok 3850 # correct ring bond data
190: ok 3851 # correct ring bond data
190: ok 3852 # correct ring bond data
190: ok 3853 # correct ring bond data
190: ok 3854 # correct ring bond data
190: ok 3855 # correct ring bond data
190: ok 3856 # correct ring bond data
190: ok 3857 # correct ring bond data
190: ok 3858 # correct ring bond data
190: ok 3859 # correct ring bond data
190: ok 3860 # correct ring bond data
190: ok 3861 # correct ring bond data
190: ok 3862 # correct ring bond data
190: ok 3863 # SSSR size matches reference
190: ok 3864 # correct SSSR count
190: ok 3865 # ring membership passed
190: ok 3866 # correct SSSR count
190: ok 3867 # ring membership passed
190: ok 3868 # correct SSSR count
190: ok 3869 # ring membership passed
190: ok 3870 # correct SSSR count
190: ok 3871 # ring membership passed
190: ok 3872 # correct SSSR count
190: ok 3873 # ring membership passed
190: ok 3874 # correct SSSR count
190: ok 3875 # ring membership passed
190: ok 3876 # correct SSSR count
190: ok 3877 # ring membership passed
190: ok 3878 # correct SSSR count
190: ok 3879 # ring membership passed
190: ok 3880 # correct SSSR count
190: ok 3881 # ring membership passed
190: ok 3882 # correct SSSR count
190: ok 3883 # ring membership passed
190: ok 3884 # correct SSSR count
190: ok 3885 # ring membership passed
190: ok 3886 # correct SSSR count
190: ok 3887 # ring membership passed
190: ok 3888 # correct SSSR count
190: ok 3889 # ring membership passed
190: ok 3890 # correct SSSR count
190: ok 3891 # ring membership passed
190: ok 3892 # correct SSSR count
190: ok 3893 # ring membership passed
190: ok 3894 # correct SSSR count
190: ok 3895 # ring membership passed
190: ok 3896 # correct SSSR count
190: ok 3897 # ring membership passed
190: ok 3898 # correct SSSR count
190: ok 3899 # ring membership passed
190: ok 3900 # correct SSSR count
190: ok 3901 # ring membership passed
190: ok 3902 # correct SSSR count
190: ok 3903 # ring membership passed
190: ok 3904 # correct SSSR count
190: ok 3905 # ring membership passed
190: ok 3906 # correct SSSR count
190: ok 3907 # ring membership passed
190: ok 3908 # correct ring bond data
190: ok 3909 # correct ring bond data
190: ok 3910 # correct ring bond data
190: ok 3911 # correct ring bond data
190: ok 3912 # correct ring bond data
190: ok 3913 # correct ring bond data
190: ok 3914 # correct ring bond data
190: ok 3915 # correct ring bond data
190: ok 3916 # correct ring bond data
190: ok 3917 # correct ring bond data
190: ok 3918 # correct ring bond data
190: ok 3919 # correct ring bond data
190: ok 3920 # correct ring bond data
190: ok 3921 # correct ring bond data
190: ok 3922 # correct ring bond data
190: ok 3923 # correct ring bond data
190: ok 3924 # correct ring bond data
190: ok 3925 # correct ring bond data
190: ok 3926 # correct ring bond data
190: ok 3927 # correct ring bond data
190: ok 3928 # correct ring bond data
190: ok 3929 # correct ring bond data
190: ok 3930 # correct ring bond data
190: ok 3931 # SSSR size matches reference
190: ok 3932 # correct SSSR count
190: ok 3933 # ring membership passed
190: ok 3934 # correct SSSR count
190: ok 3935 # ring membership passed
190: ok 3936 # correct SSSR count
190: ok 3937 # ring membership passed
190: ok 3938 # correct SSSR count
190: ok 3939 # ring membership passed
190: ok 3940 # correct SSSR count
190: ok 3941 # ring membership passed
190: ok 3942 # correct SSSR count
190: ok 3943 # ring membership passed
190: ok 3944 # correct SSSR count
190: ok 3945 # ring membership passed
190: ok 3946 # correct SSSR count
190: ok 3947 # ring membership passed
190: ok 3948 # correct SSSR count
190: ok 3949 # ring membership passed
190: ok 3950 # correct SSSR count
190: ok 3951 # ring membership passed
190: ok 3952 # correct SSSR count
190: ok 3953 # ring membership passed
190: ok 3954 # correct SSSR count
190: ok 3955 # ring membership passed
190: ok 3956 # correct SSSR count
190: ok 3957 # ring membership passed
190: ok 3958 # correct SSSR count
190: ok 3959 # ring membership passed
190: ok 3960 # correct SSSR count
190: ok 3961 # ring membership passed
190: ok 3962 # correct SSSR count
190: ok 3963 # ring membership passed
190: ok 3964 # correct SSSR count
190: ok 3965 # ring membership passed
190: ok 3966 # correct SSSR count
190: ok 3967 # ring membership passed
190: ok 3968 # correct SSSR count
190: ok 3969 # ring membership passed
190: ok 3970 # correct SSSR count
190: ok 3971 # ring membership passed
190: ok 3972 # correct SSSR count
190: ok 3973 # ring membership passed
190: ok 3974 # correct ring bond data
190: ok 3975 # correct ring bond data
190: ok 3976 # correct ring bond data
190: ok 3977 # correct ring bond data
190: ok 3978 # correct ring bond data
190: ok 3979 # correct ring bond data
190: ok 3980 # correct ring bond data
190: ok 3981 # correct ring bond data
190: ok 3982 # correct ring bond data
190: ok 3983 # correct ring bond data
190: ok 3984 # correct ring bond data
190: ok 3985 # correct ring bond data
190: ok 3986 # correct ring bond data
190: ok 3987 # SSSR size matches reference
190: ok 3988 # correct SSSR count
190: ok 3989 # ring membership passed
190: ok 3990 # correct SSSR count
190: ok 3991 # ring membership passed
190: ok 3992 # correct SSSR count
190: ok 3993 # ring membership passed
190: ok 3994 # correct SSSR count
190: ok 3995 # ring membership passed
190: ok 3996 # correct SSSR count
190: ok 3997 # ring membership passed
190: ok 3998 # correct SSSR count
190: ok 3999 # ring membership passed
190: ok 4000 # correct SSSR count
190: ok 4001 # ring membership passed
190: ok 4002 # correct SSSR count
190: ok 4003 # ring membership passed
190: ok 4004 # correct SSSR count
190: ok 4005 # ring membership passed
190: ok 4006 # correct SSSR count
190: ok 4007 # ring membership passed
190: ok 4008 # correct SSSR count
190: ok 4009 # ring membership passed
190: ok 4010 # correct SSSR count
190: ok 4011 # ring membership passed
190: ok 4012 # correct SSSR count
190: ok 4013 # ring membership passed
190: ok 4014 # correct ring bond data
190: ok 4015 # correct ring bond data
190: ok 4016 # correct ring bond data
190: ok 4017 # correct ring bond data
190: ok 4018 # correct ring bond data
190: ok 4019 # correct ring bond data
190: ok 4020 # correct ring bond data
190: ok 4021 # correct ring bond data
190: ok 4022 # correct ring bond data
190: ok 4023 # correct ring bond data
190: ok 4024 # correct ring bond data
190: ok 4025 # correct ring bond data
190: ok 4026 # correct ring bond data
190: ok 4027 # correct ring bond data
190: ok 4028 # correct ring bond data
190: ok 4029 # correct ring bond data
190: ok 4030 # correct ring bond data
190: ok 4031 # correct ring bond data
190: ok 4032 # correct ring bond data
190: ok 4033 # correct ring bond data
190: ok 4034 # correct ring bond data
190: ok 4035 # correct ring bond data
190: ok 4036 # correct ring bond data
190: ok 4037 # SSSR size matches reference
190: ok 4038 # correct SSSR count
190: ok 4039 # ring membership passed
190: ok 4040 # correct SSSR count
190: ok 4041 # ring membership passed
190: ok 4042 # correct SSSR count
190: ok 4043 # ring membership passed
190: ok 4044 # correct SSSR count
190: ok 4045 # ring membership passed
190: ok 4046 # correct SSSR count
190: ok 4047 # ring membership passed
190: ok 4048 # correct SSSR count
190: ok 4049 # ring membership passed
190: ok 4050 # correct SSSR count
190: ok 4051 # ring membership passed
190: ok 4052 # correct SSSR count
190: ok 4053 # ring membership passed
190: ok 4054 # correct SSSR count
190: ok 4055 # ring membership passed
190: ok 4056 # correct SSSR count
190: ok 4057 # ring membership passed
190: ok 4058 # correct SSSR count
190: ok 4059 # ring membership passed
190: ok 4060 # correct SSSR count
190: ok 4061 # ring membership passed
190: ok 4062 # correct SSSR count
190: ok 4063 # ring membership passed
190: ok 4064 # correct SSSR count
190: ok 4065 # ring membership passed
190: ok 4066 # correct SSSR count
190: ok 4067 # ring membership passed
190: ok 4068 # correct SSSR count
190: ok 4069 # ring membership passed
190: ok 4070 # correct SSSR count
190: ok 4071 # ring membership passed
190: ok 4072 # correct SSSR count
190: ok 4073 # ring membership passed
190: ok 4074 # correct SSSR count
190: ok 4075 # ring membership passed
190: ok 4076 # correct SSSR count
190: ok 4077 # ring membership passed
190: ok 4078 # correct SSSR count
190: ok 4079 # ring membership passed
190: ok 4080 # correct ring bond data
190: ok 4081 # correct ring bond data
190: ok 4082 # correct ring bond data
190: ok 4083 # correct ring bond data
190: ok 4084 # correct ring bond data
190: ok 4085 # correct ring bond data
190: ok 4086 # correct ring bond data
190: ok 4087 # correct ring bond data
190: ok 4088 # correct ring bond data
190: ok 4089 # correct ring bond data
190: ok 4090 # correct ring bond data
190: ok 4091 # correct ring bond data
190: ok 4092 # correct ring bond data
190: ok 4093 # correct ring bond data
190: ok 4094 # correct ring bond data
190: ok 4095 # correct ring bond data
190: ok 4096 # correct ring bond data
190: ok 4097 # SSSR size matches reference
190: ok 4098 # correct SSSR count
190: ok 4099 # ring membership passed
190: ok 4100 # correct SSSR count
190: ok 4101 # ring membership passed
190: ok 4102 # correct SSSR count
190: ok 4103 # ring membership passed
190: ok 4104 # correct SSSR count
190: ok 4105 # ring membership passed
190: ok 4106 # correct SSSR count
190: ok 4107 # ring membership passed
190: ok 4108 # correct SSSR count
190: ok 4109 # ring membership passed
190: ok 4110 # correct SSSR count
190: ok 4111 # ring membership passed
190: ok 4112 # correct SSSR count
190: ok 4113 # ring membership passed
190: ok 4114 # correct SSSR count
190: ok 4115 # ring membership passed
190: ok 4116 # correct SSSR count
190: ok 4117 # ring membership passed
190: ok 4118 # correct SSSR count
190: ok 4119 # ring membership passed
190: ok 4120 # correct SSSR count
190: ok 4121 # ring membership passed
190: ok 4122 # correct SSSR count
190: ok 4123 # ring membership passed
190: ok 4124 # correct SSSR count
190: ok 4125 # ring membership passed
190: ok 4126 # correct SSSR count
190: ok 4127 # ring membership passed
190: ok 4128 # correct SSSR count
190: ok 4129 # ring membership passed
190: ok 4130 # correct ring bond data
190: ok 4131 # correct ring bond data
190: ok 4132 # correct ring bond data
190: ok 4133 # correct ring bond data
190: ok 4134 # correct ring bond data
190: ok 4135 # correct ring bond data
190: ok 4136 # correct ring bond data
190: ok 4137 # correct ring bond data
190: ok 4138 # correct ring bond data
190: ok 4139 # correct ring bond data
190: ok 4140 # correct ring bond data
190: ok 4141 # correct ring bond data
190: ok 4142 # correct ring bond data
190: ok 4143 # correct ring bond data
190: ok 4144 # correct ring bond data
190: ok 4145 # correct ring bond data
190: ok 4146 # correct ring bond data
190: ok 4147 # correct ring bond data
190: ok 4148 # correct ring bond data
190: ok 4149 # correct ring bond data
190: ok 4150 # correct ring bond data
190: ok 4151 # correct ring bond data
190: ok 4152 # correct ring bond data
190: ok 4153 # correct ring bond data
190: ok 4154 # SSSR size matches reference
190: ok 4155 # correct SSSR count
190: ok 4156 # ring membership passed
190: ok 4157 # correct SSSR count
190: ok 4158 # ring membership passed
190: ok 4159 # correct SSSR count
190: ok 4160 # ring membership passed
190: ok 4161 # correct SSSR count
190: ok 4162 # ring membership passed
190: ok 4163 # correct SSSR count
190: ok 4164 # ring membership passed
190: ok 4165 # correct SSSR count
190: ok 4166 # ring membership passed
190: ok 4167 # correct SSSR count
190: ok 4168 # ring membership passed
190: ok 4169 # correct SSSR count
190: ok 4170 # ring membership passed
190: ok 4171 # correct SSSR count
190: ok 4172 # ring membership passed
190: ok 4173 # correct SSSR count
190: ok 4174 # ring membership passed
190: ok 4175 # correct SSSR count
190: ok 4176 # ring membership passed
190: ok 4177 # correct SSSR count
190: ok 4178 # ring membership passed
190: ok 4179 # correct SSSR count
190: ok 4180 # ring membership passed
190: ok 4181 # correct SSSR count
190: ok 4182 # ring membership passed
190: ok 4183 # correct SSSR count
190: ok 4184 # ring membership passed
190: ok 4185 # correct SSSR count
190: ok 4186 # ring membership passed
190: ok 4187 # correct SSSR count
190: ok 4188 # ring membership passed
190: ok 4189 # correct SSSR count
190: ok 4190 # ring membership passed
190: ok 4191 # correct SSSR count
190: ok 4192 # ring membership passed
190: ok 4193 # correct SSSR count
190: ok 4194 # ring membership passed
190: ok 4195 # correct SSSR count
190: ok 4196 # ring membership passed
190: ok 4197 # correct SSSR count
190: ok 4198 # ring membership passed
190: ok 4199 # correct ring bond data
190: ok 4200 # correct ring bond data
190: ok 4201 # correct ring bond data
190: ok 4202 # correct ring bond data
190: ok 4203 # correct ring bond data
190: ok 4204 # correct ring bond data
190: ok 4205 # correct ring bond data
190: ok 4206 # correct ring bond data
190: ok 4207 # correct ring bond data
190: ok 4208 # correct ring bond data
190: ok 4209 # correct ring bond data
190: ok 4210 # correct ring bond data
190: ok 4211 # correct ring bond data
190: ok 4212 # correct ring bond data
190: ok 4213 # correct ring bond data
190: ok 4214 # correct ring bond data
190: ok 4215 # correct ring bond data
190: ok 4216 # SSSR size matches reference
190: ok 4217 # correct SSSR count
190: ok 4218 # ring membership passed
190: ok 4219 # correct SSSR count
190: ok 4220 # ring membership passed
190: ok 4221 # correct SSSR count
190: ok 4222 # ring membership passed
190: ok 4223 # correct SSSR count
190: ok 4224 # ring membership passed
190: ok 4225 # correct SSSR count
190: ok 4226 # ring membership passed
190: ok 4227 # correct SSSR count
190: ok 4228 # ring membership passed
190: ok 4229 # correct SSSR count
190: ok 4230 # ring membership passed
190: ok 4231 # correct SSSR count
190: ok 4232 # ring membership passed
190: ok 4233 # correct SSSR count
190: ok 4234 # ring membership passed
190: ok 4235 # correct SSSR count
190: ok 4236 # ring membership passed
190: ok 4237 # correct SSSR count
190: ok 4238 # ring membership passed
190: ok 4239 # correct SSSR count
190: ok 4240 # ring membership passed
190: ok 4241 # correct SSSR count
190: ok 4242 # ring membership passed
190: ok 4243 # correct SSSR count
190: ok 4244 # ring membership passed
190: ok 4245 # correct SSSR count
190: ok 4246 # ring membership passed
190: ok 4247 # correct SSSR count
190: ok 4248 # ring membership passed
190: ok 4249 # correct ring bond data
190: ok 4250 # correct ring bond data
190: ok 4251 # correct ring bond data
190: ok 4252 # correct ring bond data
190: ok 4253 # correct ring bond data
190: ok 4254 # correct ring bond data
190: ok 4255 # correct ring bond data
190: ok 4256 # correct ring bond data
190: ok 4257 # correct ring bond data
190: ok 4258 # correct ring bond data
190: ok 4259 # correct ring bond data
190: ok 4260 # correct ring bond data
190: ok 4261 # correct ring bond data
190: ok 4262 # correct ring bond data
190: ok 4263 # correct ring bond data
190: ok 4264 # correct ring bond data
190: ok 4265 # correct ring bond data
190: ok 4266 # correct ring bond data
190: ok 4267 # SSSR size matches reference
190: ok 4268 # correct SSSR count
190: ok 4269 # ring membership passed
190: ok 4270 # correct SSSR count
190: ok 4271 # ring membership passed
190: ok 4272 # correct SSSR count
190: ok 4273 # ring membership passed
190: ok 4274 # correct SSSR count
190: ok 4275 # ring membership passed
190: ok 4276 # correct SSSR count
190: ok 4277 # ring membership passed
190: ok 4278 # correct SSSR count
190: ok 4279 # ring membership passed
190: ok 4280 # correct SSSR count
190: ok 4281 # ring membership passed
190: ok 4282 # correct SSSR count
190: ok 4283 # ring membership passed
190: ok 4284 # correct SSSR count
190: ok 4285 # ring membership passed
190: ok 4286 # correct SSSR count
190: ok 4287 # ring membership passed
190: ok 4288 # correct SSSR count
190: ok 4289 # ring membership passed
190: ok 4290 # correct SSSR count
190: ok 4291 # ring membership passed
190: ok 4292 # correct SSSR count
190: ok 4293 # ring membership passed
190: ok 4294 # correct SSSR count
190: ok 4295 # ring membership passed
190: ok 4296 # correct SSSR count
190: ok 4297 # ring membership passed
190: ok 4298 # correct SSSR count
190: ok 4299 # ring membership passed
190: ok 4300 # correct SSSR count
190: ok 4301 # ring membership passed
190: ok 4302 # correct ring bond data
190: ok 4303 # correct ring bond data
190: ok 4304 # correct ring bond data
190: ok 4305 # correct ring bond data
190: ok 4306 # correct ring bond data
190: ok 4307 # correct ring bond data
190: ok 4308 # correct ring bond data
190: ok 4309 # correct ring bond data
190: ok 4310 # correct ring bond data
190: ok 4311 # correct ring bond data
190: ok 4312 # correct ring bond data
190: ok 4313 # correct ring bond data
190: ok 4314 # correct ring bond data
190: ok 4315 # correct ring bond data
190: ok 4316 # correct ring bond data
190: ok 4317 # correct ring bond data
190: ok 4318 # correct ring bond data
190: ok 4319 # correct ring bond data
190: ok 4320 # correct ring bond data
190: ok 4321 # SSSR size matches reference
190: ok 4322 # correct SSSR count
190: ok 4323 # ring membership passed
190: ok 4324 # correct SSSR count
190: ok 4325 # ring membership passed
190: ok 4326 # correct SSSR count
190: ok 4327 # ring membership passed
190: ok 4328 # correct SSSR count
190: ok 4329 # ring membership passed
190: ok 4330 # correct SSSR count
190: ok 4331 # ring membership passed
190: ok 4332 # correct SSSR count
190: ok 4333 # ring membership passed
190: ok 4334 # correct SSSR count
190: ok 4335 # ring membership passed
190: ok 4336 # correct SSSR count
190: ok 4337 # ring membership passed
190: ok 4338 # correct SSSR count
190: ok 4339 # ring membership passed
190: ok 4340 # correct SSSR count
190: ok 4341 # ring membership passed
190: ok 4342 # correct SSSR count
190: ok 4343 # ring membership passed
190: ok 4344 # correct SSSR count
190: ok 4345 # ring membership passed
190: ok 4346 # correct SSSR count
190: ok 4347 # ring membership passed
190: ok 4348 # correct SSSR count
190: ok 4349 # ring membership passed
190: ok 4350 # correct SSSR count
190: ok 4351 # ring membership passed
190: ok 4352 # correct SSSR count
190: ok 4353 # ring membership passed
190: ok 4354 # correct SSSR count
190: ok 4355 # ring membership passed
190: ok 4356 # correct SSSR count
190: ok 4357 # ring membership passed
190: ok 4358 # correct ring bond data
190: ok 4359 # correct ring bond data
190: ok 4360 # correct ring bond data
190: ok 4361 # correct ring bond data
190: ok 4362 # correct ring bond data
190: ok 4363 # correct ring bond data
190: ok 4364 # correct ring bond data
190: ok 4365 # correct ring bond data
190: ok 4366 # correct ring bond data
190: ok 4367 # correct ring bond data
190: ok 4368 # correct ring bond data
190: ok 4369 # correct ring bond data
190: ok 4370 # correct ring bond data
190: ok 4371 # correct ring bond data
190: ok 4372 # correct ring bond data
190: ok 4373 # correct ring bond data
190: ok 4374 # correct ring bond data
190: ok 4375 # correct ring bond data
190: ok 4376 # correct ring bond data
190: ok 4377 # correct ring bond data
190: ok 4378 # SSSR size matches reference
190: ok 4379 # correct SSSR count
190: ok 4380 # ring membership passed
190: ok 4381 # correct SSSR count
190: ok 4382 # ring membership passed
190: ok 4383 # correct SSSR count
190: ok 4384 # ring membership passed
190: ok 4385 # correct SSSR count
190: ok 4386 # ring membership passed
190: ok 4387 # correct SSSR count
190: ok 4388 # ring membership passed
190: ok 4389 # correct SSSR count
190: ok 4390 # ring membership passed
190: ok 4391 # correct SSSR count
190: ok 4392 # ring membership passed
190: ok 4393 # correct SSSR count
190: ok 4394 # ring membership passed
190: ok 4395 # correct SSSR count
190: ok 4396 # ring membership passed
190: ok 4397 # correct SSSR count
190: ok 4398 # ring membership passed
190: ok 4399 # correct SSSR count
190: ok 4400 # ring membership passed
190: ok 4401 # correct SSSR count
190: ok 4402 # ring membership passed
190: ok 4403 # correct SSSR count
190: ok 4404 # ring membership passed
190: ok 4405 # correct SSSR count
190: ok 4406 # ring membership passed
190: ok 4407 # correct SSSR count
190: ok 4408 # ring membership passed
190: ok 4409 # correct SSSR count
190: ok 4410 # ring membership passed
190: ok 4411 # correct SSSR count
190: ok 4412 # ring membership passed
190: ok 4413 # correct SSSR count
190: ok 4414 # ring membership passed
190: ok 4415 # correct SSSR count
190: ok 4416 # ring membership passed
190: ok 4417 # correct ring bond data
190: ok 4418 # correct ring bond data
190: ok 4419 # correct ring bond data
190: ok 4420 # correct ring bond data
190: ok 4421 # correct ring bond data
190: ok 4422 # correct ring bond data
190: ok 4423 # correct ring bond data
190: ok 4424 # correct ring bond data
190: ok 4425 # correct ring bond data
190: ok 4426 # correct ring bond data
190: ok 4427 # correct ring bond data
190: ok 4428 # correct ring bond data
190: ok 4429 # correct ring bond data
190: ok 4430 # correct ring bond data
190: ok 4431 # correct ring bond data
190: ok 4432 # correct ring bond data
190: ok 4433 # correct ring bond data
190: ok 4434 # correct ring bond data
190: ok 4435 # correct ring bond data
190: ok 4436 # correct ring bond data
190: ok 4437 # SSSR size matches reference
190: ok 4438 # correct SSSR count
190: ok 4439 # ring membership passed
190: ok 4440 # correct SSSR count
190: ok 4441 # ring membership passed
190: ok 4442 # correct SSSR count
190: ok 4443 # ring membership passed
190: ok 4444 # correct SSSR count
190: ok 4445 # ring membership passed
190: ok 4446 # correct SSSR count
190: ok 4447 # ring membership passed
190: ok 4448 # correct SSSR count
190: ok 4449 # ring membership passed
190: ok 4450 # correct SSSR count
190: ok 4451 # ring membership passed
190: ok 4452 # correct SSSR count
190: ok 4453 # ring membership passed
190: ok 4454 # correct SSSR count
190: ok 4455 # ring membership passed
190: ok 4456 # correct SSSR count
190: ok 4457 # ring membership passed
190: ok 4458 # correct SSSR count
190: ok 4459 # ring membership passed
190: ok 4460 # correct SSSR count
190: ok 4461 # ring membership passed
190: ok 4462 # correct SSSR count
190: ok 4463 # ring membership passed
190: ok 4464 # correct SSSR count
190: ok 4465 # ring membership passed
190: ok 4466 # correct SSSR count
190: ok 4467 # ring membership passed
190: ok 4468 # correct SSSR count
190: ok 4469 # ring membership passed
190: ok 4470 # correct SSSR count
190: ok 4471 # ring membership passed
190: ok 4472 # correct SSSR count
190: ok 4473 # ring membership passed
190: ok 4474 # correct SSSR count
190: ok 4475 # ring membership passed
190: ok 4476 # correct ring bond data
190: ok 4477 # correct ring bond data
190: ok 4478 # correct ring bond data
190: ok 4479 # correct ring bond data
190: ok 4480 # correct ring bond data
190: ok 4481 # correct ring bond data
190: ok 4482 # correct ring bond data
190: ok 4483 # correct ring bond data
190: ok 4484 # correct ring bond data
190: ok 4485 # correct ring bond data
190: ok 4486 # correct ring bond data
190: ok 4487 # correct ring bond data
190: ok 4488 # correct ring bond data
190: ok 4489 # correct ring bond data
190: ok 4490 # correct ring bond data
190: ok 4491 # correct ring bond data
190: ok 4492 # correct ring bond data
190: ok 4493 # correct ring bond data
190: ok 4494 # correct ring bond data
190: ok 4495 # correct ring bond data
190: ok 4496 # correct ring bond data
190: ok 4497 # SSSR size matches reference
190: ok 4498 # correct SSSR count
190: ok 4499 # ring membership passed
190: ok 4500 # correct SSSR count
190: ok 4501 # ring membership passed
190: ok 4502 # correct SSSR count
190: ok 4503 # ring membership passed
190: ok 4504 # correct SSSR count
190: ok 4505 # ring membership passed
190: ok 4506 # correct SSSR count
190: ok 4507 # ring membership passed
190: ok 4508 # correct SSSR count
190: ok 4509 # ring membership passed
190: ok 4510 # correct SSSR count
190: ok 4511 # ring membership passed
190: ok 4512 # correct SSSR count
190: ok 4513 # ring membership passed
190: ok 4514 # correct SSSR count
190: ok 4515 # ring membership passed
190: ok 4516 # correct SSSR count
190: ok 4517 # ring membership passed
190: ok 4518 # correct SSSR count
190: ok 4519 # ring membership passed
190: ok 4520 # correct SSSR count
190: ok 4521 # ring membership passed
190: ok 4522 # correct SSSR count
190: ok 4523 # ring membership passed
190: ok 4524 # correct SSSR count
190: ok 4525 # ring membership passed
190: ok 4526 # correct SSSR count
190: ok 4527 # ring membership passed
190: ok 4528 # correct SSSR count
190: ok 4529 # ring membership passed
190: ok 4530 # correct SSSR count
190: ok 4531 # ring membership passed
190: ok 4532 # correct SSSR count
190: ok 4533 # ring membership passed
190: ok 4534 # correct SSSR count
190: ok 4535 # ring membership passed
190: ok 4536 # correct SSSR count
190: ok 4537 # ring membership passed
190: ok 4538 # correct ring bond data
190: ok 4539 # correct ring bond data
190: ok 4540 # correct ring bond data
190: ok 4541 # correct ring bond data
190: ok 4542 # correct ring bond data
190: ok 4543 # correct ring bond data
190: ok 4544 # correct ring bond data
190: ok 4545 # correct ring bond data
190: ok 4546 # correct ring bond data
190: ok 4547 # correct ring bond data
190: ok 4548 # correct ring bond data
190: ok 4549 # correct ring bond data
190: ok 4550 # correct ring bond data
190: ok 4551 # correct ring bond data
190: ok 4552 # correct ring bond data
190: ok 4553 # correct ring bond data
190: ok 4554 # correct ring bond data
190: ok 4555 # correct ring bond data
190: ok 4556 # correct ring bond data
190: ok 4557 # correct ring bond data
190: ok 4558 # correct ring bond data
190: ok 4559 # SSSR size matches reference
190: ok 4560 # correct SSSR count
190: ok 4561 # ring membership passed
190: ok 4562 # correct SSSR count
190: ok 4563 # ring membership passed
190: ok 4564 # correct SSSR count
190: ok 4565 # ring membership passed
190: ok 4566 # correct SSSR count
190: ok 4567 # ring membership passed
190: ok 4568 # correct SSSR count
190: ok 4569 # ring membership passed
190: ok 4570 # correct SSSR count
190: ok 4571 # ring membership passed
190: ok 4572 # correct SSSR count
190: ok 4573 # ring membership passed
190: ok 4574 # correct SSSR count
190: ok 4575 # ring membership passed
190: ok 4576 # correct SSSR count
190: ok 4577 # ring membership passed
190: ok 4578 # correct SSSR count
190: ok 4579 # ring membership passed
190: ok 4580 # correct SSSR count
190: ok 4581 # ring membership passed
190: ok 4582 # correct SSSR count
190: ok 4583 # ring membership passed
190: ok 4584 # correct SSSR count
190: ok 4585 # ring membership passed
190: ok 4586 # correct SSSR count
190: ok 4587 # ring membership passed
190: ok 4588 # correct SSSR count
190: ok 4589 # ring membership passed
190: ok 4590 # correct SSSR count
190: ok 4591 # ring membership passed
190: ok 4592 # correct SSSR count
190: ok 4593 # ring membership passed
190: ok 4594 # correct SSSR count
190: ok 4595 # ring membership passed
190: ok 4596 # correct SSSR count
190: ok 4597 # ring membership passed
190: ok 4598 # correct SSSR count
190: ok 4599 # ring membership passed
190: ok 4600 # correct ring bond data
190: ok 4601 # correct ring bond data
190: ok 4602 # correct ring bond data
190: ok 4603 # correct ring bond data
190: ok 4604 # correct ring bond data
190: ok 4605 # correct ring bond data
190: ok 4606 # correct ring bond data
190: ok 4607 # correct ring bond data
190: ok 4608 # correct ring bond data
190: ok 4609 # correct ring bond data
190: ok 4610 # correct ring bond data
190: ok 4611 # correct ring bond data
190: ok 4612 # correct ring bond data
190: ok 4613 # correct ring bond data
190: ok 4614 # correct ring bond data
190: ok 4615 # correct ring bond data
190: ok 4616 # correct ring bond data
190: ok 4617 # correct ring bond data
190: ok 4618 # correct ring bond data
190: ok 4619 # correct ring bond data
190: ok 4620 # correct ring bond data
190: ok 4621 # SSSR size matches reference
190: ok 4622 # correct SSSR count
190: ok 4623 # ring membership passed
190: ok 4624 # correct SSSR count
190: ok 4625 # ring membership passed
190: ok 4626 # correct SSSR count
190: ok 4627 # ring membership passed
190: ok 4628 # correct SSSR count
190: ok 4629 # ring membership passed
190: ok 4630 # correct SSSR count
190: ok 4631 # ring membership passed
190: ok 4632 # correct SSSR count
190: ok 4633 # ring membership passed
190: ok 4634 # correct SSSR count
190: ok 4635 # ring membership passed
190: ok 4636 # correct SSSR count
190: ok 4637 # ring membership passed
190: ok 4638 # correct SSSR count
190: ok 4639 # ring membership passed
190: ok 4640 # correct SSSR count
190: ok 4641 # ring membership passed
190: ok 4642 # correct SSSR count
190: ok 4643 # ring membership passed
190: ok 4644 # correct SSSR count
190: ok 4645 # ring membership passed
190: ok 4646 # correct SSSR count
190: ok 4647 # ring membership passed
190: ok 4648 # correct SSSR count
190: ok 4649 # ring membership passed
190: ok 4650 # correct SSSR count
190: ok 4651 # ring membership passed
190: ok 4652 # correct SSSR count
190: ok 4653 # ring membership passed
190: ok 4654 # correct SSSR count
190: ok 4655 # ring membership passed
190: ok 4656 # correct SSSR count
190: ok 4657 # ring membership passed
190: ok 4658 # correct SSSR count
190: ok 4659 # ring membership passed
190: ok 4660 # correct SSSR count
190: ok 4661 # ring membership passed
190: ok 4662 # correct ring bond data
190: ok 4663 # correct ring bond data
190: ok 4664 # correct ring bond data
190: ok 4665 # correct ring bond data
190: ok 4666 # correct ring bond data
190: ok 4667 # correct ring bond data
190: ok 4668 # correct ring bond data
190: ok 4669 # correct ring bond data
190: ok 4670 # correct ring bond data
190: ok 4671 # correct ring bond data
190: ok 4672 # correct ring bond data
190: ok 4673 # correct ring bond data
190: ok 4674 # correct ring bond data
190: ok 4675 # correct ring bond data
190: ok 4676 # correct ring bond data
190: ok 4677 # SSSR size matches reference
190: ok 4678 # correct SSSR count
190: ok 4679 # ring membership passed
190: ok 4680 # correct SSSR count
190: ok 4681 # ring membership passed
190: ok 4682 # correct SSSR count
190: ok 4683 # ring membership passed
190: ok 4684 # correct SSSR count
190: ok 4685 # ring membership passed
190: ok 4686 # correct SSSR count
190: ok 4687 # ring membership passed
190: ok 4688 # correct SSSR count
190: ok 4689 # ring membership passed
190: ok 4690 # correct SSSR count
190: ok 4691 # ring membership passed
190: ok 4692 # correct SSSR count
190: ok 4693 # ring membership passed
190: ok 4694 # correct SSSR count
190: ok 4695 # ring membership passed
190: ok 4696 # correct SSSR count
190: ok 4697 # ring membership passed
190: ok 4698 # correct SSSR count
190: ok 4699 # ring membership passed
190: ok 4700 # correct SSSR count
190: ok 4701 # ring membership passed
190: ok 4702 # correct SSSR count
190: ok 4703 # ring membership passed
190: ok 4704 # correct SSSR count
190: ok 4705 # ring membership passed
190: ok 4706 # correct ring bond data
190: ok 4707 # correct ring bond data
190: ok 4708 # correct ring bond data
190: ok 4709 # correct ring bond data
190: ok 4710 # correct ring bond data
190: ok 4711 # correct ring bond data
190: ok 4712 # correct ring bond data
190: ok 4713 # correct ring bond data
190: ok 4714 # correct ring bond data
190: ok 4715 # correct ring bond data
190: ok 4716 # correct ring bond data
190: ok 4717 # correct ring bond data
190: ok 4718 # correct ring bond data
190: ok 4719 # correct ring bond data
190: ok 4720 # correct ring bond data
190: ok 4721 # correct ring bond data
190: ok 4722 # correct ring bond data
190: ok 4723 # correct ring bond data
190: ok 4724 # SSSR size matches reference
190: ok 4725 # correct SSSR count
190: ok 4726 # ring membership passed
190: ok 4727 # correct SSSR count
190: ok 4728 # ring membership passed
190: ok 4729 # correct SSSR count
190: ok 4730 # ring membership passed
190: ok 4731 # correct SSSR count
190: ok 4732 # ring membership passed
190: ok 4733 # correct SSSR count
190: ok 4734 # ring membership passed
190: ok 4735 # correct SSSR count
190: ok 4736 # ring membership passed
190: ok 4737 # correct SSSR count
190: ok 4738 # ring membership passed
190: ok 4739 # correct SSSR count
190: ok 4740 # ring membership passed
190: ok 4741 # correct SSSR count
190: ok 4742 # ring membership passed
190: ok 4743 # correct SSSR count
190: ok 4744 # ring membership passed
190: ok 4745 # correct SSSR count
190: ok 4746 # ring membership passed
190: ok 4747 # correct SSSR count
190: ok 4748 # ring membership passed
190: ok 4749 # correct SSSR count
190: ok 4750 # ring membership passed
190: ok 4751 # correct SSSR count
190: ok 4752 # ring membership passed
190: ok 4753 # correct SSSR count
190: ok 4754 # ring membership passed
190: ok 4755 # correct SSSR count
190: ok 4756 # ring membership passed
190: ok 4757 # correct SSSR count
190: ok 4758 # ring membership passed
190: ok 4759 # correct ring bond data
190: ok 4760 # correct ring bond data
190: ok 4761 # correct ring bond data
190: ok 4762 # correct ring bond data
190: ok 4763 # correct ring bond data
190: ok 4764 # correct ring bond data
190: ok 4765 # correct ring bond data
190: ok 4766 # correct ring bond data
190: ok 4767 # correct ring bond data
190: ok 4768 # correct ring bond data
190: ok 4769 # correct ring bond data
190: ok 4770 # correct ring bond data
190: ok 4771 # correct ring bond data
190: ok 4772 # correct ring bond data
190: ok 4773 # correct ring bond data
190: ok 4774 # correct ring bond data
190: ok 4775 # correct ring bond data
190: ok 4776 # correct ring bond data
190: ok 4777 # SSSR size matches reference
190: ok 4778 # correct SSSR count
190: ok 4779 # ring membership passed
190: ok 4780 # correct SSSR count
190: ok 4781 # ring membership passed
190: ok 4782 # correct SSSR count
190: ok 4783 # ring membership passed
190: ok 4784 # correct SSSR count
190: ok 4785 # ring membership passed
190: ok 4786 # correct SSSR count
190: ok 4787 # ring membership passed
190: ok 4788 # correct SSSR count
190: ok 4789 # ring membership passed
190: ok 4790 # correct SSSR count
190: ok 4791 # ring membership passed
190: ok 4792 # correct SSSR count
190: ok 4793 # ring membership passed
190: ok 4794 # correct SSSR count
190: ok 4795 # ring membership passed
190: ok 4796 # correct SSSR count
190: ok 4797 # ring membership passed
190: ok 4798 # correct SSSR count
190: ok 4799 # ring membership passed
190: ok 4800 # correct SSSR count
190: ok 4801 # ring membership passed
190: ok 4802 # correct SSSR count
190: ok 4803 # ring membership passed
190: ok 4804 # correct SSSR count
190: ok 4805 # ring membership passed
190: ok 4806 # correct SSSR count
190: ok 4807 # ring membership passed
190: ok 4808 # correct SSSR count
190: ok 4809 # ring membership passed
190: ok 4810 # correct SSSR count
190: ok 4811 # ring membership passed
190: ok 4812 # correct ring bond data
190: ok 4813 # correct ring bond data
190: ok 4814 # correct ring bond data
190: ok 4815 # correct ring bond data
190: ok 4816 # correct ring bond data
190: ok 4817 # correct ring bond data
190: ok 4818 # correct ring bond data
190: ok 4819 # correct ring bond data
190: ok 4820 # correct ring bond data
190: ok 4821 # correct ring bond data
190: ok 4822 # correct ring bond data
190: ok 4823 # correct ring bond data
190: ok 4824 # correct ring bond data
190: ok 4825 # correct ring bond data
190: ok 4826 # correct ring bond data
190: ok 4827 # correct ring bond data
190: ok 4828 # correct ring bond data
190: ok 4829 # correct ring bond data
190: ok 4830 # correct ring bond data
190: ok 4831 # correct ring bond data
190: ok 4832 # SSSR size matches reference
190: ok 4833 # correct SSSR count
190: ok 4834 # ring membership passed
190: ok 4835 # correct SSSR count
190: ok 4836 # ring membership passed
190: ok 4837 # correct SSSR count
190: ok 4838 # ring membership passed
190: ok 4839 # correct SSSR count
190: ok 4840 # ring membership passed
190: ok 4841 # correct SSSR count
190: ok 4842 # ring membership passed
190: ok 4843 # correct SSSR count
190: ok 4844 # ring membership passed
190: ok 4845 # correct SSSR count
190: ok 4846 # ring membership passed
190: ok 4847 # correct SSSR count
190: ok 4848 # ring membership passed
190: ok 4849 # correct SSSR count
190: ok 4850 # ring membership passed
190: ok 4851 # correct SSSR count
190: ok 4852 # ring membership passed
190: ok 4853 # correct SSSR count
190: ok 4854 # ring membership passed
190: ok 4855 # correct SSSR count
190: ok 4856 # ring membership passed
190: ok 4857 # correct SSSR count
190: ok 4858 # ring membership passed
190: ok 4859 # correct SSSR count
190: ok 4860 # ring membership passed
190: ok 4861 # correct SSSR count
190: ok 4862 # ring membership passed
190: ok 4863 # correct SSSR count
190: ok 4864 # ring membership passed
190: ok 4865 # correct SSSR count
190: ok 4866 # ring membership passed
190: ok 4867 # correct SSSR count
190: ok 4868 # ring membership passed
190: ok 4869 # correct SSSR count
190: ok 4870 # ring membership passed
190: ok 4871 # correct ring bond data
190: ok 4872 # correct ring bond data
190: ok 4873 # correct ring bond data
190: ok 4874 # correct ring bond data
190: ok 4875 # correct ring bond data
190: ok 4876 # correct ring bond data
190: ok 4877 # correct ring bond data
190: ok 4878 # correct ring bond data
190: ok 4879 # correct ring bond data
190: ok 4880 # correct ring bond data
190: ok 4881 # correct ring bond data
190: ok 4882 # correct ring bond data
190: ok 4883 # correct ring bond data
190: ok 4884 # correct ring bond data
190: ok 4885 # correct ring bond data
190: ok 4886 # correct ring bond data
190: ok 4887 # correct ring bond data
190: ok 4888 # correct ring bond data
190: ok 4889 # correct ring bond data
190: ok 4890 # correct ring bond data
190: ok 4891 # correct ring bond data
190: ok 4892 # SSSR size matches reference
190: ok 4893 # correct SSSR count
190: ok 4894 # ring membership passed
190: ok 4895 # correct SSSR count
190: ok 4896 # ring membership passed
190: ok 4897 # correct SSSR count
190: ok 4898 # ring membership passed
190: ok 4899 # correct SSSR count
190: ok 4900 # ring membership passed
190: ok 4901 # correct SSSR count
190: ok 4902 # ring membership passed
190: ok 4903 # correct SSSR count
190: ok 4904 # ring membership passed
190: ok 4905 # correct SSSR count
190: ok 4906 # ring membership passed
190: ok 4907 # correct SSSR count
190: ok 4908 # ring membership passed
190: ok 4909 # correct SSSR count
190: ok 4910 # ring membership passed
190: ok 4911 # correct SSSR count
190: ok 4912 # ring membership passed
190: ok 4913 # correct SSSR count
190: ok 4914 # ring membership passed
190: ok 4915 # correct SSSR count
190: ok 4916 # ring membership passed
190: ok 4917 # correct SSSR count
190: ok 4918 # ring membership passed
190: ok 4919 # correct SSSR count
190: ok 4920 # ring membership passed
190: ok 4921 # correct SSSR count
190: ok 4922 # ring membership passed
190: ok 4923 # correct SSSR count
190: ok 4924 # ring membership passed
190: ok 4925 # correct SSSR count
190: ok 4926 # ring membership passed
190: ok 4927 # correct SSSR count
190: ok 4928 # ring membership passed
190: ok 4929 # correct SSSR count
190: ok 4930 # ring membership passed
190: ok 4931 # correct SSSR count
190: ok 4932 # ring membership passed
190: ok 4933 # correct ring bond data
190: ok 4934 # correct ring bond data
190: ok 4935 # correct ring bond data
190: ok 4936 # correct ring bond data
190: ok 4937 # correct ring bond data
190: ok 4938 # correct ring bond data
190: ok 4939 # correct ring bond data
190: ok 4940 # correct ring bond data
190: ok 4941 # correct ring bond data
190: ok 4942 # correct ring bond data
190: ok 4943 # correct ring bond data
190: ok 4944 # correct ring bond data
190: ok 4945 # correct ring bond data
190: ok 4946 # correct ring bond data
190: ok 4947 # correct ring bond data
190: ok 4948 # correct ring bond data
190: ok 4949 # correct ring bond data
190: ok 4950 # correct ring bond data
190: ok 4951 # correct ring bond data
190: ok 4952 # SSSR size matches reference
190: ok 4953 # correct SSSR count
190: ok 4954 # ring membership passed
190: ok 4955 # correct SSSR count
190: ok 4956 # ring membership passed
190: ok 4957 # correct SSSR count
190: ok 4958 # ring membership passed
190: ok 4959 # correct SSSR count
190: ok 4960 # ring membership passed
190: ok 4961 # correct SSSR count
190: ok 4962 # ring membership passed
190: ok 4963 # correct SSSR count
190: ok 4964 # ring membership passed
190: ok 4965 # correct SSSR count
190: ok 4966 # ring membership passed
190: ok 4967 # correct SSSR count
190: ok 4968 # ring membership passed
190: ok 4969 # correct SSSR count
190: ok 4970 # ring membership passed
190: ok 4971 # correct SSSR count
190: ok 4972 # ring membership passed
190: ok 4973 # correct SSSR count
190: ok 4974 # ring membership passed
190: ok 4975 # correct SSSR count
190: ok 4976 # ring membership passed
190: ok 4977 # correct SSSR count
190: ok 4978 # ring membership passed
190: ok 4979 # correct SSSR count
190: ok 4980 # ring membership passed
190: ok 4981 # correct SSSR count
190: ok 4982 # ring membership passed
190: ok 4983 # correct SSSR count
190: ok 4984 # ring membership passed
190: ok 4985 # correct SSSR count
190: ok 4986 # ring membership passed
190: ok 4987 # correct SSSR count
190: ok 4988 # ring membership passed
190: ok 4989 # correct ring bond data
190: ok 4990 # correct ring bond data
190: ok 4991 # correct ring bond data
190: ok 4992 # correct ring bond data
190: ok 4993 # correct ring bond data
190: ok 4994 # correct ring bond data
190: ok 4995 # correct ring bond data
190: ok 4996 # correct ring bond data
190: ok 4997 # correct ring bond data
190: ok 4998 # correct ring bond data
190: ok 4999 # correct ring bond data
190: ok 5000 # correct ring bond data
190: ok 5001 # correct ring bond data
190: ok 5002 # correct ring bond data
190: ok 5003 # correct ring bond data
190: ok 5004 # correct ring bond data
190: ok 5005 # correct ring bond data
190: ok 5006 # correct ring bond data
190: ok 5007 # correct ring bond data
190: ok 5008 # SSSR size matches reference
190: ok 5009 # correct SSSR count
190: ok 5010 # ring membership passed
190: ok 5011 # correct SSSR count
190: ok 5012 # ring membership passed
190: ok 5013 # correct SSSR count
190: ok 5014 # ring membership passed
190: ok 5015 # correct SSSR count
190: ok 5016 # ring membership passed
190: ok 5017 # correct SSSR count
190: ok 5018 # ring membership passed
190: ok 5019 # correct SSSR count
190: ok 5020 # ring membership passed
190: ok 5021 # correct SSSR count
190: ok 5022 # ring membership passed
190: ok 5023 # correct SSSR count
190: ok 5024 # ring membership passed
190: ok 5025 # correct SSSR count
190: ok 5026 # ring membership passed
190: ok 5027 # correct SSSR count
190: ok 5028 # ring membership passed
190: ok 5029 # correct SSSR count
190: ok 5030 # ring membership passed
190: ok 5031 # correct SSSR count
190: ok 5032 # ring membership passed
190: ok 5033 # correct SSSR count
190: ok 5034 # ring membership passed
190: ok 5035 # correct SSSR count
190: ok 5036 # ring membership passed
190: ok 5037 # correct SSSR count
190: ok 5038 # ring membership passed
190: ok 5039 # correct SSSR count
190: ok 5040 # ring membership passed
190: ok 5041 # correct SSSR count
190: ok 5042 # ring membership passed
190: ok 5043 # correct SSSR count
190: ok 5044 # ring membership passed
190: ok 5045 # correct ring bond data
190: ok 5046 # correct ring bond data
190: ok 5047 # correct ring bond data
190: ok 5048 # correct ring bond data
190: ok 5049 # correct ring bond data
190: ok 5050 # correct ring bond data
190: ok 5051 # correct ring bond data
190: ok 5052 # correct ring bond data
190: ok 5053 # correct ring bond data
190: ok 5054 # correct ring bond data
190: ok 5055 # correct ring bond data
190: ok 5056 # correct ring bond data
190: ok 5057 # correct ring bond data
190: ok 5058 # correct ring bond data
190: ok 5059 # correct ring bond data
190: ok 5060 # correct ring bond data
190: ok 5061 # correct ring bond data
190: ok 5062 # correct ring bond data
190: ok 5063 # correct ring bond data
190: ok 5064 # correct ring bond data
190: ok 5065 # SSSR size matches reference
190: ok 5066 # correct SSSR count
190: ok 5067 # ring membership passed
190: ok 5068 # correct SSSR count
190: ok 5069 # ring membership passed
190: ok 5070 # correct SSSR count
190: ok 5071 # ring membership passed
190: ok 5072 # correct SSSR count
190: ok 5073 # ring membership passed
190: ok 5074 # correct SSSR count
190: ok 5075 # ring membership passed
190: ok 5076 # correct SSSR count
190: ok 5077 # ring membership passed
190: ok 5078 # correct SSSR count
190: ok 5079 # ring membership passed
190: ok 5080 # correct SSSR count
190: ok 5081 # ring membership passed
190: ok 5082 # correct SSSR count
190: ok 5083 # ring membership passed
190: ok 5084 # correct SSSR count
190: ok 5085 # ring membership passed
190: ok 5086 # correct SSSR count
190: ok 5087 # ring membership passed
190: ok 5088 # correct SSSR count
190: ok 5089 # ring membership passed
190: ok 5090 # correct SSSR count
190: ok 5091 # ring membership passed
190: ok 5092 # correct SSSR count
190: ok 5093 # ring membership passed
190: ok 5094 # correct SSSR count
190: ok 5095 # ring membership passed
190: ok 5096 # correct SSSR count
190: ok 5097 # ring membership passed
190: ok 5098 # correct SSSR count
190: ok 5099 # ring membership passed
190: ok 5100 # correct SSSR count
190: ok 5101 # ring membership passed
190: ok 5102 # correct SSSR count
190: ok 5103 # ring membership passed
190: ok 5104 # correct ring bond data
190: ok 5105 # correct ring bond data
190: ok 5106 # correct ring bond data
190: ok 5107 # correct ring bond data
190: ok 5108 # correct ring bond data
190: ok 5109 # correct ring bond data
190: ok 5110 # correct ring bond data
190: ok 5111 # correct ring bond data
190: ok 5112 # correct ring bond data
190: ok 5113 # correct ring bond data
190: ok 5114 # correct ring bond data
190: ok 5115 # correct ring bond data
190: ok 5116 # correct ring bond data
190: ok 5117 # correct ring bond data
190: ok 5118 # correct ring bond data
190: ok 5119 # correct ring bond data
190: ok 5120 # correct ring bond data
190: ok 5121 # correct ring bond data
190: ok 5122 # correct ring bond data
190: ok 5123 # SSSR size matches reference
190: ok 5124 # correct SSSR count
190: ok 5125 # ring membership passed
190: ok 5126 # correct SSSR count
190: ok 5127 # ring membership passed
190: ok 5128 # correct SSSR count
190: ok 5129 # ring membership passed
190: ok 5130 # correct SSSR count
190: ok 5131 # ring membership passed
190: ok 5132 # correct SSSR count
190: ok 5133 # ring membership passed
190: ok 5134 # correct SSSR count
190: ok 5135 # ring membership passed
190: ok 5136 # correct SSSR count
190: ok 5137 # ring membership passed
190: ok 5138 # correct SSSR count
190: ok 5139 # ring membership passed
190: ok 5140 # correct SSSR count
190: ok 5141 # ring membership passed
190: ok 5142 # correct SSSR count
190: ok 5143 # ring membership passed
190: ok 5144 # correct SSSR count
190: ok 5145 # ring membership passed
190: ok 5146 # correct SSSR count
190: ok 5147 # ring membership passed
190: ok 5148 # correct SSSR count
190: ok 5149 # ring membership passed
190: ok 5150 # correct SSSR count
190: ok 5151 # ring membership passed
190: ok 5152 # correct SSSR count
190: ok 5153 # ring membership passed
190: ok 5154 # correct SSSR count
190: ok 5155 # ring membership passed
190: ok 5156 # correct SSSR count
190: ok 5157 # ring membership passed
190: ok 5158 # correct SSSR count
190: ok 5159 # ring membership passed
190: ok 5160 # correct ring bond data
190: ok 5161 # correct ring bond data
190: ok 5162 # correct ring bond data
190: ok 5163 # correct ring bond data
190: ok 5164 # correct ring bond data
190: ok 5165 # correct ring bond data
190: ok 5166 # correct ring bond data
190: ok 5167 # correct ring bond data
190: ok 5168 # correct ring bond data
190: ok 5169 # correct ring bond data
190: ok 5170 # correct ring bond data
190: ok 5171 # correct ring bond data
190: ok 5172 # correct ring bond data
190: ok 5173 # correct ring bond data
190: ok 5174 # correct ring bond data
190: ok 5175 # correct ring bond data
190: ok 5176 # correct ring bond data
190: ok 5177 # correct ring bond data
190: ok 5178 # correct ring bond data
190: ok 5179 # correct ring bond data
190: ok 5180 # correct ring bond data
190: ok 5181 # SSSR size matches reference
190: ok 5182 # correct SSSR count
190: ok 5183 # ring membership passed
190: ok 5184 # correct SSSR count
190: ok 5185 # ring membership passed
190: ok 5186 # correct SSSR count
190: ok 5187 # ring membership passed
190: ok 5188 # correct SSSR count
190: ok 5189 # ring membership passed
190: ok 5190 # correct SSSR count
190: ok 5191 # ring membership passed
190: ok 5192 # correct SSSR count
190: ok 5193 # ring membership passed
190: ok 5194 # correct SSSR count
190: ok 5195 # ring membership passed
190: ok 5196 # correct SSSR count
190: ok 5197 # ring membership passed
190: ok 5198 # correct SSSR count
190: ok 5199 # ring membership passed
190: ok 5200 # correct SSSR count
190: ok 5201 # ring membership passed
190: ok 5202 # correct SSSR count
190: ok 5203 # ring membership passed
190: ok 5204 # correct SSSR count
190: ok 5205 # ring membership passed
190: ok 5206 # correct SSSR count
190: ok 5207 # ring membership passed
190: ok 5208 # correct SSSR count
190: ok 5209 # ring membership passed
190: ok 5210 # correct SSSR count
190: ok 5211 # ring membership passed
190: ok 5212 # correct SSSR count
190: ok 5213 # ring membership passed
190: ok 5214 # correct SSSR count
190: ok 5215 # ring membership passed
190: ok 5216 # correct SSSR count
190: ok 5217 # ring membership passed
190: ok 5218 # correct SSSR count
190: ok 5219 # ring membership passed
190: ok 5220 # correct SSSR count
190: ok 5221 # ring membership passed
190: ok 5222 # correct ring bond data
190: ok 5223 # correct ring bond data
190: ok 5224 # correct ring bond data
190: ok 5225 # correct ring bond data
190: ok 5226 # correct ring bond data
190: ok 5227 # correct ring bond data
190: ok 5228 # correct ring bond data
190: ok 5229 # correct ring bond data
190: ok 5230 # correct ring bond data
190: ok 5231 # correct ring bond data
190: ok 5232 # correct ring bond data
190: ok 5233 # correct ring bond data
190: ok 5234 # SSSR size matches reference
190: ok 5235 # correct SSSR count
190: ok 5236 # ring membership passed
190: ok 5237 # correct SSSR count
190: ok 5238 # ring membership passed
190: ok 5239 # correct SSSR count
190: ok 5240 # ring membership passed
190: ok 5241 # correct SSSR count
190: ok 5242 # ring membership passed
190: ok 5243 # correct SSSR count
190: ok 5244 # ring membership passed
190: ok 5245 # correct SSSR count
190: ok 5246 # ring membership passed
190: ok 5247 # correct SSSR count
190: ok 5248 # ring membership passed
190: ok 5249 # correct SSSR count
190: ok 5250 # ring membership passed
190: ok 5251 # correct SSSR count
190: ok 5252 # ring membership passed
190: ok 5253 # correct SSSR count
190: ok 5254 # ring membership passed
190: ok 5255 # correct SSSR count
190: ok 5256 # ring membership passed
190: ok 5257 # correct SSSR count
190: ok 5258 # ring membership passed
190: ok 5259 # correct ring bond data
190: ok 5260 # correct ring bond data
190: ok 5261 # correct ring bond data
190: ok 5262 # correct ring bond data
190: ok 5263 # correct ring bond data
190: ok 5264 # correct ring bond data
190: ok 5265 # correct ring bond data
190: ok 5266 # correct ring bond data
190: ok 5267 # correct ring bond data
190: ok 5268 # correct ring bond data
190: ok 5269 # correct ring bond data
190: ok 5270 # correct ring bond data
190: ok 5271 # SSSR size matches reference
190: ok 5272 # correct SSSR count
190: ok 5273 # ring membership passed
190: ok 5274 # correct SSSR count
190: ok 5275 # ring membership passed
190: ok 5276 # correct SSSR count
190: ok 5277 # ring membership passed
190: ok 5278 # correct SSSR count
190: ok 5279 # ring membership passed
190: ok 5280 # correct SSSR count
190: ok 5281 # ring membership passed
190: ok 5282 # correct SSSR count
190: ok 5283 # ring membership passed
190: ok 5284 # correct SSSR count
190: ok 5285 # ring membership passed
190: ok 5286 # correct SSSR count
190: ok 5287 # ring membership passed
190: ok 5288 # correct SSSR count
190: ok 5289 # ring membership passed
190: ok 5290 # correct SSSR count
190: ok 5291 # ring membership passed
190: ok 5292 # correct SSSR count
190: ok 5293 # ring membership passed
190: ok 5294 # correct SSSR count
190: ok 5295 # ring membership passed
190: ok 5296 # correct ring bond data
190: ok 5297 # correct ring bond data
190: ok 5298 # correct ring bond data
190: ok 5299 # correct ring bond data
190: ok 5300 # correct ring bond data
190: ok 5301 # correct ring bond data
190: ok 5302 # correct ring bond data
190: ok 5303 # correct ring bond data
190: ok 5304 # correct ring bond data
190: ok 5305 # correct ring bond data
190: ok 5306 # correct ring bond data
190: ok 5307 # correct ring bond data
190: ok 5308 # correct ring bond data
190: ok 5309 # correct ring bond data
190: ok 5310 # correct ring bond data
190: ok 5311 # correct ring bond data
190: ok 5312 # correct ring bond data
190: ok 5313 # correct ring bond data
190: ok 5314 # correct ring bond data
190: ok 5315 # correct ring bond data
190: ok 5316 # correct ring bond data
190: ok 5317 # SSSR size matches reference
190: ok 5318 # correct SSSR count
190: ok 5319 # ring membership passed
190: ok 5320 # correct SSSR count
190: ok 5321 # ring membership passed
190: ok 5322 # correct SSSR count
190: ok 5323 # ring membership passed
190: ok 5324 # correct SSSR count
190: ok 5325 # ring membership passed
190: ok 5326 # correct SSSR count
190: ok 5327 # ring membership passed
190: ok 5328 # correct SSSR count
190: ok 5329 # ring membership passed
190: ok 5330 # correct SSSR count
190: ok 5331 # ring membership passed
190: ok 5332 # correct SSSR count
190: ok 5333 # ring membership passed
190: ok 5334 # correct SSSR count
190: ok 5335 # ring membership passed
190: ok 5336 # correct SSSR count
190: ok 5337 # ring membership passed
190: ok 5338 # correct SSSR count
190: ok 5339 # ring membership passed
190: ok 5340 # correct SSSR count
190: ok 5341 # ring membership passed
190: ok 5342 # correct SSSR count
190: ok 5343 # ring membership passed
190: ok 5344 # correct SSSR count
190: ok 5345 # ring membership passed
190: ok 5346 # correct SSSR count
190: ok 5347 # ring membership passed
190: ok 5348 # correct SSSR count
190: ok 5349 # ring membership passed
190: ok 5350 # correct SSSR count
190: ok 5351 # ring membership passed
190: ok 5352 # correct SSSR count
190: ok 5353 # ring membership passed
190: ok 5354 # correct SSSR count
190: ok 5355 # ring membership passed
190: ok 5356 # correct SSSR count
190: ok 5357 # ring membership passed
190: ok 5358 # correct ring bond data
190: ok 5359 # correct ring bond data
190: ok 5360 # correct ring bond data
190: ok 5361 # correct ring bond data
190: ok 5362 # correct ring bond data
190: ok 5363 # correct ring bond data
190: ok 5364 # correct ring bond data
190: ok 5365 # correct ring bond data
190: ok 5366 # correct ring bond data
190: ok 5367 # correct ring bond data
190: ok 5368 # correct ring bond data
190: ok 5369 # correct ring bond data
190: ok 5370 # correct ring bond data
190: ok 5371 # correct ring bond data
190: ok 5372 # correct ring bond data
190: ok 5373 # correct ring bond data
190: ok 5374 # correct ring bond data
190: ok 5375 # correct ring bond data
190: ok 5376 # correct ring bond data
190: ok 5377 # correct ring bond data
190: ok 5378 # correct ring bond data
190: ok 5379 # SSSR size matches reference
190: ok 5380 # correct SSSR count
190: ok 5381 # ring membership passed
190: ok 5382 # correct SSSR count
190: ok 5383 # ring membership passed
190: ok 5384 # correct SSSR count
190: ok 5385 # ring membership passed
190: ok 5386 # correct SSSR count
190: ok 5387 # ring membership passed
190: ok 5388 # correct SSSR count
190: ok 5389 # ring membership passed
190: ok 5390 # correct SSSR count
190: ok 5391 # ring membership passed
190: ok 5392 # correct SSSR count
190: ok 5393 # ring membership passed
190: ok 5394 # correct SSSR count
190: ok 5395 # ring membership passed
190: ok 5396 # correct SSSR count
190: ok 5397 # ring membership passed
190: ok 5398 # correct SSSR count
190: ok 5399 # ring membership passed
190: ok 5400 # correct SSSR count
190: ok 5401 # ring membership passed
190: ok 5402 # correct SSSR count
190: ok 5403 # ring membership passed
190: ok 5404 # correct SSSR count
190: ok 5405 # ring membership passed
190: ok 5406 # correct SSSR count
190: ok 5407 # ring membership passed
190: ok 5408 # correct SSSR count
190: ok 5409 # ring membership passed
190: ok 5410 # correct SSSR count
190: ok 5411 # ring membership passed
190: ok 5412 # correct SSSR count
190: ok 5413 # ring membership passed
190: ok 5414 # correct SSSR count
190: ok 5415 # ring membership passed
190: ok 5416 # correct SSSR count
190: ok 5417 # ring membership passed
190: ok 5418 # correct SSSR count
190: ok 5419 # ring membership passed
190: ok 5420 # correct ring bond data
190: ok 5421 # correct ring bond data
190: ok 5422 # correct ring bond data
190: ok 5423 # correct ring bond data
190: ok 5424 # correct ring bond data
190: ok 5425 # correct ring bond data
190: ok 5426 # correct ring bond data
190: ok 5427 # correct ring bond data
190: ok 5428 # correct ring bond data
190: ok 5429 # correct ring bond data
190: ok 5430 # correct ring bond data
190: ok 5431 # correct ring bond data
190: ok 5432 # correct ring bond data
190: ok 5433 # correct ring bond data
190: ok 5434 # correct ring bond data
190: ok 5435 # SSSR size matches reference
190: ok 5436 # correct SSSR count
190: ok 5437 # ring membership passed
190: ok 5438 # correct SSSR count
190: ok 5439 # ring membership passed
190: ok 5440 # correct SSSR count
190: ok 5441 # ring membership passed
190: ok 5442 # correct SSSR count
190: ok 5443 # ring membership passed
190: ok 5444 # correct SSSR count
190: ok 5445 # ring membership passed
190: ok 5446 # correct SSSR count
190: ok 5447 # ring membership passed
190: ok 5448 # correct SSSR count
190: ok 5449 # ring membership passed
190: ok 5450 # correct SSSR count
190: ok 5451 # ring membership passed
190: ok 5452 # correct SSSR count
190: ok 5453 # ring membership passed
190: ok 5454 # correct SSSR count
190: ok 5455 # ring membership passed
190: ok 5456 # correct SSSR count
190: ok 5457 # ring membership passed
190: ok 5458 # correct SSSR count
190: ok 5459 # ring membership passed
190: ok 5460 # correct SSSR count
190: ok 5461 # ring membership passed
190: ok 5462 # correct SSSR count
190: ok 5463 # ring membership passed
190: ok 5464 # correct SSSR count
190: ok 5465 # ring membership passed
190: ok 5466 # correct ring bond data
190: ok 5467 # correct ring bond data
190: ok 5468 # correct ring bond data
190: ok 5469 # correct ring bond data
190: ok 5470 # correct ring bond data
190: ok 5471 # correct ring bond data
190: ok 5472 # correct ring bond data
190: ok 5473 # correct ring bond data
190: ok 5474 # correct ring bond data
190: ok 5475 # correct ring bond data
190: ok 5476 # correct ring bond data
190: ok 5477 # correct ring bond data
190: ok 5478 # correct ring bond data
190: ok 5479 # correct ring bond data
190: ok 5480 # correct ring bond data
190: ok 5481 # correct ring bond data
190: ok 5482 # correct ring bond data
190: ok 5483 # correct ring bond data
190: ok 5484 # correct ring bond data
190: ok 5485 # SSSR size matches reference
190: ok 5486 # correct SSSR count
190: ok 5487 # ring membership passed
190: ok 5488 # correct SSSR count
190: ok 5489 # ring membership passed
190: ok 5490 # correct SSSR count
190: ok 5491 # ring membership passed
190: ok 5492 # correct SSSR count
190: ok 5493 # ring membership passed
190: ok 5494 # correct SSSR count
190: ok 5495 # ring membership passed
190: ok 5496 # correct SSSR count
190: ok 5497 # ring membership passed
190: ok 5498 # correct SSSR count
190: ok 5499 # ring membership passed
190: ok 5500 # correct SSSR count
190: ok 5501 # ring membership passed
190: ok 5502 # correct SSSR count
190: ok 5503 # ring membership passed
190: ok 5504 # correct SSSR count
190: ok 5505 # ring membership passed
190: ok 5506 # correct SSSR count
190: ok 5507 # ring membership passed
190: ok 5508 # correct SSSR count
190: ok 5509 # ring membership passed
190: ok 5510 # correct SSSR count
190: ok 5511 # ring membership passed
190: ok 5512 # correct SSSR count
190: ok 5513 # ring membership passed
190: ok 5514 # correct SSSR count
190: ok 5515 # ring membership passed
190: ok 5516 # correct SSSR count
190: ok 5517 # ring membership passed
190: ok 5518 # correct SSSR count
190: ok 5519 # ring membership passed
190: ok 5520 # correct SSSR count
190: ok 5521 # ring membership passed
190: ok 5522 # correct SSSR count
190: ok 5523 # ring membership passed
190: ok 5524 # correct ring bond data
190: ok 5525 # correct ring bond data
190: ok 5526 # correct ring bond data
190: ok 5527 # correct ring bond data
190: ok 5528 # correct ring bond data
190: ok 5529 # correct ring bond data
190: ok 5530 # correct ring bond data
190: ok 5531 # correct ring bond data
190: ok 5532 # correct ring bond data
190: ok 5533 # correct ring bond data
190: ok 5534 # correct ring bond data
190: ok 5535 # correct ring bond data
190: ok 5536 # correct ring bond data
190: ok 5537 # correct ring bond data
190: ok 5538 # correct ring bond data
190: ok 5539 # correct ring bond data
190: ok 5540 # correct ring bond data
190: ok 5541 # correct ring bond data
190: ok 5542 # correct ring bond data
190: ok 5543 # correct ring bond data
190: ok 5544 # SSSR size matches reference
190: ok 5545 # correct SSSR count
190: ok 5546 # ring membership passed
190: ok 5547 # correct SSSR count
190: ok 5548 # ring membership passed
190: ok 5549 # correct SSSR count
190: ok 5550 # ring membership passed
190: ok 5551 # correct SSSR count
190: ok 5552 # ring membership passed
190: ok 5553 # correct SSSR count
190: ok 5554 # ring membership passed
190: ok 5555 # correct SSSR count
190: ok 5556 # ring membership passed
190: ok 5557 # correct SSSR count
190: ok 5558 # ring membership passed
190: ok 5559 # correct SSSR count
190: ok 5560 # ring membership passed
190: ok 5561 # correct SSSR count
190: ok 5562 # ring membership passed
190: ok 5563 # correct SSSR count
190: ok 5564 # ring membership passed
190: ok 5565 # correct SSSR count
190: ok 5566 # ring membership passed
190: ok 5567 # correct SSSR count
190: ok 5568 # ring membership passed
190: ok 5569 # correct SSSR count
190: ok 5570 # ring membership passed
190: ok 5571 # correct SSSR count
190: ok 5572 # ring membership passed
190: ok 5573 # correct SSSR count
190: ok 5574 # ring membership passed
190: ok 5575 # correct SSSR count
190: ok 5576 # ring membership passed
190: ok 5577 # correct SSSR count
190: ok 5578 # ring membership passed
190: ok 5579 # correct SSSR count
190: ok 5580 # ring membership passed
190: ok 5581 # correct SSSR count
190: ok 5582 # ring membership passed
190: ok 5583 # correct SSSR count
190: ok 5584 # ring membership passed
190: ok 5585 # correct ring bond data
190: ok 5586 # correct ring bond data
190: ok 5587 # correct ring bond data
190: ok 5588 # correct ring bond data
190: ok 5589 # correct ring bond data
190: ok 5590 # correct ring bond data
190: ok 5591 # correct ring bond data
190: ok 5592 # correct ring bond data
190: ok 5593 # correct ring bond data
190: ok 5594 # correct ring bond data
190: ok 5595 # correct ring bond data
190: ok 5596 # correct ring bond data
190: ok 5597 # correct ring bond data
190: ok 5598 # correct ring bond data
190: ok 5599 # correct ring bond data
190: ok 5600 # correct ring bond data
190: ok 5601 # correct ring bond data
190: ok 5602 # correct ring bond data
190: ok 5603 # correct ring bond data
190: ok 5604 # correct ring bond data
190: ok 5605 # correct ring bond data
190: ok 5606 # SSSR size matches reference
190: ok 5607 # correct SSSR count
190: ok 5608 # ring membership passed
190: ok 5609 # correct SSSR count
190: ok 5610 # ring membership passed
190: ok 5611 # correct SSSR count
190: ok 5612 # ring membership passed
190: ok 5613 # correct SSSR count
190: ok 5614 # ring membership passed
190: ok 5615 # correct SSSR count
190: ok 5616 # ring membership passed
190: ok 5617 # correct SSSR count
190: ok 5618 # ring membership passed
190: ok 5619 # correct SSSR count
190: ok 5620 # ring membership passed
190: ok 5621 # correct SSSR count
190: ok 5622 # ring membership passed
190: ok 5623 # correct SSSR count
190: ok 5624 # ring membership passed
190: ok 5625 # correct SSSR count
190: ok 5626 # ring membership passed
190: ok 5627 # correct SSSR count
190: ok 5628 # ring membership passed
190: ok 5629 # correct SSSR count
190: ok 5630 # ring membership passed
190: ok 5631 # correct SSSR count
190: ok 5632 # ring membership passed
190: ok 5633 # correct SSSR count
190: ok 5634 # ring membership passed
190: ok 5635 # correct SSSR count
190: ok 5636 # ring membership passed
190: ok 5637 # correct SSSR count
190: ok 5638 # ring membership passed
190: ok 5639 # correct SSSR count
190: ok 5640 # ring membership passed
190: ok 5641 # correct SSSR count
190: ok 5642 # ring membership passed
190: ok 5643 # correct SSSR count
190: ok 5644 # ring membership passed
190: ok 5645 # correct SSSR count
190: ok 5646 # ring membership passed
190: ok 5647 # correct SSSR count
190: ok 5648 # ring membership passed
190: ok 5649 # correct ring bond data
190: ok 5650 # correct ring bond data
190: ok 5651 # correct ring bond data
190: ok 5652 # correct ring bond data
190: ok 5653 # correct ring bond data
190: ok 5654 # correct ring bond data
190: ok 5655 # correct ring bond data
190: ok 5656 # correct ring bond data
190: ok 5657 # correct ring bond data
190: ok 5658 # correct ring bond data
190: ok 5659 # correct ring bond data
190: ok 5660 # correct ring bond data
190: ok 5661 # correct ring bond data
190: ok 5662 # correct ring bond data
190: ok 5663 # correct ring bond data
190: ok 5664 # correct ring bond data
190: ok 5665 # correct ring bond data
190: ok 5666 # correct ring bond data
190: ok 5667 # correct ring bond data
190: ok 5668 # SSSR size matches reference
190: ok 5669 # correct SSSR count
190: ok 5670 # ring membership passed
190: ok 5671 # correct SSSR count
190: ok 5672 # ring membership passed
190: ok 5673 # correct SSSR count
190: ok 5674 # ring membership passed
190: ok 5675 # correct SSSR count
190: ok 5676 # ring membership passed
190: ok 5677 # correct SSSR count
190: ok 5678 # ring membership passed
190: ok 5679 # correct SSSR count
190: ok 5680 # ring membership passed
190: ok 5681 # correct SSSR count
190: ok 5682 # ring membership passed
190: ok 5683 # correct SSSR count
190: ok 5684 # ring membership passed
190: ok 5685 # correct SSSR count
190: ok 5686 # ring membership passed
190: ok 5687 # correct SSSR count
190: ok 5688 # ring membership passed
190: ok 5689 # correct SSSR count
190: ok 5690 # ring membership passed
190: ok 5691 # correct SSSR count
190: ok 5692 # ring membership passed
190: ok 5693 # correct SSSR count
190: ok 5694 # ring membership passed
190: ok 5695 # correct SSSR count
190: ok 5696 # ring membership passed
190: ok 5697 # correct SSSR count
190: ok 5698 # ring membership passed
190: ok 5699 # correct SSSR count
190: ok 5700 # ring membership passed
190: ok 5701 # correct SSSR count
190: ok 5702 # ring membership passed
190: ok 5703 # correct SSSR count
190: ok 5704 # ring membership passed
190: ok 5705 # correct SSSR count
190: ok 5706 # ring membership passed
190: ok 5707 # correct ring bond data
190: ok 5708 # correct ring bond data
190: ok 5709 # correct ring bond data
190: ok 5710 # correct ring bond data
190: ok 5711 # correct ring bond data
190: ok 5712 # correct ring bond data
190: ok 5713 # correct ring bond data
190: ok 5714 # correct ring bond data
190: ok 5715 # correct ring bond data
190: ok 5716 # correct ring bond data
190: ok 5717 # correct ring bond data
190: ok 5718 # correct ring bond data
190: ok 5719 # correct ring bond data
190: ok 5720 # correct ring bond data
190: ok 5721 # correct ring bond data
190: ok 5722 # correct ring bond data
190: ok 5723 # correct ring bond data
190: ok 5724 # correct ring bond data
190: ok 5725 # correct ring bond data
190: ok 5726 # correct ring bond data
190: ok 5727 # correct ring bond data
190: ok 5728 # correct ring bond data
190: ok 5729 # SSSR size matches reference
190: ok 5730 # correct SSSR count
190: ok 5731 # ring membership passed
190: ok 5732 # correct SSSR count
190: ok 5733 # ring membership passed
190: ok 5734 # correct SSSR count
190: ok 5735 # ring membership passed
190: ok 5736 # correct SSSR count
190: ok 5737 # ring membership passed
190: ok 5738 # correct SSSR count
190: ok 5739 # ring membership passed
190: ok 5740 # correct SSSR count
190: ok 5741 # ring membership passed
190: ok 5742 # correct SSSR count
190: ok 5743 # ring membership passed
190: ok 5744 # correct SSSR count
190: ok 5745 # ring membership passed
190: ok 5746 # correct SSSR count
190: ok 5747 # ring membership passed
190: ok 5748 # correct SSSR count
190: ok 5749 # ring membership passed
190: ok 5750 # correct SSSR count
190: ok 5751 # ring membership passed
190: ok 5752 # correct SSSR count
190: ok 5753 # ring membership passed
190: ok 5754 # correct SSSR count
190: ok 5755 # ring membership passed
190: ok 5756 # correct SSSR count
190: ok 5757 # ring membership passed
190: ok 5758 # correct SSSR count
190: ok 5759 # ring membership passed
190: ok 5760 # correct SSSR count
190: ok 5761 # ring membership passed
190: ok 5762 # correct SSSR count
190: ok 5763 # ring membership passed
190: ok 5764 # correct SSSR count
190: ok 5765 # ring membership passed
190: ok 5766 # correct SSSR count
190: ok 5767 # ring membership passed
190: ok 5768 # correct SSSR count
190: ok 5769 # ring membership passed
190: ok 5770 # correct SSSR count
190: ok 5771 # ring membership passed
190: ok 5772 # correct SSSR count
190: ok 5773 # ring membership passed
190: ok 5774 # correct ring bond data
190: ok 5775 # correct ring bond data
190: ok 5776 # correct ring bond data
190: ok 5777 # correct ring bond data
190: ok 5778 # correct ring bond data
190: ok 5779 # correct ring bond data
190: ok 5780 # correct ring bond data
190: ok 5781 # correct ring bond data
190: ok 5782 # correct ring bond data
190: ok 5783 # correct ring bond data
190: ok 5784 # correct ring bond data
190: ok 5785 # correct ring bond data
190: ok 5786 # correct ring bond data
190: ok 5787 # correct ring bond data
190: ok 5788 # SSSR size matches reference
190: ok 5789 # correct SSSR count
190: ok 5790 # ring membership passed
190: ok 5791 # correct SSSR count
190: ok 5792 # ring membership passed
190: ok 5793 # correct SSSR count
190: ok 5794 # ring membership passed
190: ok 5795 # correct SSSR count
190: ok 5796 # ring membership passed
190: ok 5797 # correct SSSR count
190: ok 5798 # ring membership passed
190: ok 5799 # correct SSSR count
190: ok 5800 # ring membership passed
190: ok 5801 # correct SSSR count
190: ok 5802 # ring membership passed
190: ok 5803 # correct SSSR count
190: ok 5804 # ring membership passed
190: ok 5805 # correct SSSR count
190: ok 5806 # ring membership passed
190: ok 5807 # correct SSSR count
190: ok 5808 # ring membership passed
190: ok 5809 # correct SSSR count
190: ok 5810 # ring membership passed
190: ok 5811 # correct SSSR count
190: ok 5812 # ring membership passed
190: ok 5813 # correct SSSR count
190: ok 5814 # ring membership passed
190: ok 5815 # correct SSSR count
190: ok 5816 # ring membership passed
190: ok 5817 # correct ring bond data
190: ok 5818 # correct ring bond data
190: ok 5819 # correct ring bond data
190: ok 5820 # correct ring bond data
190: ok 5821 # correct ring bond data
190: ok 5822 # correct ring bond data
190: ok 5823 # correct ring bond data
190: ok 5824 # correct ring bond data
190: ok 5825 # correct ring bond data
190: ok 5826 # correct ring bond data
190: ok 5827 # correct ring bond data
190: ok 5828 # correct ring bond data
190: ok 5829 # correct ring bond data
190: ok 5830 # correct ring bond data
190: ok 5831 # correct ring bond data
190: ok 5832 # correct ring bond data
190: ok 5833 # correct ring bond data
190: ok 5834 # correct ring bond data
190: ok 5835 # correct ring bond data
190: ok 5836 # correct ring bond data
190: ok 5837 # correct ring bond data
190: ok 5838 # correct ring bond data
190: ok 5839 # correct ring bond data
190: ok 5840 # correct ring bond data
190: ok 5841 # SSSR size matches reference
190: ok 5842 # correct SSSR count
190: ok 5843 # ring membership passed
190: ok 5844 # correct SSSR count
190: ok 5845 # ring membership passed
190: ok 5846 # correct SSSR count
190: ok 5847 # ring membership passed
190: ok 5848 # correct SSSR count
190: ok 5849 # ring membership passed
190: ok 5850 # correct SSSR count
190: ok 5851 # ring membership passed
190: ok 5852 # correct SSSR count
190: ok 5853 # ring membership passed
190: ok 5854 # correct SSSR count
190: ok 5855 # ring membership passed
190: ok 5856 # correct SSSR count
190: ok 5857 # ring membership passed
190: ok 5858 # correct SSSR count
190: ok 5859 # ring membership passed
190: ok 5860 # correct SSSR count
190: ok 5861 # ring membership passed
190: ok 5862 # correct SSSR count
190: ok 5863 # ring membership passed
190: ok 5864 # correct SSSR count
190: ok 5865 # ring membership passed
190: ok 5866 # correct SSSR count
190: ok 5867 # ring membership passed
190: ok 5868 # correct SSSR count
190: ok 5869 # ring membership passed
190: ok 5870 # correct SSSR count
190: ok 5871 # ring membership passed
190: ok 5872 # correct SSSR count
190: ok 5873 # ring membership passed
190: ok 5874 # correct SSSR count
190: ok 5875 # ring membership passed
190: ok 5876 # correct SSSR count
190: ok 5877 # ring membership passed
190: ok 5878 # correct SSSR count
190: ok 5879 # ring membership passed
190: ok 5880 # correct SSSR count
190: ok 5881 # ring membership passed
190: ok 5882 # correct SSSR count
190: ok 5883 # ring membership passed
190: ok 5884 # correct SSSR count
190: ok 5885 # ring membership passed
190: ok 5886 # correct SSSR count
190: ok 5887 # ring membership passed
190: ok 5888 # correct ring bond data
190: ok 5889 # correct ring bond data
190: ok 5890 # correct ring bond data
190: ok 5891 # correct ring bond data
190: ok 5892 # correct ring bond data
190: ok 5893 # correct ring bond data
190: ok 5894 # correct ring bond data
190: ok 5895 # correct ring bond data
190: ok 5896 # correct ring bond data
190: ok 5897 # correct ring bond data
190: ok 5898 # correct ring bond data
190: ok 5899 # correct ring bond data
190: ok 5900 # correct ring bond data
190: ok 5901 # correct ring bond data
190: ok 5902 # correct ring bond data
190: ok 5903 # correct ring bond data
190: ok 5904 # correct ring bond data
190: ok 5905 # correct ring bond data
190: ok 5906 # correct ring bond data
190: ok 5907 # SSSR size matches reference
190: ok 5908 # correct SSSR count
190: ok 5909 # ring membership passed
190: ok 5910 # correct SSSR count
190: ok 5911 # ring membership passed
190: ok 5912 # correct SSSR count
190: ok 5913 # ring membership passed
190: ok 5914 # correct SSSR count
190: ok 5915 # ring membership passed
190: ok 5916 # correct SSSR count
190: ok 5917 # ring membership passed
190: ok 5918 # correct SSSR count
190: ok 5919 # ring membership passed
190: ok 5920 # correct SSSR count
190: ok 5921 # ring membership passed
190: ok 5922 # correct SSSR count
190: ok 5923 # ring membership passed
190: ok 5924 # correct SSSR count
190: ok 5925 # ring membership passed
190: ok 5926 # correct SSSR count
190: ok 5927 # ring membership passed
190: ok 5928 # correct SSSR count
190: ok 5929 # ring membership passed
190: ok 5930 # correct SSSR count
190: ok 5931 # ring membership passed
190: ok 5932 # correct SSSR count
190: ok 5933 # ring membership passed
190: ok 5934 # correct SSSR count
190: ok 5935 # ring membership passed
190: ok 5936 # correct SSSR count
190: ok 5937 # ring membership passed
190: ok 5938 # correct SSSR count
190: ok 5939 # ring membership passed
190: ok 5940 # correct SSSR count
190: ok 5941 # ring membership passed
190: ok 5942 # correct SSSR count
190: ok 5943 # ring membership passed
190: ok 5944 # correct ring bond data
190: ok 5945 # correct ring bond data
190: ok 5946 # correct ring bond data
190: ok 5947 # correct ring bond data
190: ok 5948 # correct ring bond data
190: ok 5949 # correct ring bond data
190: ok 5950 # correct ring bond data
190: ok 5951 # correct ring bond data
190: ok 5952 # correct ring bond data
190: ok 5953 # correct ring bond data
190: ok 5954 # correct ring bond data
190: ok 5955 # correct ring bond data
190: ok 5956 # correct ring bond data
190: ok 5957 # correct ring bond data
190: ok 5958 # correct ring bond data
190: ok 5959 # correct ring bond data
190: ok 5960 # correct ring bond data
190: ok 5961 # correct ring bond data
190: ok 5962 # correct ring bond data
190: ok 5963 # correct ring bond data
190: ok 5964 # SSSR size matches reference
190: ok 5965 # correct SSSR count
190: ok 5966 # ring membership passed
190: ok 5967 # correct SSSR count
190: ok 5968 # ring membership passed
190: ok 5969 # correct SSSR count
190: ok 5970 # ring membership passed
190: ok 5971 # correct SSSR count
190: ok 5972 # ring membership passed
190: ok 5973 # correct SSSR count
190: ok 5974 # ring membership passed
190: ok 5975 # correct SSSR count
190: ok 5976 # ring membership passed
190: ok 5977 # correct SSSR count
190: ok 5978 # ring membership passed
190: ok 5979 # correct SSSR count
190: ok 5980 # ring membership passed
190: ok 5981 # correct SSSR count
190: ok 5982 # ring membership passed
190: ok 5983 # correct SSSR count
190: ok 5984 # ring membership passed
190: ok 5985 # correct SSSR count
190: ok 5986 # ring membership passed
190: ok 5987 # correct SSSR count
190: ok 5988 # ring membership passed
190: ok 5989 # correct SSSR count
190: ok 5990 # ring membership passed
190: ok 5991 # correct SSSR count
190: ok 5992 # ring membership passed
190: ok 5993 # correct SSSR count
190: ok 5994 # ring membership passed
190: ok 5995 # correct SSSR count
190: ok 5996 # ring membership passed
190: ok 5997 # correct SSSR count
190: ok 5998 # ring membership passed
190: ok 5999 # correct SSSR count
190: ok 6000 # ring membership passed
190: ok 6001 # correct ring bond data
190: ok 6002 # correct ring bond data
190: ok 6003 # correct ring bond data
190: ok 6004 # correct ring bond data
190: ok 6005 # correct ring bond data
190: ok 6006 # correct ring bond data
190: ok 6007 # correct ring bond data
190: ok 6008 # correct ring bond data
190: ok 6009 # correct ring bond data
190: ok 6010 # correct ring bond data
190: ok 6011 # correct ring bond data
190: ok 6012 # correct ring bond data
190: ok 6013 # correct ring bond data
190: ok 6014 # correct ring bond data
190: ok 6015 # correct ring bond data
190: ok 6016 # correct ring bond data
190: ok 6017 # correct ring bond data
190: ok 6018 # correct ring bond data
190: ok 6019 # correct ring bond data
190: ok 6020 # correct ring bond data
190: ok 6021 # correct ring bond data
190: ok 6022 # SSSR size matches reference
190: ok 6023 # correct SSSR count
190: ok 6024 # ring membership passed
190: ok 6025 # correct SSSR count
190: ok 6026 # ring membership passed
190: ok 6027 # correct SSSR count
190: ok 6028 # ring membership passed
190: ok 6029 # correct SSSR count
190: ok 6030 # ring membership passed
190: ok 6031 # correct SSSR count
190: ok 6032 # ring membership passed
190: ok 6033 # correct SSSR count
190: ok 6034 # ring membership passed
190: ok 6035 # correct SSSR count
190: ok 6036 # ring membership passed
190: ok 6037 # correct SSSR count
190: ok 6038 # ring membership passed
190: ok 6039 # correct SSSR count
190: ok 6040 # ring membership passed
190: ok 6041 # correct SSSR count
190: ok 6042 # ring membership passed
190: ok 6043 # correct SSSR count
190: ok 6044 # ring membership passed
190: ok 6045 # correct SSSR count
190: ok 6046 # ring membership passed
190: ok 6047 # correct SSSR count
190: ok 6048 # ring membership passed
190: ok 6049 # correct SSSR count
190: ok 6050 # ring membership passed
190: ok 6051 # correct SSSR count
190: ok 6052 # ring membership passed
190: ok 6053 # correct SSSR count
190: ok 6054 # ring membership passed
190: ok 6055 # correct SSSR count
190: ok 6056 # ring membership passed
190: ok 6057 # correct SSSR count
190: ok 6058 # ring membership passed
190: ok 6059 # correct SSSR count
190: ok 6060 # ring membership passed
190: ok 6061 # correct ring bond data
190: ok 6062 # correct ring bond data
190: ok 6063 # correct ring bond data
190: ok 6064 # correct ring bond data
190: ok 6065 # correct ring bond data
190: ok 6066 # correct ring bond data
190: ok 6067 # correct ring bond data
190: ok 6068 # correct ring bond data
190: ok 6069 # correct ring bond data
190: ok 6070 # correct ring bond data
190: ok 6071 # correct ring bond data
190: ok 6072 # correct ring bond data
190: ok 6073 # correct ring bond data
190: ok 6074 # correct ring bond data
190: ok 6075 # SSSR size matches reference
190: ok 6076 # correct SSSR count
190: ok 6077 # ring membership passed
190: ok 6078 # correct SSSR count
190: ok 6079 # ring membership passed
190: ok 6080 # correct SSSR count
190: ok 6081 # ring membership passed
190: ok 6082 # correct SSSR count
190: ok 6083 # ring membership passed
190: ok 6084 # correct SSSR count
190: ok 6085 # ring membership passed
190: ok 6086 # correct SSSR count
190: ok 6087 # ring membership passed
190: ok 6088 # correct SSSR count
190: ok 6089 # ring membership passed
190: ok 6090 # correct SSSR count
190: ok 6091 # ring membership passed
190: ok 6092 # correct SSSR count
190: ok 6093 # ring membership passed
190: ok 6094 # correct SSSR count
190: ok 6095 # ring membership passed
190: ok 6096 # correct SSSR count
190: ok 6097 # ring membership passed
190: ok 6098 # correct SSSR count
190: ok 6099 # ring membership passed
190: ok 6100 # correct SSSR count
190: ok 6101 # ring membership passed
190: ok 6102 # correct SSSR count
190: ok 6103 # ring membership passed
190: ok 6104 # correct ring bond data
190: ok 6105 # correct ring bond data
190: ok 6106 # correct ring bond data
190: ok 6107 # correct ring bond data
190: ok 6108 # correct ring bond data
190: ok 6109 # correct ring bond data
190: ok 6110 # correct ring bond data
190: ok 6111 # correct ring bond data
190: ok 6112 # correct ring bond data
190: ok 6113 # correct ring bond data
190: ok 6114 # correct ring bond data
190: ok 6115 # correct ring bond data
190: ok 6116 # correct ring bond data
190: ok 6117 # correct ring bond data
190: ok 6118 # SSSR size matches reference
190: ok 6119 # correct SSSR count
190: ok 6120 # ring membership passed
190: ok 6121 # correct SSSR count
190: ok 6122 # ring membership passed
190: ok 6123 # correct SSSR count
190: ok 6124 # ring membership passed
190: ok 6125 # correct SSSR count
190: ok 6126 # ring membership passed
190: ok 6127 # correct SSSR count
190: ok 6128 # ring membership passed
190: ok 6129 # correct SSSR count
190: ok 6130 # ring membership passed
190: ok 6131 # correct SSSR count
190: ok 6132 # ring membership passed
190: ok 6133 # correct SSSR count
190: ok 6134 # ring membership passed
190: ok 6135 # correct SSSR count
190: ok 6136 # ring membership passed
190: ok 6137 # correct SSSR count
190: ok 6138 # ring membership passed
190: ok 6139 # correct SSSR count
190: ok 6140 # ring membership passed
190: ok 6141 # correct SSSR count
190: ok 6142 # ring membership passed
190: ok 6143 # correct SSSR count
190: ok 6144 # ring membership passed
190: ok 6145 # correct SSSR count
190: ok 6146 # ring membership passed
190: ok 6147 # correct ring bond data
190: ok 6148 # correct ring bond data
190: ok 6149 # correct ring bond data
190: ok 6150 # correct ring bond data
190: ok 6151 # correct ring bond data
190: ok 6152 # correct ring bond data
190: ok 6153 # correct ring bond data
190: ok 6154 # correct ring bond data
190: ok 6155 # correct ring bond data
190: ok 6156 # correct ring bond data
190: ok 6157 # correct ring bond data
190: ok 6158 # correct ring bond data
190: ok 6159 # correct ring bond data
190: ok 6160 # correct ring bond data
190: ok 6161 # SSSR size matches reference
190: ok 6162 # correct SSSR count
190: ok 6163 # ring membership passed
190: ok 6164 # correct SSSR count
190: ok 6165 # ring membership passed
190: ok 6166 # correct SSSR count
190: ok 6167 # ring membership passed
190: ok 6168 # correct SSSR count
190: ok 6169 # ring membership passed
190: ok 6170 # correct SSSR count
190: ok 6171 # ring membership passed
190: ok 6172 # correct SSSR count
190: ok 6173 # ring membership passed
190: ok 6174 # correct SSSR count
190: ok 6175 # ring membership passed
190: ok 6176 # correct SSSR count
190: ok 6177 # ring membership passed
190: ok 6178 # correct SSSR count
190: ok 6179 # ring membership passed
190: ok 6180 # correct SSSR count
190: ok 6181 # ring membership passed
190: ok 6182 # correct SSSR count
190: ok 6183 # ring membership passed
190: ok 6184 # correct SSSR count
190: ok 6185 # ring membership passed
190: ok 6186 # correct SSSR count
190: ok 6187 # ring membership passed
190: ok 6188 # correct SSSR count
190: ok 6189 # ring membership passed
190: ok 6190 # correct ring bond data
190: ok 6191 # correct ring bond data
190: ok 6192 # correct ring bond data
190: ok 6193 # correct ring bond data
190: ok 6194 # correct ring bond data
190: ok 6195 # correct ring bond data
190: ok 6196 # correct ring bond data
190: ok 6197 # correct ring bond data
190: ok 6198 # correct ring bond data
190: ok 6199 # correct ring bond data
190: ok 6200 # correct ring bond data
190: ok 6201 # correct ring bond data
190: ok 6202 # SSSR size matches reference
190: ok 6203 # correct SSSR count
190: ok 6204 # ring membership passed
190: ok 6205 # correct SSSR count
190: ok 6206 # ring membership passed
190: ok 6207 # correct SSSR count
190: ok 6208 # ring membership passed
190: ok 6209 # correct SSSR count
190: ok 6210 # ring membership passed
190: ok 6211 # correct SSSR count
190: ok 6212 # ring membership passed
190: ok 6213 # correct SSSR count
190: ok 6214 # ring membership passed
190: ok 6215 # correct SSSR count
190: ok 6216 # ring membership passed
190: ok 6217 # correct SSSR count
190: ok 6218 # ring membership passed
190: ok 6219 # correct SSSR count
190: ok 6220 # ring membership passed
190: ok 6221 # correct SSSR count
190: ok 6222 # ring membership passed
190: ok 6223 # correct SSSR count
190: ok 6224 # ring membership passed
190: ok 6225 # correct SSSR count
190: ok 6226 # ring membership passed
190: ok 6227 # correct ring bond data
190: ok 6228 # correct ring bond data
190: ok 6229 # correct ring bond data
190: ok 6230 # correct ring bond data
190: ok 6231 # correct ring bond data
190: ok 6232 # correct ring bond data
190: ok 6233 # correct ring bond data
190: ok 6234 # correct ring bond data
190: ok 6235 # correct ring bond data
190: ok 6236 # correct ring bond data
190: ok 6237 # correct ring bond data
190: ok 6238 # correct ring bond data
190: ok 6239 # correct ring bond data
190: ok 6240 # correct ring bond data
190: ok 6241 # correct ring bond data
190: ok 6242 # correct ring bond data
190: ok 6243 # correct ring bond data
190: ok 6244 # correct ring bond data
190: ok 6245 # SSSR size matches reference
190: ok 6246 # correct SSSR count
190: ok 6247 # ring membership passed
190: ok 6248 # correct SSSR count
190: ok 6249 # ring membership passed
190: ok 6250 # correct SSSR count
190: ok 6251 # ring membership passed
190: ok 6252 # correct SSSR count
190: ok 6253 # ring membership passed
190: ok 6254 # correct SSSR count
190: ok 6255 # ring membership passed
190: ok 6256 # correct SSSR count
190: ok 6257 # ring membership passed
190: ok 6258 # correct SSSR count
190: ok 6259 # ring membership passed
190: ok 6260 # correct SSSR count
190: ok 6261 # ring membership passed
190: ok 6262 # correct SSSR count
190: ok 6263 # ring membership passed
190: ok 6264 # correct SSSR count
190: ok 6265 # ring membership passed
190: ok 6266 # correct SSSR count
190: ok 6267 # ring membership passed
190: ok 6268 # correct SSSR count
190: ok 6269 # ring membership passed
190: ok 6270 # correct SSSR count
190: ok 6271 # ring membership passed
190: ok 6272 # correct SSSR count
190: ok 6273 # ring membership passed
190: ok 6274 # correct SSSR count
190: ok 6275 # ring membership passed
190: ok 6276 # correct SSSR count
190: ok 6277 # ring membership passed
190: ok 6278 # correct SSSR count
190: ok 6279 # ring membership passed
190: ok 6280 # correct ring bond data
190: ok 6281 # correct ring bond data
190: ok 6282 # correct ring bond data
190: ok 6283 # correct ring bond data
190: ok 6284 # correct ring bond data
190: ok 6285 # correct ring bond data
190: ok 6286 # correct ring bond data
190: ok 6287 # correct ring bond data
190: ok 6288 # correct ring bond data
190: ok 6289 # correct ring bond data
190: ok 6290 # correct ring bond data
190: ok 6291 # correct ring bond data
190: ok 6292 # correct ring bond data
190: ok 6293 # correct ring bond data
190: ok 6294 # correct ring bond data
190: ok 6295 # correct ring bond data
190: ok 6296 # correct ring bond data
190: ok 6297 # correct ring bond data
190: ok 6298 # correct ring bond data
190: ok 6299 # correct ring bond data
190: ok 6300 # correct ring bond data
190: ok 6301 # correct ring bond data
190: ok 6302 # correct ring bond data
190: ok 6303 # correct ring bond data
190: ok 6304 # SSSR size matches reference
190: ok 6305 # correct SSSR count
190: ok 6306 # ring membership passed
190: ok 6307 # correct SSSR count
190: ok 6308 # ring membership passed
190: ok 6309 # correct SSSR count
190: ok 6310 # ring membership passed
190: ok 6311 # correct SSSR count
190: ok 6312 # ring membership passed
190: ok 6313 # correct SSSR count
190: ok 6314 # ring membership passed
190: ok 6315 # correct SSSR count
190: ok 6316 # ring membership passed
190: ok 6317 # correct SSSR count
190: ok 6318 # ring membership passed
190: ok 6319 # correct SSSR count
190: ok 6320 # ring membership passed
190: ok 6321 # correct SSSR count
190: ok 6322 # ring membership passed
190: ok 6323 # correct SSSR count
190: ok 6324 # ring membership passed
190: ok 6325 # correct SSSR count
190: ok 6326 # ring membership passed
190: ok 6327 # correct SSSR count
190: ok 6328 # ring membership passed
190: ok 6329 # correct SSSR count
190: ok 6330 # ring membership passed
190: ok 6331 # correct SSSR count
190: ok 6332 # ring membership passed
190: ok 6333 # correct SSSR count
190: ok 6334 # ring membership passed
190: ok 6335 # correct SSSR count
190: ok 6336 # ring membership passed
190: ok 6337 # correct SSSR count
190: ok 6338 # ring membership passed
190: ok 6339 # correct SSSR count
190: ok 6340 # ring membership passed
190: ok 6341 # correct SSSR count
190: ok 6342 # ring membership passed
190: ok 6343 # correct SSSR count
190: ok 6344 # ring membership passed
190: ok 6345 # correct SSSR count
190: ok 6346 # ring membership passed
190: ok 6347 # correct SSSR count
190: ok 6348 # ring membership passed
190: ok 6349 # correct SSSR count
190: ok 6350 # ring membership passed
190: ok 6351 # correct ring bond data
190: ok 6352 # correct ring bond data
190: ok 6353 # correct ring bond data
190: ok 6354 # correct ring bond data
190: ok 6355 # correct ring bond data
190: ok 6356 # correct ring bond data
190: ok 6357 # correct ring bond data
190: ok 6358 # correct ring bond data
190: ok 6359 # correct ring bond data
190: ok 6360 # correct ring bond data
190: ok 6361 # correct ring bond data
190: ok 6362 # correct ring bond data
190: ok 6363 # correct ring bond data
190: ok 6364 # correct ring bond data
190: ok 6365 # correct ring bond data
190: ok 6366 # correct ring bond data
190: ok 6367 # correct ring bond data
190: ok 6368 # correct ring bond data
190: ok 6369 # correct ring bond data
190: ok 6370 # correct ring bond data
190: ok 6371 # correct ring bond data
190: ok 6372 # SSSR size matches reference
190: ok 6373 # correct SSSR count
190: ok 6374 # ring membership passed
190: ok 6375 # correct SSSR count
190: ok 6376 # ring membership passed
190: ok 6377 # correct SSSR count
190: ok 6378 # ring membership passed
190: ok 6379 # correct SSSR count
190: ok 6380 # ring membership passed
190: ok 6381 # correct SSSR count
190: ok 6382 # ring membership passed
190: ok 6383 # correct SSSR count
190: ok 6384 # ring membership passed
190: ok 6385 # correct SSSR count
190: ok 6386 # ring membership passed
190: ok 6387 # correct SSSR count
190: ok 6388 # ring membership passed
190: ok 6389 # correct SSSR count
190: ok 6390 # ring membership passed
190: ok 6391 # correct SSSR count
190: ok 6392 # ring membership passed
190: ok 6393 # correct SSSR count
190: ok 6394 # ring membership passed
190: ok 6395 # correct SSSR count
190: ok 6396 # ring membership passed
190: ok 6397 # correct SSSR count
190: ok 6398 # ring membership passed
190: ok 6399 # correct SSSR count
190: ok 6400 # ring membership passed
190: ok 6401 # correct SSSR count
190: ok 6402 # ring membership passed
190: ok 6403 # correct SSSR count
190: ok 6404 # ring membership passed
190: ok 6405 # correct SSSR count
190: ok 6406 # ring membership passed
190: ok 6407 # correct SSSR count
190: ok 6408 # ring membership passed
190: ok 6409 # correct SSSR count
190: ok 6410 # ring membership passed
190: ok 6411 # correct SSSR count
190: ok 6412 # ring membership passed
190: ok 6413 # correct ring bond data
190: ok 6414 # correct ring bond data
190: ok 6415 # correct ring bond data
190: ok 6416 # correct ring bond data
190: ok 6417 # correct ring bond data
190: ok 6418 # correct ring bond data
190: ok 6419 # correct ring bond data
190: ok 6420 # correct ring bond data
190: ok 6421 # correct ring bond data
190: ok 6422 # correct ring bond data
190: ok 6423 # correct ring bond data
190: ok 6424 # correct ring bond data
190: ok 6425 # correct ring bond data
190: ok 6426 # correct ring bond data
190: ok 6427 # correct ring bond data
190: ok 6428 # correct ring bond data
190: ok 6429 # correct ring bond data
190: ok 6430 # correct ring bond data
190: ok 6431 # correct ring bond data
190: ok 6432 # correct ring bond data
190: ok 6433 # correct ring bond data
190: ok 6434 # correct ring bond data
190: ok 6435 # correct ring bond data
190: ok 6436 # correct ring bond data
190: ok 6437 # correct ring bond data
190: ok 6438 # correct ring bond data
190: ok 6439 # correct ring bond data
190: ok 6440 # SSSR size matches reference
190: ok 6441 # correct SSSR count
190: ok 6442 # ring membership passed
190: ok 6443 # correct SSSR count
190: ok 6444 # ring membership passed
190: ok 6445 # correct SSSR count
190: ok 6446 # ring membership passed
190: ok 6447 # correct SSSR count
190: ok 6448 # ring membership passed
190: ok 6449 # correct SSSR count
190: ok 6450 # ring membership passed
190: ok 6451 # correct SSSR count
190: ok 6452 # ring membership passed
190: ok 6453 # correct SSSR count
190: ok 6454 # ring membership passed
190: ok 6455 # correct SSSR count
190: ok 6456 # ring membership passed
190: ok 6457 # correct SSSR count
190: ok 6458 # ring membership passed
190: ok 6459 # correct SSSR count
190: ok 6460 # ring membership passed
190: ok 6461 # correct SSSR count
190: ok 6462 # ring membership passed
190: ok 6463 # correct SSSR count
190: ok 6464 # ring membership passed
190: ok 6465 # correct SSSR count
190: ok 6466 # ring membership passed
190: ok 6467 # correct SSSR count
190: ok 6468 # ring membership passed
190: ok 6469 # correct SSSR count
190: ok 6470 # ring membership passed
190: ok 6471 # correct SSSR count
190: ok 6472 # ring membership passed
190: ok 6473 # correct SSSR count
190: ok 6474 # ring membership passed
190: ok 6475 # correct SSSR count
190: ok 6476 # ring membership passed
190: ok 6477 # correct SSSR count
190: ok 6478 # ring membership passed
190: ok 6479 # correct SSSR count
190: ok 6480 # ring membership passed
190: ok 6481 # correct SSSR count
190: ok 6482 # ring membership passed
190: ok 6483 # correct SSSR count
190: ok 6484 # ring membership passed
190: ok 6485 # correct SSSR count
190: ok 6486 # ring membership passed
190: ok 6487 # correct SSSR count
190: ok 6488 # ring membership passed
190: ok 6489 # correct SSSR count
190: ok 6490 # ring membership passed
190: ok 6491 # correct ring bond data
190: ok 6492 # correct ring bond data
190: ok 6493 # correct ring bond data
190: ok 6494 # correct ring bond data
190: ok 6495 # correct ring bond data
190: ok 6496 # correct ring bond data
190: ok 6497 # correct ring bond data
190: ok 6498 # correct ring bond data
190: ok 6499 # correct ring bond data
190: ok 6500 # correct ring bond data
190: ok 6501 # correct ring bond data
190: ok 6502 # correct ring bond data
190: ok 6503 # correct ring bond data
190: ok 6504 # correct ring bond data
190: ok 6505 # correct ring bond data
190: ok 6506 # SSSR size matches reference
190: ok 6507 # correct SSSR count
190: ok 6508 # ring membership passed
190: ok 6509 # correct SSSR count
190: ok 6510 # ring membership passed
190: ok 6511 # correct SSSR count
190: ok 6512 # ring membership passed
190: ok 6513 # correct SSSR count
190: ok 6514 # ring membership passed
190: ok 6515 # correct SSSR count
190: ok 6516 # ring membership passed
190: ok 6517 # correct SSSR count
190: ok 6518 # ring membership passed
190: ok 6519 # correct SSSR count
190: ok 6520 # ring membership passed
190: ok 6521 # correct SSSR count
190: ok 6522 # ring membership passed
190: ok 6523 # correct SSSR count
190: ok 6524 # ring membership passed
190: ok 6525 # correct SSSR count
190: ok 6526 # ring membership passed
190: ok 6527 # correct SSSR count
190: ok 6528 # ring membership passed
190: ok 6529 # correct SSSR count
190: ok 6530 # ring membership passed
190: ok 6531 # correct SSSR count
190: ok 6532 # ring membership passed
190: ok 6533 # correct SSSR count
190: ok 6534 # ring membership passed
190: ok 6535 # correct SSSR count
190: ok 6536 # ring membership passed
190: ok 6537 # correct ring bond data
190: ok 6538 # correct ring bond data
190: ok 6539 # correct ring bond data
190: ok 6540 # correct ring bond data
190: ok 6541 # correct ring bond data
190: ok 6542 # correct ring bond data
190: ok 6543 # correct ring bond data
190: ok 6544 # correct ring bond data
190: ok 6545 # correct ring bond data
190: ok 6546 # correct ring bond data
190: ok 6547 # correct ring bond data
190: ok 6548 # correct ring bond data
190: ok 6549 # correct ring bond data
190: ok 6550 # correct ring bond data
190: ok 6551 # correct ring bond data
190: ok 6552 # correct ring bond data
190: ok 6553 # correct ring bond data
190: ok 6554 # correct ring bond data
190: ok 6555 # correct ring bond data
190: ok 6556 # correct ring bond data
190: ok 6557 # SSSR size matches reference
190: ok 6558 # correct SSSR count
190: ok 6559 # ring membership passed
190: ok 6560 # correct SSSR count
190: ok 6561 # ring membership passed
190: ok 6562 # correct SSSR count
190: ok 6563 # ring membership passed
190: ok 6564 # correct SSSR count
190: ok 6565 # ring membership passed
190: ok 6566 # correct SSSR count
190: ok 6567 # ring membership passed
190: ok 6568 # correct SSSR count
190: ok 6569 # ring membership passed
190: ok 6570 # correct SSSR count
190: ok 6571 # ring membership passed
190: ok 6572 # correct SSSR count
190: ok 6573 # ring membership passed
190: ok 6574 # correct SSSR count
190: ok 6575 # ring membership passed
190: ok 6576 # correct SSSR count
190: ok 6577 # ring membership passed
190: ok 6578 # correct SSSR count
190: ok 6579 # ring membership passed
190: ok 6580 # correct SSSR count
190: ok 6581 # ring membership passed
190: ok 6582 # correct SSSR count
190: ok 6583 # ring membership passed
190: ok 6584 # correct SSSR count
190: ok 6585 # ring membership passed
190: ok 6586 # correct SSSR count
190: ok 6587 # ring membership passed
190: ok 6588 # correct SSSR count
190: ok 6589 # ring membership passed
190: ok 6590 # correct SSSR count
190: ok 6591 # ring membership passed
190: ok 6592 # correct SSSR count
190: ok 6593 # ring membership passed
190: ok 6594 # correct SSSR count
190: ok 6595 # ring membership passed
190: ok 6596 # correct ring bond data
190: ok 6597 # correct ring bond data
190: ok 6598 # correct ring bond data
190: ok 6599 # correct ring bond data
190: ok 6600 # correct ring bond data
190: ok 6601 # correct ring bond data
190: ok 6602 # correct ring bond data
190: ok 6603 # correct ring bond data
190: ok 6604 # correct ring bond data
190: ok 6605 # correct ring bond data
190: ok 6606 # correct ring bond data
190: ok 6607 # correct ring bond data
190: ok 6608 # correct ring bond data
190: ok 6609 # correct ring bond data
190: ok 6610 # SSSR size matches reference
190: ok 6611 # correct SSSR count
190: ok 6612 # ring membership passed
190: ok 6613 # correct SSSR count
190: ok 6614 # ring membership passed
190: ok 6615 # correct SSSR count
190: ok 6616 # ring membership passed
190: ok 6617 # correct SSSR count
190: ok 6618 # ring membership passed
190: ok 6619 # correct SSSR count
190: ok 6620 # ring membership passed
190: ok 6621 # correct SSSR count
190: ok 6622 # ring membership passed
190: ok 6623 # correct SSSR count
190: ok 6624 # ring membership passed
190: ok 6625 # correct SSSR count
190: ok 6626 # ring membership passed
190: ok 6627 # correct SSSR count
190: ok 6628 # ring membership passed
190: ok 6629 # correct SSSR count
190: ok 6630 # ring membership passed
190: ok 6631 # correct SSSR count
190: ok 6632 # ring membership passed
190: ok 6633 # correct SSSR count
190: ok 6634 # ring membership passed
190: ok 6635 # correct SSSR count
190: ok 6636 # ring membership passed
190: ok 6637 # correct SSSR count
190: ok 6638 # ring membership passed
190: ok 6639 # correct ring bond data
190: ok 6640 # correct ring bond data
190: ok 6641 # correct ring bond data
190: ok 6642 # correct ring bond data
190: ok 6643 # correct ring bond data
190: ok 6644 # correct ring bond data
190: ok 6645 # correct ring bond data
190: ok 6646 # correct ring bond data
190: ok 6647 # correct ring bond data
190: ok 6648 # correct ring bond data
190: ok 6649 # correct ring bond data
190: ok 6650 # correct ring bond data
190: ok 6651 # correct ring bond data
190: ok 6652 # correct ring bond data
190: ok 6653 # SSSR size matches reference
190: ok 6654 # correct SSSR count
190: ok 6655 # ring membership passed
190: ok 6656 # correct SSSR count
190: ok 6657 # ring membership passed
190: ok 6658 # correct SSSR count
190: ok 6659 # ring membership passed
190: ok 6660 # correct SSSR count
190: ok 6661 # ring membership passed
190: ok 6662 # correct SSSR count
190: ok 6663 # ring membership passed
190: ok 6664 # correct SSSR count
190: ok 6665 # ring membership passed
190: ok 6666 # correct SSSR count
190: ok 6667 # ring membership passed
190: ok 6668 # correct SSSR count
190: ok 6669 # ring membership passed
190: ok 6670 # correct SSSR count
190: ok 6671 # ring membership passed
190: ok 6672 # correct SSSR count
190: ok 6673 # ring membership passed
190: ok 6674 # correct SSSR count
190: ok 6675 # ring membership passed
190: ok 6676 # correct SSSR count
190: ok 6677 # ring membership passed
190: ok 6678 # correct SSSR count
190: ok 6679 # ring membership passed
190: ok 6680 # correct SSSR count
190: ok 6681 # ring membership passed
190: ok 6682 # correct ring bond data
190: ok 6683 # correct ring bond data
190: ok 6684 # correct ring bond data
190: ok 6685 # correct ring bond data
190: ok 6686 # correct ring bond data
190: ok 6687 # correct ring bond data
190: ok 6688 # correct ring bond data
190: ok 6689 # correct ring bond data
190: ok 6690 # correct ring bond data
190: ok 6691 # correct ring bond data
190: ok 6692 # correct ring bond data
190: ok 6693 # correct ring bond data
190: ok 6694 # correct ring bond data
190: ok 6695 # correct ring bond data
190: ok 6696 # correct ring bond data
190: ok 6697 # correct ring bond data
190: ok 6698 # correct ring bond data
190: ok 6699 # SSSR size matches reference
190: ok 6700 # correct SSSR count
190: ok 6701 # ring membership passed
190: ok 6702 # correct SSSR count
190: ok 6703 # ring membership passed
190: ok 6704 # correct SSSR count
190: ok 6705 # ring membership passed
190: ok 6706 # correct SSSR count
190: ok 6707 # ring membership passed
190: ok 6708 # correct SSSR count
190: ok 6709 # ring membership passed
190: ok 6710 # correct SSSR count
190: ok 6711 # ring membership passed
190: ok 6712 # correct SSSR count
190: ok 6713 # ring membership passed
190: ok 6714 # correct SSSR count
190: ok 6715 # ring membership passed
190: ok 6716 # correct SSSR count
190: ok 6717 # ring membership passed
190: ok 6718 # correct SSSR count
190: ok 6719 # ring membership passed
190: ok 6720 # correct SSSR count
190: ok 6721 # ring membership passed
190: ok 6722 # correct SSSR count
190: ok 6723 # ring membership passed
190: ok 6724 # correct SSSR count
190: ok 6725 # ring membership passed
190: ok 6726 # correct SSSR count
190: ok 6727 # ring membership passed
190: ok 6728 # correct SSSR count
190: ok 6729 # ring membership passed
190: ok 6730 # correct SSSR count
190: ok 6731 # ring membership passed
190: ok 6732 # correct SSSR count
190: ok 6733 # ring membership passed
190: ok 6734 # correct ring bond data
190: ok 6735 # correct ring bond data
190: ok 6736 # correct ring bond data
190: ok 6737 # correct ring bond data
190: ok 6738 # correct ring bond data
190: ok 6739 # correct ring bond data
190: ok 6740 # correct ring bond data
190: ok 6741 # correct ring bond data
190: ok 6742 # correct ring bond data
190: ok 6743 # correct ring bond data
190: ok 6744 # correct ring bond data
190: ok 6745 # correct ring bond data
190: ok 6746 # correct ring bond data
190: ok 6747 # correct ring bond data
190: ok 6748 # correct ring bond data
190: ok 6749 # correct ring bond data
190: ok 6750 # correct ring bond data
190: ok 6751 # correct ring bond data
190: ok 6752 # correct ring bond data
190: ok 6753 # correct ring bond data
190: ok 6754 # correct ring bond data
190: ok 6755 # correct ring bond data
190: ok 6756 # correct ring bond data
190: ok 6757 # correct ring bond data
190: ok 6758 # correct ring bond data
190: ok 6759 # correct ring bond data
190: ok 6760 # correct ring bond data
190: ok 6761 # correct ring bond data
190: ok 6762 # SSSR size matches reference
190: ok 6763 # correct SSSR count
190: ok 6764 # ring membership passed
190: ok 6765 # correct SSSR count
190: ok 6766 # ring membership passed
190: ok 6767 # correct SSSR count
190: ok 6768 # ring membership passed
190: ok 6769 # correct SSSR count
190: ok 6770 # ring membership passed
190: ok 6771 # correct SSSR count
190: ok 6772 # ring membership passed
190: ok 6773 # correct SSSR count
190: ok 6774 # ring membership passed
190: ok 6775 # correct SSSR count
190: ok 6776 # ring membership passed
190: ok 6777 # correct SSSR count
190: ok 6778 # ring membership passed
190: ok 6779 # correct SSSR count
190: ok 6780 # ring membership passed
190: ok 6781 # correct SSSR count
190: ok 6782 # ring membership passed
190: ok 6783 # correct SSSR count
190: ok 6784 # ring membership passed
190: ok 6785 # correct SSSR count
190: ok 6786 # ring membership passed
190: ok 6787 # correct SSSR count
190: ok 6788 # ring membership passed
190: ok 6789 # correct SSSR count
190: ok 6790 # ring membership passed
190: ok 6791 # correct SSSR count
190: ok 6792 # ring membership passed
190: ok 6793 # correct SSSR count
190: ok 6794 # ring membership passed
190: ok 6795 # correct SSSR count
190: ok 6796 # ring membership passed
190: ok 6797 # correct SSSR count
190: ok 6798 # ring membership passed
190: ok 6799 # correct SSSR count
190: ok 6800 # ring membership passed
190: ok 6801 # correct SSSR count
190: ok 6802 # ring membership passed
190: ok 6803 # correct SSSR count
190: ok 6804 # ring membership passed
190: ok 6805 # correct SSSR count
190: ok 6806 # ring membership passed
190: ok 6807 # correct SSSR count
190: ok 6808 # ring membership passed
190: ok 6809 # correct SSSR count
190: ok 6810 # ring membership passed
190: ok 6811 # correct SSSR count
190: ok 6812 # ring membership passed
190: ok 6813 # correct SSSR count
190: ok 6814 # ring membership passed
190: ok 6815 # correct ring bond data
190: ok 6816 # correct ring bond data
190: ok 6817 # correct ring bond data
190: ok 6818 # correct ring bond data
190: ok 6819 # correct ring bond data
190: ok 6820 # correct ring bond data
190: ok 6821 # correct ring bond data
190: ok 6822 # correct ring bond data
190: ok 6823 # correct ring bond data
190: ok 6824 # correct ring bond data
190: ok 6825 # correct ring bond data
190: ok 6826 # correct ring bond data
190: ok 6827 # correct ring bond data
190: ok 6828 # correct ring bond data
190: ok 6829 # correct ring bond data
190: ok 6830 # correct ring bond data
190: ok 6831 # correct ring bond data
190: ok 6832 # correct ring bond data
190: ok 6833 # correct ring bond data
190: ok 6834 # correct ring bond data
190: ok 6835 # correct ring bond data
190: ok 6836 # correct ring bond data
190: ok 6837 # correct ring bond data
190: ok 6838 # correct ring bond data
190: ok 6839 # correct ring bond data
190: ok 6840 # correct ring bond data
190: ok 6841 # SSSR size matches reference
190: ok 6842 # correct SSSR count
190: ok 6843 # ring membership passed
190: ok 6844 # correct SSSR count
190: ok 6845 # ring membership passed
190: ok 6846 # correct SSSR count
190: ok 6847 # ring membership passed
190: ok 6848 # correct SSSR count
190: ok 6849 # ring membership passed
190: ok 6850 # correct SSSR count
190: ok 6851 # ring membership passed
190: ok 6852 # correct SSSR count
190: ok 6853 # ring membership passed
190: ok 6854 # correct SSSR count
190: ok 6855 # ring membership passed
190: ok 6856 # correct SSSR count
190: ok 6857 # ring membership passed
190: ok 6858 # correct SSSR count
190: ok 6859 # ring membership passed
190: ok 6860 # correct SSSR count
190: ok 6861 # ring membership passed
190: ok 6862 # correct SSSR count
190: ok 6863 # ring membership passed
190: ok 6864 # correct SSSR count
190: ok 6865 # ring membership passed
190: ok 6866 # correct SSSR count
190: ok 6867 # ring membership passed
190: ok 6868 # correct SSSR count
190: ok 6869 # ring membership passed
190: ok 6870 # correct SSSR count
190: ok 6871 # ring membership passed
190: ok 6872 # correct SSSR count
190: ok 6873 # ring membership passed
190: ok 6874 # correct SSSR count
190: ok 6875 # ring membership passed
190: ok 6876 # correct SSSR count
190: ok 6877 # ring membership passed
190: ok 6878 # correct SSSR count
190: ok 6879 # ring membership passed
190: ok 6880 # correct SSSR count
190: ok 6881 # ring membership passed
190: ok 6882 # correct SSSR count
190: ok 6883 # ring membership passed
190: ok 6884 # correct SSSR count
190: ok 6885 # ring membership passed
190: ok 6886 # correct SSSR count
190: ok 6887 # ring membership passed
190: ok 6888 # correct SSSR count
190: ok 6889 # ring membership passed
190: ok 6890 # correct ring bond data
190: ok 6891 # correct ring bond data
190: ok 6892 # correct ring bond data
190: ok 6893 # correct ring bond data
190: ok 6894 # correct ring bond data
190: ok 6895 # correct ring bond data
190: ok 6896 # correct ring bond data
190: ok 6897 # correct ring bond data
190: ok 6898 # correct ring bond data
190: ok 6899 # correct ring bond data
190: ok 6900 # correct ring bond data
190: ok 6901 # correct ring bond data
190: ok 6902 # correct ring bond data
190: ok 6903 # correct ring bond data
190: ok 6904 # SSSR size matches reference
190: ok 6905 # correct SSSR count
190: ok 6906 # ring membership passed
190: ok 6907 # correct SSSR count
190: ok 6908 # ring membership passed
190: ok 6909 # correct SSSR count
190: ok 6910 # ring membership passed
190: ok 6911 # correct SSSR count
190: ok 6912 # ring membership passed
190: ok 6913 # correct SSSR count
190: ok 6914 # ring membership passed
190: ok 6915 # correct SSSR count
190: ok 6916 # ring membership passed
190: ok 6917 # correct SSSR count
190: ok 6918 # ring membership passed
190: ok 6919 # correct SSSR count
190: ok 6920 # ring membership passed
190: ok 6921 # correct SSSR count
190: ok 6922 # ring membership passed
190: ok 6923 # correct SSSR count
190: ok 6924 # ring membership passed
190: ok 6925 # correct SSSR count
190: ok 6926 # ring membership passed
190: ok 6927 # correct SSSR count
190: ok 6928 # ring membership passed
190: ok 6929 # correct SSSR count
190: ok 6930 # ring membership passed
190: ok 6931 # correct SSSR count
190: ok 6932 # ring membership passed
190: ok 6933 # correct ring bond data
190: ok 6934 # correct ring bond data
190: ok 6935 # correct ring bond data
190: ok 6936 # correct ring bond data
190: ok 6937 # correct ring bond data
190: ok 6938 # correct ring bond data
190: ok 6939 # correct ring bond data
190: ok 6940 # correct ring bond data
190: ok 6941 # correct ring bond data
190: ok 6942 # correct ring bond data
190: ok 6943 # correct ring bond data
190: ok 6944 # correct ring bond data
190: ok 6945 # correct ring bond data
190: ok 6946 # correct ring bond data
190: ok 6947 # correct ring bond data
190: ok 6948 # correct ring bond data
190: ok 6949 # correct ring bond data
190: ok 6950 # correct ring bond data
190: ok 6951 # SSSR size matches reference
190: ok 6952 # correct SSSR count
190: ok 6953 # ring membership passed
190: ok 6954 # correct SSSR count
190: ok 6955 # ring membership passed
190: ok 6956 # correct SSSR count
190: ok 6957 # ring membership passed
190: ok 6958 # correct SSSR count
190: ok 6959 # ring membership passed
190: ok 6960 # correct SSSR count
190: ok 6961 # ring membership passed
190: ok 6962 # correct SSSR count
190: ok 6963 # ring membership passed
190: ok 6964 # correct SSSR count
190: ok 6965 # ring membership passed
190: ok 6966 # correct SSSR count
190: ok 6967 # ring membership passed
190: ok 6968 # correct SSSR count
190: ok 6969 # ring membership passed
190: ok 6970 # correct SSSR count
190: ok 6971 # ring membership passed
190: ok 6972 # correct SSSR count
190: ok 6973 # ring membership passed
190: ok 6974 # correct SSSR count
190: ok 6975 # ring membership passed
190: ok 6976 # correct SSSR count
190: ok 6977 # ring membership passed
190: ok 6978 # correct SSSR count
190: ok 6979 # ring membership passed
190: ok 6980 # correct SSSR count
190: ok 6981 # ring membership passed
190: ok 6982 # correct SSSR count
190: ok 6983 # ring membership passed
190: ok 6984 # correct SSSR count
190: ok 6985 # ring membership passed
190: ok 6986 # correct SSSR count
190: ok 6987 # ring membership passed
190: ok 6988 # correct ring bond data
190: ok 6989 # correct ring bond data
190: ok 6990 # correct ring bond data
190: ok 6991 # correct ring bond data
190: ok 6992 # correct ring bond data
190: ok 6993 # correct ring bond data
190: ok 6994 # correct ring bond data
190: ok 6995 # correct ring bond data
190: ok 6996 # correct ring bond data
190: ok 6997 # correct ring bond data
190: ok 6998 # correct ring bond data
190: ok 6999 # correct ring bond data
190: ok 7000 # correct ring bond data
190: ok 7001 # correct ring bond data
190: ok 7002 # correct ring bond data
190: ok 7003 # correct ring bond data
190: ok 7004 # correct ring bond data
190: ok 7005 # correct ring bond data
190: ok 7006 # correct ring bond data
190: ok 7007 # correct ring bond data
190: ok 7008 # correct ring bond data
190: ok 7009 # SSSR size matches reference
190: ok 7010 # correct SSSR count
190: ok 7011 # ring membership passed
190: ok 7012 # correct SSSR count
190: ok 7013 # ring membership passed
190: ok 7014 # correct SSSR count
190: ok 7015 # ring membership passed
190: ok 7016 # correct SSSR count
190: ok 7017 # ring membership passed
190: ok 7018 # correct SSSR count
190: ok 7019 # ring membership passed
190: ok 7020 # correct SSSR count
190: ok 7021 # ring membership passed
190: ok 7022 # correct SSSR count
190: ok 7023 # ring membership passed
190: ok 7024 # correct SSSR count
190: ok 7025 # ring membership passed
190: ok 7026 # correct SSSR count
190: ok 7027 # ring membership passed
190: ok 7028 # correct SSSR count
190: ok 7029 # ring membership passed
190: ok 7030 # correct SSSR count
190: ok 7031 # ring membership passed
190: ok 7032 # correct SSSR count
190: ok 7033 # ring membership passed
190: ok 7034 # correct SSSR count
190: ok 7035 # ring membership passed
190: ok 7036 # correct SSSR count
190: ok 7037 # ring membership passed
190: ok 7038 # correct SSSR count
190: ok 7039 # ring membership passed
190: ok 7040 # correct SSSR count
190: ok 7041 # ring membership passed
190: ok 7042 # correct SSSR count
190: ok 7043 # ring membership passed
190: ok 7044 # correct SSSR count
190: ok 7045 # ring membership passed
190: ok 7046 # correct SSSR count
190: ok 7047 # ring membership passed
190: ok 7048 # correct SSSR count
190: ok 7049 # ring membership passed
190: ok 7050 # correct ring bond data
190: ok 7051 # correct ring bond data
190: ok 7052 # correct ring bond data
190: ok 7053 # correct ring bond data
190: ok 7054 # correct ring bond data
190: ok 7055 # correct ring bond data
190: ok 7056 # correct ring bond data
190: ok 7057 # correct ring bond data
190: ok 7058 # correct ring bond data
190: ok 7059 # correct ring bond data
190: ok 7060 # correct ring bond data
190: ok 7061 # correct ring bond data
190: ok 7062 # correct ring bond data
190: ok 7063 # correct ring bond data
190: ok 7064 # correct ring bond data
190: ok 7065 # correct ring bond data
190: ok 7066 # correct ring bond data
190: ok 7067 # correct ring bond data
190: ok 7068 # correct ring bond data
190: ok 7069 # correct ring bond data
190: ok 7070 # correct ring bond data
190: ok 7071 # correct ring bond data
190: ok 7072 # correct ring bond data
190: ok 7073 # SSSR size matches reference
190: ok 7074 # correct SSSR count
190: ok 7075 # ring membership passed
190: ok 7076 # correct SSSR count
190: ok 7077 # ring membership passed
190: ok 7078 # correct SSSR count
190: ok 7079 # ring membership passed
190: ok 7080 # correct SSSR count
190: ok 7081 # ring membership passed
190: ok 7082 # correct SSSR count
190: ok 7083 # ring membership passed
190: ok 7084 # correct SSSR count
190: ok 7085 # ring membership passed
190: ok 7086 # correct SSSR count
190: ok 7087 # ring membership passed
190: ok 7088 # correct SSSR count
190: ok 7089 # ring membership passed
190: ok 7090 # correct SSSR count
190: ok 7091 # ring membership passed
190: ok 7092 # correct SSSR count
190: ok 7093 # ring membership passed
190: ok 7094 # correct SSSR count
190: ok 7095 # ring membership passed
190: ok 7096 # correct SSSR count
190: ok 7097 # ring membership passed
190: ok 7098 # correct SSSR count
190: ok 7099 # ring membership passed
190: ok 7100 # correct SSSR count
190: ok 7101 # ring membership passed
190: ok 7102 # correct SSSR count
190: ok 7103 # ring membership passed
190: ok 7104 # correct SSSR count
190: ok 7105 # ring membership passed
190: ok 7106 # correct SSSR count
190: ok 7107 # ring membership passed
190: ok 7108 # correct SSSR count
190: ok 7109 # ring membership passed
190: ok 7110 # correct SSSR count
190: ok 7111 # ring membership passed
190: ok 7112 # correct SSSR count
190: ok 7113 # ring membership passed
190: ok 7114 # correct ring bond data
190: ok 7115 # correct ring bond data
190: ok 7116 # correct ring bond data
190: ok 7117 # correct ring bond data
190: ok 7118 # correct ring bond data
190: ok 7119 # correct ring bond data
190: ok 7120 # correct ring bond data
190: ok 7121 # correct ring bond data
190: ok 7122 # correct ring bond data
190: ok 7123 # correct ring bond data
190: ok 7124 # correct ring bond data
190: ok 7125 # SSSR size matches reference
190: ok 7126 # correct SSSR count
190: ok 7127 # ring membership passed
190: ok 7128 # correct SSSR count
190: ok 7129 # ring membership passed
190: ok 7130 # correct SSSR count
190: ok 7131 # ring membership passed
190: ok 7132 # correct SSSR count
190: ok 7133 # ring membership passed
190: ok 7134 # correct SSSR count
190: ok 7135 # ring membership passed
190: ok 7136 # correct SSSR count
190: ok 7137 # ring membership passed
190: ok 7138 # correct SSSR count
190: ok 7139 # ring membership passed
190: ok 7140 # correct SSSR count
190: ok 7141 # ring membership passed
190: ok 7142 # correct SSSR count
190: ok 7143 # ring membership passed
190: ok 7144 # correct SSSR count
190: ok 7145 # ring membership passed
190: ok 7146 # correct SSSR count
190: ok 7147 # ring membership passed
190: ok 7148 # correct SSSR count
190: ok 7149 # ring membership passed
190: ok 7150 # correct ring bond data
190: ok 7151 # correct ring bond data
190: ok 7152 # correct ring bond data
190: ok 7153 # correct ring bond data
190: ok 7154 # correct ring bond data
190: ok 7155 # correct ring bond data
190: ok 7156 # correct ring bond data
190: ok 7157 # correct ring bond data
190: ok 7158 # correct ring bond data
190: ok 7159 # correct ring bond data
190: ok 7160 # correct ring bond data
190: ok 7161 # correct ring bond data
190: ok 7162 # correct ring bond data
190: ok 7163 # correct ring bond data
190: ok 7164 # correct ring bond data
190: ok 7165 # correct ring bond data
190: ok 7166 # correct ring bond data
190: ok 7167 # correct ring bond data
190: ok 7168 # correct ring bond data
190: ok 7169 # correct ring bond data
190: ok 7170 # correct ring bond data
190: ok 7171 # correct ring bond data
190: ok 7172 # correct ring bond data
190: ok 7173 # correct ring bond data
190: ok 7174 # correct ring bond data
190: ok 7175 # correct ring bond data
190: ok 7176 # correct ring bond data
190: ok 7177 # correct ring bond data
190: ok 7178 # correct ring bond data
190: ok 7179 # correct ring bond data
190: ok 7180 # SSSR size matches reference
190: ok 7181 # correct SSSR count
190: ok 7182 # ring membership passed
190: ok 7183 # correct SSSR count
190: ok 7184 # ring membership passed
190: ok 7185 # correct SSSR count
190: ok 7186 # ring membership passed
190: ok 7187 # correct SSSR count
190: ok 7188 # ring membership passed
190: ok 7189 # correct SSSR count
190: ok 7190 # ring membership passed
190: ok 7191 # correct SSSR count
190: ok 7192 # ring membership passed
190: ok 7193 # correct SSSR count
190: ok 7194 # ring membership passed
190: ok 7195 # correct SSSR count
190: ok 7196 # ring membership passed
190: ok 7197 # correct SSSR count
190: ok 7198 # ring membership passed
190: ok 7199 # correct SSSR count
190: ok 7200 # ring membership passed
190: ok 7201 # correct SSSR count
190: ok 7202 # ring membership passed
190: ok 7203 # correct SSSR count
190: ok 7204 # ring membership passed
190: ok 7205 # correct SSSR count
190: ok 7206 # ring membership passed
190: ok 7207 # correct SSSR count
190: ok 7208 # ring membership passed
190: ok 7209 # correct SSSR count
190: ok 7210 # ring membership passed
190: ok 7211 # correct SSSR count
190: ok 7212 # ring membership passed
190: ok 7213 # correct SSSR count
190: ok 7214 # ring membership passed
190: ok 7215 # correct SSSR count
190: ok 7216 # ring membership passed
190: ok 7217 # correct SSSR count
190: ok 7218 # ring membership passed
190: ok 7219 # correct SSSR count
190: ok 7220 # ring membership passed
190: ok 7221 # correct SSSR count
190: ok 7222 # ring membership passed
190: ok 7223 # correct SSSR count
190: ok 7224 # ring membership passed
190: ok 7225 # correct SSSR count
190: ok 7226 # ring membership passed
190: ok 7227 # correct SSSR count
190: ok 7228 # ring membership passed
190: ok 7229 # correct SSSR count
190: ok 7230 # ring membership passed
190: ok 7231 # correct SSSR count
190: ok 7232 # ring membership passed
190: ok 7233 # correct ring bond data
190: ok 7234 # correct ring bond data
190: ok 7235 # correct ring bond data
190: ok 7236 # correct ring bond data
190: ok 7237 # correct ring bond data
190: ok 7238 # correct ring bond data
190: ok 7239 # correct ring bond data
190: ok 7240 # correct ring bond data
190: ok 7241 # correct ring bond data
190: ok 7242 # correct ring bond data
190: ok 7243 # correct ring bond data
190: ok 7244 # correct ring bond data
190: ok 7245 # SSSR size matches reference
190: ok 7246 # correct SSSR count
190: ok 7247 # ring membership passed
190: ok 7248 # correct SSSR count
190: ok 7249 # ring membership passed
190: ok 7250 # correct SSSR count
190: ok 7251 # ring membership passed
190: ok 7252 # correct SSSR count
190: ok 7253 # ring membership passed
190: ok 7254 # correct SSSR count
190: ok 7255 # ring membership passed
190: ok 7256 # correct SSSR count
190: ok 7257 # ring membership passed
190: ok 7258 # correct SSSR count
190: ok 7259 # ring membership passed
190: ok 7260 # correct SSSR count
190: ok 7261 # ring membership passed
190: ok 7262 # correct SSSR count
190: ok 7263 # ring membership passed
190: ok 7264 # correct SSSR count
190: ok 7265 # ring membership passed
190: ok 7266 # correct SSSR count
190: ok 7267 # ring membership passed
190: ok 7268 # correct ring bond data
190: ok 7269 # correct ring bond data
190: ok 7270 # correct ring bond data
190: ok 7271 # correct ring bond data
190: ok 7272 # correct ring bond data
190: ok 7273 # correct ring bond data
190: ok 7274 # correct ring bond data
190: ok 7275 # correct ring bond data
190: ok 7276 # correct ring bond data
190: ok 7277 # correct ring bond data
190: ok 7278 # correct ring bond data
190: ok 7279 # correct ring bond data
190: ok 7280 # correct ring bond data
190: ok 7281 # correct ring bond data
190: ok 7282 # correct ring bond data
190: ok 7283 # correct ring bond data
190: ok 7284 # correct ring bond data
190: ok 7285 # correct ring bond data
190: ok 7286 # correct ring bond data
190: ok 7287 # correct ring bond data
190: ok 7288 # correct ring bond data
190: ok 7289 # correct ring bond data
190: ok 7290 # correct ring bond data
190: ok 7291 # SSSR size matches reference
190: ok 7292 # correct SSSR count
190: ok 7293 # ring membership passed
190: ok 7294 # correct SSSR count
190: ok 7295 # ring membership passed
190: ok 7296 # correct SSSR count
190: ok 7297 # ring membership passed
190: ok 7298 # correct SSSR count
190: ok 7299 # ring membership passed
190: ok 7300 # correct SSSR count
190: ok 7301 # ring membership passed
190: ok 7302 # correct SSSR count
190: ok 7303 # ring membership passed
190: ok 7304 # correct SSSR count
190: ok 7305 # ring membership passed
190: ok 7306 # correct SSSR count
190: ok 7307 # ring membership passed
190: ok 7308 # correct SSSR count
190: ok 7309 # ring membership passed
190: ok 7310 # correct SSSR count
190: ok 7311 # ring membership passed
190: ok 7312 # correct SSSR count
190: ok 7313 # ring membership passed
190: ok 7314 # correct SSSR count
190: ok 7315 # ring membership passed
190: ok 7316 # correct SSSR count
190: ok 7317 # ring membership passed
190: ok 7318 # correct SSSR count
190: ok 7319 # ring membership passed
190: ok 7320 # correct SSSR count
190: ok 7321 # ring membership passed
190: ok 7322 # correct SSSR count
190: ok 7323 # ring membership passed
190: ok 7324 # correct SSSR count
190: ok 7325 # ring membership passed
190: ok 7326 # correct SSSR count
190: ok 7327 # ring membership passed
190: ok 7328 # correct SSSR count
190: ok 7329 # ring membership passed
190: ok 7330 # correct SSSR count
190: ok 7331 # ring membership passed
190: ok 7332 # correct ring bond data
190: ok 7333 # correct ring bond data
190: ok 7334 # correct ring bond data
190: ok 7335 # correct ring bond data
190: ok 7336 # correct ring bond data
190: ok 7337 # correct ring bond data
190: ok 7338 # correct ring bond data
190: ok 7339 # correct ring bond data
190: ok 7340 # correct ring bond data
190: ok 7341 # correct ring bond data
190: ok 7342 # correct ring bond data
190: ok 7343 # correct ring bond data
190: ok 7344 # correct ring bond data
190: ok 7345 # SSSR size matches reference
190: ok 7346 # correct SSSR count
190: ok 7347 # ring membership passed
190: ok 7348 # correct SSSR count
190: ok 7349 # ring membership passed
190: ok 7350 # correct SSSR count
190: ok 7351 # ring membership passed
190: ok 7352 # correct SSSR count
190: ok 7353 # ring membership passed
190: ok 7354 # correct SSSR count
190: ok 7355 # ring membership passed
190: ok 7356 # correct SSSR count
190: ok 7357 # ring membership passed
190: ok 7358 # correct SSSR count
190: ok 7359 # ring membership passed
190: ok 7360 # correct SSSR count
190: ok 7361 # ring membership passed
190: ok 7362 # correct SSSR count
190: ok 7363 # ring membership passed
190: ok 7364 # correct SSSR count
190: ok 7365 # ring membership passed
190: ok 7366 # correct SSSR count
190: ok 7367 # ring membership passed
190: ok 7368 # correct SSSR count
190: ok 7369 # ring membership passed
190: ok 7370 # correct SSSR count
190: ok 7371 # ring membership passed
190: ok 7372 # correct SSSR count
190: ok 7373 # ring membership passed
190: ok 7374 # correct ring bond data
190: ok 7375 # correct ring bond data
190: ok 7376 # correct ring bond data
190: ok 7377 # correct ring bond data
190: ok 7378 # correct ring bond data
190: ok 7379 # correct ring bond data
190: ok 7380 # correct ring bond data
190: ok 7381 # correct ring bond data
190: ok 7382 # correct ring bond data
190: ok 7383 # correct ring bond data
190: ok 7384 # correct ring bond data
190: ok 7385 # correct ring bond data
190: ok 7386 # correct ring bond data
190: ok 7387 # correct ring bond data
190: ok 7388 # correct ring bond data
190: ok 7389 # correct ring bond data
190: ok 7390 # correct ring bond data
190: ok 7391 # correct ring bond data
190: ok 7392 # correct ring bond data
190: ok 7393 # correct ring bond data
190: ok 7394 # correct ring bond data
190: ok 7395 # correct ring bond data
190: ok 7396 # correct ring bond data
190: ok 7397 # correct ring bond data
190: ok 7398 # correct ring bond data
190: ok 7399 # correct ring bond data
190: ok 7400 # correct ring bond data
190: ok 7401 # SSSR size matches reference
190: ok 7402 # correct SSSR count
190: ok 7403 # ring membership passed
190: ok 7404 # correct SSSR count
190: ok 7405 # ring membership passed
190: ok 7406 # correct SSSR count
190: ok 7407 # ring membership passed
190: ok 7408 # correct SSSR count
190: ok 7409 # ring membership passed
190: ok 7410 # correct SSSR count
190: ok 7411 # ring membership passed
190: ok 7412 # correct SSSR count
190: ok 7413 # ring membership passed
190: ok 7414 # correct SSSR count
190: ok 7415 # ring membership passed
190: ok 7416 # correct SSSR count
190: ok 7417 # ring membership passed
190: ok 7418 # correct SSSR count
190: ok 7419 # ring membership passed
190: ok 7420 # correct SSSR count
190: ok 7421 # ring membership passed
190: ok 7422 # correct SSSR count
190: ok 7423 # ring membership passed
190: ok 7424 # correct SSSR count
190: ok 7425 # ring membership passed
190: ok 7426 # correct SSSR count
190: ok 7427 # ring membership passed
190: ok 7428 # correct SSSR count
190: ok 7429 # ring membership passed
190: ok 7430 # correct SSSR count
190: ok 7431 # ring membership passed
190: ok 7432 # correct SSSR count
190: ok 7433 # ring membership passed
190: ok 7434 # correct SSSR count
190: ok 7435 # ring membership passed
190: ok 7436 # correct SSSR count
190: ok 7437 # ring membership passed
190: ok 7438 # correct SSSR count
190: ok 7439 # ring membership passed
190: ok 7440 # correct SSSR count
190: ok 7441 # ring membership passed
190: ok 7442 # correct SSSR count
190: ok 7443 # ring membership passed
190: ok 7444 # correct SSSR count
190: ok 7445 # ring membership passed
190: ok 7446 # correct SSSR count
190: ok 7447 # ring membership passed
190: ok 7448 # correct SSSR count
190: ok 7449 # ring membership passed
190: ok 7450 # correct SSSR count
190: ok 7451 # ring membership passed
190: ok 7452 # correct SSSR count
190: ok 7453 # ring membership passed
190: ok 7454 # correct ring bond data
190: ok 7455 # correct ring bond data
190: ok 7456 # correct ring bond data
190: ok 7457 # correct ring bond data
190: ok 7458 # correct ring bond data
190: ok 7459 # correct ring bond data
190: ok 7460 # correct ring bond data
190: ok 7461 # correct ring bond data
190: ok 7462 # correct ring bond data
190: ok 7463 # correct ring bond data
190: ok 7464 # correct ring bond data
190: ok 7465 # correct ring bond data
190: ok 7466 # correct ring bond data
190: ok 7467 # correct ring bond data
190: ok 7468 # correct ring bond data
190: ok 7469 # correct ring bond data
190: ok 7470 # correct ring bond data
190: ok 7471 # correct ring bond data
190: ok 7472 # correct ring bond data
190: ok 7473 # correct ring bond data
190: ok 7474 # correct ring bond data
190: ok 7475 # correct ring bond data
190: ok 7476 # correct ring bond data
190: ok 7477 # correct ring bond data
190: ok 7478 # correct ring bond data
190: ok 7479 # correct ring bond data
190: ok 7480 # correct ring bond data
190: ok 7481 # SSSR size matches reference
190: ok 7482 # correct SSSR count
190: ok 7483 # ring membership passed
190: ok 7484 # correct SSSR count
190: ok 7485 # ring membership passed
190: ok 7486 # correct SSSR count
190: ok 7487 # ring membership passed
190: ok 7488 # correct SSSR count
190: ok 7489 # ring membership passed
190: ok 7490 # correct SSSR count
190: ok 7491 # ring membership passed
190: ok 7492 # correct SSSR count
190: ok 7493 # ring membership passed
190: ok 7494 # correct SSSR count
190: ok 7495 # ring membership passed
190: ok 7496 # correct SSSR count
190: ok 7497 # ring membership passed
190: ok 7498 # correct SSSR count
190: ok 7499 # ring membership passed
190: ok 7500 # correct SSSR count
190: ok 7501 # ring membership passed
190: ok 7502 # correct SSSR count
190: ok 7503 # ring membership passed
190: ok 7504 # correct SSSR count
190: ok 7505 # ring membership passed
190: ok 7506 # correct SSSR count
190: ok 7507 # ring membership passed
190: ok 7508 # correct SSSR count
190: ok 7509 # ring membership passed
190: ok 7510 # correct SSSR count
190: ok 7511 # ring membership passed
190: ok 7512 # correct SSSR count
190: ok 7513 # ring membership passed
190: ok 7514 # correct SSSR count
190: ok 7515 # ring membership passed
190: ok 7516 # correct SSSR count
190: ok 7517 # ring membership passed
190: ok 7518 # correct SSSR count
190: ok 7519 # ring membership passed
190: ok 7520 # correct SSSR count
190: ok 7521 # ring membership passed
190: ok 7522 # correct SSSR count
190: ok 7523 # ring membership passed
190: ok 7524 # correct SSSR count
190: ok 7525 # ring membership passed
190: ok 7526 # correct SSSR count
190: ok 7527 # ring membership passed
190: ok 7528 # correct ring bond data
190: ok 7529 # correct ring bond data
190: ok 7530 # correct ring bond data
190: ok 7531 # correct ring bond data
190: ok 7532 # correct ring bond data
190: ok 7533 # correct ring bond data
190: ok 7534 # correct ring bond data
190: ok 7535 # correct ring bond data
190: ok 7536 # correct ring bond data
190: ok 7537 # correct ring bond data
190: ok 7538 # correct ring bond data
190: ok 7539 # correct ring bond data
190: ok 7540 # correct ring bond data
190: ok 7541 # correct ring bond data
190: ok 7542 # correct ring bond data
190: ok 7543 # SSSR size matches reference
190: ok 7544 # correct SSSR count
190: ok 7545 # ring membership passed
190: ok 7546 # correct SSSR count
190: ok 7547 # ring membership passed
190: ok 7548 # correct SSSR count
190: ok 7549 # ring membership passed
190: ok 7550 # correct SSSR count
190: ok 7551 # ring membership passed
190: ok 7552 # correct SSSR count
190: ok 7553 # ring membership passed
190: ok 7554 # correct SSSR count
190: ok 7555 # ring membership passed
190: ok 7556 # correct SSSR count
190: ok 7557 # ring membership passed
190: ok 7558 # correct SSSR count
190: ok 7559 # ring membership passed
190: ok 7560 # correct SSSR count
190: ok 7561 # ring membership passed
190: ok 7562 # correct SSSR count
190: ok 7563 # ring membership passed
190: ok 7564 # correct SSSR count
190: ok 7565 # ring membership passed
190: ok 7566 # correct SSSR count
190: ok 7567 # ring membership passed
190: ok 7568 # correct SSSR count
190: ok 7569 # ring membership passed
190: ok 7570 # correct SSSR count
190: ok 7571 # ring membership passed
190: ok 7572 # correct ring bond data
190: ok 7573 # correct ring bond data
190: ok 7574 # correct ring bond data
190: ok 7575 # correct ring bond data
190: ok 7576 # correct ring bond data
190: ok 7577 # correct ring bond data
190: ok 7578 # correct ring bond data
190: ok 7579 # correct ring bond data
190: ok 7580 # correct ring bond data
190: ok 7581 # correct ring bond data
190: ok 7582 # correct ring bond data
190: ok 7583 # correct ring bond data
190: ok 7584 # correct ring bond data
190: ok 7585 # SSSR size matches reference
190: ok 7586 # correct SSSR count
190: ok 7587 # ring membership passed
190: ok 7588 # correct SSSR count
190: ok 7589 # ring membership passed
190: ok 7590 # correct SSSR count
190: ok 7591 # ring membership passed
190: ok 7592 # correct SSSR count
190: ok 7593 # ring membership passed
190: ok 7594 # correct SSSR count
190: ok 7595 # ring membership passed
190: ok 7596 # correct SSSR count
190: ok 7597 # ring membership passed
190: ok 7598 # correct SSSR count
190: ok 7599 # ring membership passed
190: ok 7600 # correct SSSR count
190: ok 7601 # ring membership passed
190: ok 7602 # correct SSSR count
190: ok 7603 # ring membership passed
190: ok 7604 # correct SSSR count
190: ok 7605 # ring membership passed
190: ok 7606 # correct SSSR count
190: ok 7607 # ring membership passed
190: ok 7608 # correct SSSR count
190: ok 7609 # ring membership passed
190: ok 7610 # correct SSSR count
190: ok 7611 # ring membership passed
190: ok 7612 # correct SSSR count
190: ok 7613 # ring membership passed
190: ok 7614 # correct ring bond data
190: ok 7615 # correct ring bond data
190: ok 7616 # correct ring bond data
190: ok 7617 # correct ring bond data
190: ok 7618 # correct ring bond data
190: ok 7619 # correct ring bond data
190: ok 7620 # correct ring bond data
190: ok 7621 # correct ring bond data
190: ok 7622 # correct ring bond data
190: ok 7623 # correct ring bond data
190: ok 7624 # correct ring bond data
190: ok 7625 # correct ring bond data
190: ok 7626 # correct ring bond data
190: ok 7627 # correct ring bond data
190: ok 7628 # correct ring bond data
190: ok 7629 # correct ring bond data
190: ok 7630 # correct ring bond data
190: ok 7631 # correct ring bond data
190: ok 7632 # correct ring bond data
190: ok 7633 # correct ring bond data
190: ok 7634 # correct ring bond data
190: ok 7635 # correct ring bond data
190: ok 7636 # correct ring bond data
190: ok 7637 # correct ring bond data
190: ok 7638 # correct ring bond data
190: ok 7639 # correct ring bond data
190: ok 7640 # correct ring bond data
190: ok 7641 # correct ring bond data
190: ok 7642 # correct ring bond data
190: ok 7643 # correct ring bond data
190: ok 7644 # correct ring bond data
190: ok 7645 # correct ring bond data
190: ok 7646 # correct ring bond data
190: ok 7647 # SSSR size matches reference
190: ok 7648 # correct SSSR count
190: ok 7649 # ring membership passed
190: ok 7650 # correct SSSR count
190: ok 7651 # ring membership passed
190: ok 7652 # correct SSSR count
190: ok 7653 # ring membership passed
190: ok 7654 # correct SSSR count
190: ok 7655 # ring membership passed
190: ok 7656 # correct SSSR count
190: ok 7657 # ring membership passed
190: ok 7658 # correct SSSR count
190: ok 7659 # ring membership passed
190: ok 7660 # correct SSSR count
190: ok 7661 # ring membership passed
190: ok 7662 # correct SSSR count
190: ok 7663 # ring membership passed
190: ok 7664 # correct SSSR count
190: ok 7665 # ring membership passed
190: ok 7666 # correct SSSR count
190: ok 7667 # ring membership passed
190: ok 7668 # correct SSSR count
190: ok 7669 # ring membership passed
190: ok 7670 # correct SSSR count
190: ok 7671 # ring membership passed
190: ok 7672 # correct SSSR count
190: ok 7673 # ring membership passed
190: ok 7674 # correct SSSR count
190: ok 7675 # ring membership passed
190: ok 7676 # correct SSSR count
190: ok 7677 # ring membership passed
190: ok 7678 # correct SSSR count
190: ok 7679 # ring membership passed
190: ok 7680 # correct SSSR count
190: ok 7681 # ring membership passed
190: ok 7682 # correct SSSR count
190: ok 7683 # ring membership passed
190: ok 7684 # correct SSSR count
190: ok 7685 # ring membership passed
190: ok 7686 # correct SSSR count
190: ok 7687 # ring membership passed
190: ok 7688 # correct SSSR count
190: ok 7689 # ring membership passed
190: ok 7690 # correct SSSR count
190: ok 7691 # ring membership passed
190: ok 7692 # correct SSSR count
190: ok 7693 # ring membership passed
190: ok 7694 # correct SSSR count
190: ok 7695 # ring membership passed
190: ok 7696 # correct SSSR count
190: ok 7697 # ring membership passed
190: ok 7698 # correct SSSR count
190: ok 7699 # ring membership passed
190: ok 7700 # correct SSSR count
190: ok 7701 # ring membership passed
190: ok 7702 # correct SSSR count
190: ok 7703 # ring membership passed
190: ok 7704 # correct SSSR count
190: ok 7705 # ring membership passed
190: ok 7706 # correct SSSR count
190: ok 7707 # ring membership passed
190: ok 7708 # correct ring bond data
190: ok 7709 # correct ring bond data
190: ok 7710 # correct ring bond data
190: ok 7711 # correct ring bond data
190: ok 7712 # correct ring bond data
190: ok 7713 # correct ring bond data
190: ok 7714 # correct ring bond data
190: ok 7715 # correct ring bond data
190: ok 7716 # correct ring bond data
190: ok 7717 # correct ring bond data
190: ok 7718 # correct ring bond data
190: ok 7719 # correct ring bond data
190: ok 7720 # correct ring bond data
190: ok 7721 # correct ring bond data
190: ok 7722 # correct ring bond data
190: ok 7723 # correct ring bond data
190: ok 7724 # correct ring bond data
190: ok 7725 # correct ring bond data
190: ok 7726 # correct ring bond data
190: ok 7727 # correct ring bond data
190: ok 7728 # correct ring bond data
190: ok 7729 # SSSR size matches reference
190: ok 7730 # correct SSSR count
190: ok 7731 # ring membership passed
190: ok 7732 # correct SSSR count
190: ok 7733 # ring membership passed
190: ok 7734 # correct SSSR count
190: ok 7735 # ring membership passed
190: ok 7736 # correct SSSR count
190: ok 7737 # ring membership passed
190: ok 7738 # correct SSSR count
190: ok 7739 # ring membership passed
190: ok 7740 # correct SSSR count
190: ok 7741 # ring membership passed
190: ok 7742 # correct SSSR count
190: ok 7743 # ring membership passed
190: ok 7744 # correct SSSR count
190: ok 7745 # ring membership passed
190: ok 7746 # correct SSSR count
190: ok 7747 # ring membership passed
190: ok 7748 # correct SSSR count
190: ok 7749 # ring membership passed
190: ok 7750 # correct SSSR count
190: ok 7751 # ring membership passed
190: ok 7752 # correct SSSR count
190: ok 7753 # ring membership passed
190: ok 7754 # correct SSSR count
190: ok 7755 # ring membership passed
190: ok 7756 # correct SSSR count
190: ok 7757 # ring membership passed
190: ok 7758 # correct SSSR count
190: ok 7759 # ring membership passed
190: ok 7760 # correct SSSR count
190: ok 7761 # ring membership passed
190: ok 7762 # correct SSSR count
190: ok 7763 # ring membership passed
190: ok 7764 # correct SSSR count
190: ok 7765 # ring membership passed
190: ok 7766 # correct SSSR count
190: ok 7767 # ring membership passed
190: ok 7768 # correct SSSR count
190: ok 7769 # ring membership passed
190: ok 7770 # correct ring bond data
190: ok 7771 # correct ring bond data
190: ok 7772 # correct ring bond data
190: ok 7773 # correct ring bond data
190: ok 7774 # correct ring bond data
190: ok 7775 # correct ring bond data
190: ok 7776 # correct ring bond data
190: ok 7777 # correct ring bond data
190: ok 7778 # correct ring bond data
190: ok 7779 # correct ring bond data
190: ok 7780 # correct ring bond data
190: ok 7781 # correct ring bond data
190: ok 7782 # correct ring bond data
190: ok 7783 # correct ring bond data
190: ok 7784 # correct ring bond data
190: ok 7785 # correct ring bond data
190: ok 7786 # correct ring bond data
190: ok 7787 # correct ring bond data
190: ok 7788 # correct ring bond data
190: ok 7789 # correct ring bond data
190: ok 7790 # correct ring bond data
190: ok 7791 # correct ring bond data
190: ok 7792 # correct ring bond data
190: ok 7793 # correct ring bond data
190: ok 7794 # correct ring bond data
190: ok 7795 # correct ring bond data
190: ok 7796 # correct ring bond data
190: ok 7797 # SSSR size matches reference
190: ok 7798 # correct SSSR count
190: ok 7799 # ring membership passed
190: ok 7800 # correct SSSR count
190: ok 7801 # ring membership passed
190: ok 7802 # correct SSSR count
190: ok 7803 # ring membership passed
190: ok 7804 # correct SSSR count
190: ok 7805 # ring membership passed
190: ok 7806 # correct SSSR count
190: ok 7807 # ring membership passed
190: ok 7808 # correct SSSR count
190: ok 7809 # ring membership passed
190: ok 7810 # correct SSSR count
190: ok 7811 # ring membership passed
190: ok 7812 # correct SSSR count
190: ok 7813 # ring membership passed
190: ok 7814 # correct SSSR count
190: ok 7815 # ring membership passed
190: ok 7816 # correct SSSR count
190: ok 7817 # ring membership passed
190: ok 7818 # correct SSSR count
190: ok 7819 # ring membership passed
190: ok 7820 # correct SSSR count
190: ok 7821 # ring membership passed
190: ok 7822 # correct SSSR count
190: ok 7823 # ring membership passed
190: ok 7824 # correct SSSR count
190: ok 7825 # ring membership passed
190: ok 7826 # correct SSSR count
190: ok 7827 # ring membership passed
190: ok 7828 # correct SSSR count
190: ok 7829 # ring membership passed
190: ok 7830 # correct SSSR count
190: ok 7831 # ring membership passed
190: ok 7832 # correct SSSR count
190: ok 7833 # ring membership passed
190: ok 7834 # correct SSSR count
190: ok 7835 # ring membership passed
190: ok 7836 # correct SSSR count
190: ok 7837 # ring membership passed
190: ok 7838 # correct SSSR count
190: ok 7839 # ring membership passed
190: ok 7840 # correct SSSR count
190: ok 7841 # ring membership passed
190: ok 7842 # correct SSSR count
190: ok 7843 # ring membership passed
190: ok 7844 # correct SSSR count
190: ok 7845 # ring membership passed
190: ok 7846 # correct SSSR count
190: ok 7847 # ring membership passed
190: ok 7848 # correct SSSR count
190: ok 7849 # ring membership passed
190: ok 7850 # correct ring bond data
190: ok 7851 # correct ring bond data
190: ok 7852 # correct ring bond data
190: ok 7853 # correct ring bond data
190: ok 7854 # correct ring bond data
190: ok 7855 # correct ring bond data
190: ok 7856 # correct ring bond data
190: ok 7857 # correct ring bond data
190: ok 7858 # correct ring bond data
190: ok 7859 # correct ring bond data
190: ok 7860 # correct ring bond data
190: ok 7861 # correct ring bond data
190: ok 7862 # correct ring bond data
190: ok 7863 # correct ring bond data
190: ok 7864 # correct ring bond data
190: ok 7865 # correct ring bond data
190: ok 7866 # correct ring bond data
190: ok 7867 # correct ring bond data
190: ok 7868 # correct ring bond data
190: ok 7869 # correct ring bond data
190: ok 7870 # correct ring bond data
190: ok 7871 # correct ring bond data
190: ok 7872 # correct ring bond data
190: ok 7873 # correct ring bond data
190: ok 7874 # correct ring bond data
190: ok 7875 # SSSR size matches reference
190: ok 7876 # correct SSSR count
190: ok 7877 # ring membership passed
190: ok 7878 # correct SSSR count
190: ok 7879 # ring membership passed
190: ok 7880 # correct SSSR count
190: ok 7881 # ring membership passed
190: ok 7882 # correct SSSR count
190: ok 7883 # ring membership passed
190: ok 7884 # correct SSSR count
190: ok 7885 # ring membership passed
190: ok 7886 # correct SSSR count
190: ok 7887 # ring membership passed
190: ok 7888 # correct SSSR count
190: ok 7889 # ring membership passed
190: ok 7890 # correct SSSR count
190: ok 7891 # ring membership passed
190: ok 7892 # correct SSSR count
190: ok 7893 # ring membership passed
190: ok 7894 # correct SSSR count
190: ok 7895 # ring membership passed
190: ok 7896 # correct SSSR count
190: ok 7897 # ring membership passed
190: ok 7898 # correct SSSR count
190: ok 7899 # ring membership passed
190: ok 7900 # correct SSSR count
190: ok 7901 # ring membership passed
190: ok 7902 # correct SSSR count
190: ok 7903 # ring membership passed
190: ok 7904 # correct SSSR count
190: ok 7905 # ring membership passed
190: ok 7906 # correct SSSR count
190: ok 7907 # ring membership passed
190: ok 7908 # correct SSSR count
190: ok 7909 # ring membership passed
190: ok 7910 # correct SSSR count
190: ok 7911 # ring membership passed
190: ok 7912 # correct SSSR count
190: ok 7913 # ring membership passed
190: ok 7914 # correct SSSR count
190: ok 7915 # ring membership passed
190: ok 7916 # correct SSSR count
190: ok 7917 # ring membership passed
190: ok 7918 # correct SSSR count
190: ok 7919 # ring membership passed
190: ok 7920 # correct SSSR count
190: ok 7921 # ring membership passed
190: ok 7922 # correct SSSR count
190: ok 7923 # ring membership passed
190: ok 7924 # correct ring bond data
190: ok 7925 # correct ring bond data
190: ok 7926 # correct ring bond data
190: ok 7927 # correct ring bond data
190: ok 7928 # correct ring bond data
190: ok 7929 # correct ring bond data
190: ok 7930 # correct ring bond data
190: ok 7931 # correct ring bond data
190: ok 7932 # correct ring bond data
190: ok 7933 # correct ring bond data
190: ok 7934 # correct ring bond data
190: ok 7935 # correct ring bond data
190: ok 7936 # correct ring bond data
190: ok 7937 # correct ring bond data
190: ok 7938 # correct ring bond data
190: ok 7939 # correct ring bond data
190: ok 7940 # correct ring bond data
190: ok 7941 # correct ring bond data
190: ok 7942 # correct ring bond data
190: ok 7943 # correct ring bond data
190: ok 7944 # correct ring bond data
190: ok 7945 # correct ring bond data
190: ok 7946 # correct ring bond data
190: ok 7947 # correct ring bond data
190: ok 7948 # correct ring bond data
190: ok 7949 # correct ring bond data
190: ok 7950 # correct ring bond data
190: ok 7951 # correct ring bond data
190: ok 7952 # correct ring bond data
190: ok 7953 # correct ring bond data
190: ok 7954 # correct ring bond data
190: ok 7955 # correct ring bond data
190: ok 7956 # correct ring bond data
190: ok 7957 # SSSR size matches reference
190: ok 7958 # correct SSSR count
190: ok 7959 # ring membership passed
190: ok 7960 # correct SSSR count
190: ok 7961 # ring membership passed
190: ok 7962 # correct SSSR count
190: ok 7963 # ring membership passed
190: ok 7964 # correct SSSR count
190: ok 7965 # ring membership passed
190: ok 7966 # correct SSSR count
190: ok 7967 # ring membership passed
190: ok 7968 # correct SSSR count
190: ok 7969 # ring membership passed
190: ok 7970 # correct SSSR count
190: ok 7971 # ring membership passed
190: ok 7972 # correct SSSR count
190: ok 7973 # ring membership passed
190: ok 7974 # correct SSSR count
190: ok 7975 # ring membership passed
190: ok 7976 # correct SSSR count
190: ok 7977 # ring membership passed
190: ok 7978 # correct SSSR count
190: ok 7979 # ring membership passed
190: ok 7980 # correct SSSR count
190: ok 7981 # ring membership passed
190: ok 7982 # correct SSSR count
190: ok 7983 # ring membership passed
190: ok 7984 # correct SSSR count
190: ok 7985 # ring membership passed
190: ok 7986 # correct SSSR count
190: ok 7987 # ring membership passed
190: ok 7988 # correct SSSR count
190: ok 7989 # ring membership passed
190: ok 7990 # correct SSSR count
190: ok 7991 # ring membership passed
190: ok 7992 # correct SSSR count
190: ok 7993 # ring membership passed
190: ok 7994 # correct SSSR count
190: ok 7995 # ring membership passed
190: ok 7996 # correct SSSR count
190: ok 7997 # ring membership passed
190: ok 7998 # correct SSSR count
190: ok 7999 # ring membership passed
190: ok 8000 # correct SSSR count
190: ok 8001 # ring membership passed
190: ok 8002 # correct SSSR count
190: ok 8003 # ring membership passed
190: ok 8004 # correct SSSR count
190: ok 8005 # ring membership passed
190: ok 8006 # correct SSSR count
190: ok 8007 # ring membership passed
190: ok 8008 # correct SSSR count
190: ok 8009 # ring membership passed
190: ok 8010 # correct SSSR count
190: ok 8011 # ring membership passed
190: ok 8012 # correct SSSR count
190: ok 8013 # ring membership passed
190: ok 8014 # correct SSSR count
190: ok 8015 # ring membership passed
190: ok 8016 # correct SSSR count
190: ok 8017 # ring membership passed
190: ok 8018 # correct SSSR count
190: ok 8019 # ring membership passed
190: ok 8020 # correct ring bond data
190: ok 8021 # correct ring bond data
190: ok 8022 # correct ring bond data
190: ok 8023 # correct ring bond data
190: ok 8024 # correct ring bond data
190: ok 8025 # correct ring bond data
190: ok 8026 # correct ring bond data
190: ok 8027 # correct ring bond data
190: ok 8028 # correct ring bond data
190: ok 8029 # correct ring bond data
190: ok 8030 # correct ring bond data
190: ok 8031 # correct ring bond data
190: ok 8032 # correct ring bond data
190: ok 8033 # correct ring bond data
190: ok 8034 # correct ring bond data
190: ok 8035 # correct ring bond data
190: ok 8036 # correct ring bond data
190: ok 8037 # correct ring bond data
190: ok 8038 # correct ring bond data
190: ok 8039 # correct ring bond data
190: ok 8040 # correct ring bond data
190: ok 8041 # correct ring bond data
190: ok 8042 # correct ring bond data
190: ok 8043 # correct ring bond data
190: ok 8044 # correct ring bond data
190: ok 8045 # SSSR size matches reference
190: ok 8046 # correct SSSR count
190: ok 8047 # ring membership passed
190: ok 8048 # correct SSSR count
190: ok 8049 # ring membership passed
190: ok 8050 # correct SSSR count
190: ok 8051 # ring membership passed
190: ok 8052 # correct SSSR count
190: ok 8053 # ring membership passed
190: ok 8054 # correct SSSR count
190: ok 8055 # ring membership passed
190: ok 8056 # correct SSSR count
190: ok 8057 # ring membership passed
190: ok 8058 # correct SSSR count
190: ok 8059 # ring membership passed
190: ok 8060 # correct SSSR count
190: ok 8061 # ring membership passed
190: ok 8062 # correct SSSR count
190: ok 8063 # ring membership passed
190: ok 8064 # correct SSSR count
190: ok 8065 # ring membership passed
190: ok 8066 # correct SSSR count
190: ok 8067 # ring membership passed
190: ok 8068 # correct SSSR count
190: ok 8069 # ring membership passed
190: ok 8070 # correct SSSR count
190: ok 8071 # ring membership passed
190: ok 8072 # correct SSSR count
190: ok 8073 # ring membership passed
190: ok 8074 # correct SSSR count
190: ok 8075 # ring membership passed
190: ok 8076 # correct SSSR count
190: ok 8077 # ring membership passed
190: ok 8078 # correct SSSR count
190: ok 8079 # ring membership passed
190: ok 8080 # correct SSSR count
190: ok 8081 # ring membership passed
190: ok 8082 # correct SSSR count
190: ok 8083 # ring membership passed
190: ok 8084 # correct SSSR count
190: ok 8085 # ring membership passed
190: ok 8086 # correct SSSR count
190: ok 8087 # ring membership passed
190: ok 8088 # correct SSSR count
190: ok 8089 # ring membership passed
190: ok 8090 # correct SSSR count
190: ok 8091 # ring membership passed
190: ok 8092 # correct SSSR count
190: ok 8093 # ring membership passed
190: ok 8094 # correct ring bond data
190: ok 8095 # correct ring bond data
190: ok 8096 # correct ring bond data
190: ok 8097 # correct ring bond data
190: ok 8098 # correct ring bond data
190: ok 8099 # correct ring bond data
190: ok 8100 # correct ring bond data
190: ok 8101 # correct ring bond data
190: ok 8102 # correct ring bond data
190: ok 8103 # correct ring bond data
190: ok 8104 # correct ring bond data
190: ok 8105 # correct ring bond data
190: ok 8106 # correct ring bond data
190: ok 8107 # correct ring bond data
190: ok 8108 # correct ring bond data
190: ok 8109 # correct ring bond data
190: ok 8110 # correct ring bond data
190: ok 8111 # correct ring bond data
190: ok 8112 # correct ring bond data
190: ok 8113 # correct ring bond data
190: ok 8114 # correct ring bond data
190: ok 8115 # correct ring bond data
190: ok 8116 # correct ring bond data
190: ok 8117 # correct ring bond data
190: ok 8118 # correct ring bond data
190: ok 8119 # correct ring bond data
190: ok 8120 # SSSR size matches reference
190: ok 8121 # correct SSSR count
190: ok 8122 # ring membership passed
190: ok 8123 # correct SSSR count
190: ok 8124 # ring membership passed
190: ok 8125 # correct SSSR count
190: ok 8126 # ring membership passed
190: ok 8127 # correct SSSR count
190: ok 8128 # ring membership passed
190: ok 8129 # correct SSSR count
190: ok 8130 # ring membership passed
190: ok 8131 # correct SSSR count
190: ok 8132 # ring membership passed
190: ok 8133 # correct SSSR count
190: ok 8134 # ring membership passed
190: ok 8135 # correct SSSR count
190: ok 8136 # ring membership passed
190: ok 8137 # correct SSSR count
190: ok 8138 # ring membership passed
190: ok 8139 # correct SSSR count
190: ok 8140 # ring membership passed
190: ok 8141 # correct SSSR count
190: ok 8142 # ring membership passed
190: ok 8143 # correct SSSR count
190: ok 8144 # ring membership passed
190: ok 8145 # correct SSSR count
190: ok 8146 # ring membership passed
190: ok 8147 # correct SSSR count
190: ok 8148 # ring membership passed
190: ok 8149 # correct SSSR count
190: ok 8150 # ring membership passed
190: ok 8151 # correct SSSR count
190: ok 8152 # ring membership passed
190: ok 8153 # correct SSSR count
190: ok 8154 # ring membership passed
190: ok 8155 # correct SSSR count
190: ok 8156 # ring membership passed
190: ok 8157 # correct SSSR count
190: ok 8158 # ring membership passed
190: ok 8159 # correct SSSR count
190: ok 8160 # ring membership passed
190: ok 8161 # correct SSSR count
190: ok 8162 # ring membership passed
190: ok 8163 # correct SSSR count
190: ok 8164 # ring membership passed
190: ok 8165 # correct SSSR count
190: ok 8166 # ring membership passed
190: ok 8167 # correct SSSR count
190: ok 8168 # ring membership passed
190: ok 8169 # correct SSSR count
190: ok 8170 # ring membership passed
190: ok 8171 # correct ring bond data
190: ok 8172 # correct ring bond data
190: ok 8173 # correct ring bond data
190: ok 8174 # correct ring bond data
190: ok 8175 # correct ring bond data
190: ok 8176 # correct ring bond data
190: ok 8177 # correct ring bond data
190: ok 8178 # correct ring bond data
190: ok 8179 # correct ring bond data
190: ok 8180 # correct ring bond data
190: ok 8181 # correct ring bond data
190: ok 8182 # correct ring bond data
190: ok 8183 # correct ring bond data
190: ok 8184 # correct ring bond data
190: ok 8185 # correct ring bond data
190: ok 8186 # correct ring bond data
190: ok 8187 # correct ring bond data
190: ok 8188 # correct ring bond data
190: ok 8189 # correct ring bond data
190: ok 8190 # correct ring bond data
190: ok 8191 # correct ring bond data
190: ok 8192 # correct ring bond data
190: ok 8193 # correct ring bond data
190: ok 8194 # correct ring bond data
190: ok 8195 # SSSR size matches reference
190: ok 8196 # correct SSSR count
190: ok 8197 # ring membership passed
190: ok 8198 # correct SSSR count
190: ok 8199 # ring membership passed
190: ok 8200 # correct SSSR count
190: ok 8201 # ring membership passed
190: ok 8202 # correct SSSR count
190: ok 8203 # ring membership passed
190: ok 8204 # correct SSSR count
190: ok 8205 # ring membership passed
190: ok 8206 # correct SSSR count
190: ok 8207 # ring membership passed
190: ok 8208 # correct SSSR count
190: ok 8209 # ring membership passed
190: ok 8210 # correct SSSR count
190: ok 8211 # ring membership passed
190: ok 8212 # correct SSSR count
190: ok 8213 # ring membership passed
190: ok 8214 # correct SSSR count
190: ok 8215 # ring membership passed
190: ok 8216 # correct SSSR count
190: ok 8217 # ring membership passed
190: ok 8218 # correct SSSR count
190: ok 8219 # ring membership passed
190: ok 8220 # correct SSSR count
190: ok 8221 # ring membership passed
190: ok 8222 # correct SSSR count
190: ok 8223 # ring membership passed
190: ok 8224 # correct SSSR count
190: ok 8225 # ring membership passed
190: ok 8226 # correct SSSR count
190: ok 8227 # ring membership passed
190: ok 8228 # correct SSSR count
190: ok 8229 # ring membership passed
190: ok 8230 # correct SSSR count
190: ok 8231 # ring membership passed
190: ok 8232 # correct SSSR count
190: ok 8233 # ring membership passed
190: ok 8234 # correct SSSR count
190: ok 8235 # ring membership passed
190: ok 8236 # correct SSSR count
190: ok 8237 # ring membership passed
190: ok 8238 # correct SSSR count
190: ok 8239 # ring membership passed
190: ok 8240 # correct SSSR count
190: ok 8241 # ring membership passed
190: ok 8242 # correct ring bond data
190: ok 8243 # correct ring bond data
190: ok 8244 # correct ring bond data
190: ok 8245 # correct ring bond data
190: ok 8246 # correct ring bond data
190: ok 8247 # correct ring bond data
190: ok 8248 # correct ring bond data
190: ok 8249 # correct ring bond data
190: ok 8250 # correct ring bond data
190: ok 8251 # correct ring bond data
190: ok 8252 # correct ring bond data
190: ok 8253 # correct ring bond data
190: ok 8254 # correct ring bond data
190: ok 8255 # correct ring bond data
190: ok 8256 # correct ring bond data
190: ok 8257 # correct ring bond data
190: ok 8258 # correct ring bond data
190: ok 8259 # correct ring bond data
190: ok 8260 # correct ring bond data
190: ok 8261 # SSSR size matches reference
190: ok 8262 # correct SSSR count
190: ok 8263 # ring membership passed
190: ok 8264 # correct SSSR count
190: ok 8265 # ring membership passed
190: ok 8266 # correct SSSR count
190: ok 8267 # ring membership passed
190: ok 8268 # correct SSSR count
190: ok 8269 # ring membership passed
190: ok 8270 # correct SSSR count
190: ok 8271 # ring membership passed
190: ok 8272 # correct SSSR count
190: ok 8273 # ring membership passed
190: ok 8274 # correct SSSR count
190: ok 8275 # ring membership passed
190: ok 8276 # correct SSSR count
190: ok 8277 # ring membership passed
190: ok 8278 # correct SSSR count
190: ok 8279 # ring membership passed
190: ok 8280 # correct SSSR count
190: ok 8281 # ring membership passed
190: ok 8282 # correct SSSR count
190: ok 8283 # ring membership passed
190: ok 8284 # correct SSSR count
190: ok 8285 # ring membership passed
190: ok 8286 # correct SSSR count
190: ok 8287 # ring membership passed
190: ok 8288 # correct SSSR count
190: ok 8289 # ring membership passed
190: ok 8290 # correct SSSR count
190: ok 8291 # ring membership passed
190: ok 8292 # correct SSSR count
190: ok 8293 # ring membership passed
190: ok 8294 # correct SSSR count
190: ok 8295 # ring membership passed
190: ok 8296 # correct SSSR count
190: ok 8297 # ring membership passed
190: ok 8298 # correct ring bond data
190: ok 8299 # correct ring bond data
190: ok 8300 # correct ring bond data
190: ok 8301 # correct ring bond data
190: ok 8302 # correct ring bond data
190: ok 8303 # correct ring bond data
190: ok 8304 # correct ring bond data
190: ok 8305 # correct ring bond data
190: ok 8306 # correct ring bond data
190: ok 8307 # correct ring bond data
190: ok 8308 # correct ring bond data
190: ok 8309 # correct ring bond data
190: ok 8310 # correct ring bond data
190: ok 8311 # correct ring bond data
190: ok 8312 # correct ring bond data
190: ok 8313 # correct ring bond data
190: ok 8314 # correct ring bond data
190: ok 8315 # correct ring bond data
190: ok 8316 # correct ring bond data
190: ok 8317 # SSSR size matches reference
190: ok 8318 # correct SSSR count
190: ok 8319 # ring membership passed
190: ok 8320 # correct SSSR count
190: ok 8321 # ring membership passed
190: ok 8322 # correct SSSR count
190: ok 8323 # ring membership passed
190: ok 8324 # correct SSSR count
190: ok 8325 # ring membership passed
190: ok 8326 # correct SSSR count
190: ok 8327 # ring membership passed
190: ok 8328 # correct SSSR count
190: ok 8329 # ring membership passed
190: ok 8330 # correct SSSR count
190: ok 8331 # ring membership passed
190: ok 8332 # correct SSSR count
190: ok 8333 # ring membership passed
190: ok 8334 # correct SSSR count
190: ok 8335 # ring membership passed
190: ok 8336 # correct SSSR count
190: ok 8337 # ring membership passed
190: ok 8338 # correct SSSR count
190: ok 8339 # ring membership passed
190: ok 8340 # correct SSSR count
190: ok 8341 # ring membership passed
190: ok 8342 # correct SSSR count
190: ok 8343 # ring membership passed
190: ok 8344 # correct SSSR count
190: ok 8345 # ring membership passed
190: ok 8346 # correct SSSR count
190: ok 8347 # ring membership passed
190: ok 8348 # correct SSSR count
190: ok 8349 # ring membership passed
190: ok 8350 # correct SSSR count
190: ok 8351 # ring membership passed
190: ok 8352 # correct SSSR count
190: ok 8353 # ring membership passed
190: ok 8354 # correct ring bond data
190: ok 8355 # correct ring bond data
190: ok 8356 # correct ring bond data
190: ok 8357 # correct ring bond data
190: ok 8358 # correct ring bond data
190: ok 8359 # correct ring bond data
190: ok 8360 # correct ring bond data
190: ok 8361 # correct ring bond data
190: ok 8362 # correct ring bond data
190: ok 8363 # correct ring bond data
190: ok 8364 # correct ring bond data
190: ok 8365 # correct ring bond data
190: ok 8366 # correct ring bond data
190: ok 8367 # correct ring bond data
190: ok 8368 # correct ring bond data
190: ok 8369 # correct ring bond data
190: ok 8370 # correct ring bond data
190: ok 8371 # correct ring bond data
190: ok 8372 # correct ring bond data
190: ok 8373 # correct ring bond data
190: ok 8374 # correct ring bond data
190: ok 8375 # SSSR size matches reference
190: ok 8376 # correct SSSR count
190: ok 8377 # ring membership passed
190: ok 8378 # correct SSSR count
190: ok 8379 # ring membership passed
190: ok 8380 # correct SSSR count
190: ok 8381 # ring membership passed
190: ok 8382 # correct SSSR count
190: ok 8383 # ring membership passed
190: ok 8384 # correct SSSR count
190: ok 8385 # ring membership passed
190: ok 8386 # correct SSSR count
190: ok 8387 # ring membership passed
190: ok 8388 # correct SSSR count
190: ok 8389 # ring membership passed
190: ok 8390 # correct SSSR count
190: ok 8391 # ring membership passed
190: ok 8392 # correct SSSR count
190: ok 8393 # ring membership passed
190: ok 8394 # correct SSSR count
190: ok 8395 # ring membership passed
190: ok 8396 # correct SSSR count
190: ok 8397 # ring membership passed
190: ok 8398 # correct SSSR count
190: ok 8399 # ring membership passed
190: ok 8400 # correct SSSR count
190: ok 8401 # ring membership passed
190: ok 8402 # correct SSSR count
190: ok 8403 # ring membership passed
190: ok 8404 # correct SSSR count
190: ok 8405 # ring membership passed
190: ok 8406 # correct SSSR count
190: ok 8407 # ring membership passed
190: ok 8408 # correct SSSR count
190: ok 8409 # ring membership passed
190: ok 8410 # correct SSSR count
190: ok 8411 # ring membership passed
190: ok 8412 # correct SSSR count
190: ok 8413 # ring membership passed
190: ok 8414 # correct SSSR count
190: ok 8415 # ring membership passed
190: ok 8416 # correct ring bond data
190: ok 8417 # correct ring bond data
190: ok 8418 # correct ring bond data
190: ok 8419 # correct ring bond data
190: ok 8420 # correct ring bond data
190: ok 8421 # correct ring bond data
190: ok 8422 # correct ring bond data
190: ok 8423 # correct ring bond data
190: ok 8424 # correct ring bond data
190: ok 8425 # correct ring bond data
190: ok 8426 # correct ring bond data
190: ok 8427 # correct ring bond data
190: ok 8428 # correct ring bond data
190: ok 8429 # SSSR size matches reference
190: ok 8430 # correct SSSR count
190: ok 8431 # ring membership passed
190: ok 8432 # correct SSSR count
190: ok 8433 # ring membership passed
190: ok 8434 # correct SSSR count
190: ok 8435 # ring membership passed
190: ok 8436 # correct SSSR count
190: ok 8437 # ring membership passed
190: ok 8438 # correct SSSR count
190: ok 8439 # ring membership passed
190: ok 8440 # correct SSSR count
190: ok 8441 # ring membership passed
190: ok 8442 # correct SSSR count
190: ok 8443 # ring membership passed
190: ok 8444 # correct SSSR count
190: ok 8445 # ring membership passed
190: ok 8446 # correct SSSR count
190: ok 8447 # ring membership passed
190: ok 8448 # correct SSSR count
190: ok 8449 # ring membership passed
190: ok 8450 # correct SSSR count
190: ok 8451 # ring membership passed
190: ok 8452 # correct SSSR count
190: ok 8453 # ring membership passed
190: ok 8454 # correct SSSR count
190: ok 8455 # ring membership passed
190: ok 8456 # correct ring bond data
190: ok 8457 # correct ring bond data
190: ok 8458 # correct ring bond data
190: ok 8459 # correct ring bond data
190: ok 8460 # correct ring bond data
190: ok 8461 # correct ring bond data
190: ok 8462 # correct ring bond data
190: ok 8463 # correct ring bond data
190: ok 8464 # correct ring bond data
190: ok 8465 # correct ring bond data
190: ok 8466 # correct ring bond data
190: ok 8467 # correct ring bond data
190: ok 8468 # correct ring bond data
190: ok 8469 # correct ring bond data
190: ok 8470 # correct ring bond data
190: ok 8471 # correct ring bond data
190: ok 8472 # correct ring bond data
190: ok 8473 # correct ring bond data
190: ok 8474 # correct ring bond data
190: ok 8475 # SSSR size matches reference
190: ok 8476 # correct SSSR count
190: ok 8477 # ring membership passed
190: ok 8478 # correct SSSR count
190: ok 8479 # ring membership passed
190: ok 8480 # correct SSSR count
190: ok 8481 # ring membership passed
190: ok 8482 # correct SSSR count
190: ok 8483 # ring membership passed
190: ok 8484 # correct SSSR count
190: ok 8485 # ring membership passed
190: ok 8486 # correct SSSR count
190: ok 8487 # ring membership passed
190: ok 8488 # correct SSSR count
190: ok 8489 # ring membership passed
190: ok 8490 # correct SSSR count
190: ok 8491 # ring membership passed
190: ok 8492 # correct SSSR count
190: ok 8493 # ring membership passed
190: ok 8494 # correct SSSR count
190: ok 8495 # ring membership passed
190: ok 8496 # correct SSSR count
190: ok 8497 # ring membership passed
190: ok 8498 # correct SSSR count
190: ok 8499 # ring membership passed
190: ok 8500 # correct SSSR count
190: ok 8501 # ring membership passed
190: ok 8502 # correct SSSR count
190: ok 8503 # ring membership passed
190: ok 8504 # correct SSSR count
190: ok 8505 # ring membership passed
190: ok 8506 # correct SSSR count
190: ok 8507 # ring membership passed
190: ok 8508 # correct SSSR count
190: ok 8509 # ring membership passed
190: ok 8510 # correct SSSR count
190: ok 8511 # ring membership passed
190: ok 8512 # correct ring bond data
190: ok 8513 # correct ring bond data
190: ok 8514 # correct ring bond data
190: ok 8515 # correct ring bond data
190: ok 8516 # correct ring bond data
190: ok 8517 # correct ring bond data
190: ok 8518 # correct ring bond data
190: ok 8519 # correct ring bond data
190: ok 8520 # correct ring bond data
190: ok 8521 # correct ring bond data
190: ok 8522 # correct ring bond data
190: ok 8523 # correct ring bond data
190: ok 8524 # correct ring bond data
190: ok 8525 # correct ring bond data
190: ok 8526 # correct ring bond data
190: ok 8527 # correct ring bond data
190: ok 8528 # SSSR size matches reference
190: ok 8529 # correct SSSR count
190: ok 8530 # ring membership passed
190: ok 8531 # correct SSSR count
190: ok 8532 # ring membership passed
190: ok 8533 # correct SSSR count
190: ok 8534 # ring membership passed
190: ok 8535 # correct SSSR count
190: ok 8536 # ring membership passed
190: ok 8537 # correct SSSR count
190: ok 8538 # ring membership passed
190: ok 8539 # correct SSSR count
190: ok 8540 # ring membership passed
190: ok 8541 # correct SSSR count
190: ok 8542 # ring membership passed
190: ok 8543 # correct SSSR count
190: ok 8544 # ring membership passed
190: ok 8545 # correct SSSR count
190: ok 8546 # ring membership passed
190: ok 8547 # correct SSSR count
190: ok 8548 # ring membership passed
190: ok 8549 # correct SSSR count
190: ok 8550 # ring membership passed
190: ok 8551 # correct SSSR count
190: ok 8552 # ring membership passed
190: ok 8553 # correct SSSR count
190: ok 8554 # ring membership passed
190: ok 8555 # correct SSSR count
190: ok 8556 # ring membership passed
190: ok 8557 # correct SSSR count
190: ok 8558 # ring membership passed
190: ok 8559 # correct ring bond data
190: ok 8560 # correct ring bond data
190: ok 8561 # correct ring bond data
190: ok 8562 # correct ring bond data
190: ok 8563 # correct ring bond data
190: ok 8564 # correct ring bond data
190: ok 8565 # correct ring bond data
190: ok 8566 # correct ring bond data
190: ok 8567 # correct ring bond data
190: ok 8568 # correct ring bond data
190: ok 8569 # correct ring bond data
190: ok 8570 # correct ring bond data
190: ok 8571 # correct ring bond data
190: ok 8572 # correct ring bond data
190: ok 8573 # correct ring bond data
190: ok 8574 # correct ring bond data
190: ok 8575 # correct ring bond data
190: ok 8576 # correct ring bond data
190: ok 8577 # correct ring bond data
190: ok 8578 # SSSR size matches reference
190: ok 8579 # correct SSSR count
190: ok 8580 # ring membership passed
190: ok 8581 # correct SSSR count
190: ok 8582 # ring membership passed
190: ok 8583 # correct SSSR count
190: ok 8584 # ring membership passed
190: ok 8585 # correct SSSR count
190: ok 8586 # ring membership passed
190: ok 8587 # correct SSSR count
190: ok 8588 # ring membership passed
190: ok 8589 # correct SSSR count
190: ok 8590 # ring membership passed
190: ok 8591 # correct SSSR count
190: ok 8592 # ring membership passed
190: ok 8593 # correct SSSR count
190: ok 8594 # ring membership passed
190: ok 8595 # correct SSSR count
190: ok 8596 # ring membership passed
190: ok 8597 # correct SSSR count
190: ok 8598 # ring membership passed
190: ok 8599 # correct SSSR count
190: ok 8600 # ring membership passed
190: ok 8601 # correct SSSR count
190: ok 8602 # ring membership passed
190: ok 8603 # correct SSSR count
190: ok 8604 # ring membership passed
190: ok 8605 # correct SSSR count
190: ok 8606 # ring membership passed
190: ok 8607 # correct SSSR count
190: ok 8608 # ring membership passed
190: ok 8609 # correct SSSR count
190: ok 8610 # ring membership passed
190: ok 8611 # correct SSSR count
190: ok 8612 # ring membership passed
190: ok 8613 # correct SSSR count
190: ok 8614 # ring membership passed
190: ok 8615 # correct ring bond data
190: ok 8616 # correct ring bond data
190: ok 8617 # correct ring bond data
190: ok 8618 # correct ring bond data
190: ok 8619 # correct ring bond data
190: ok 8620 # correct ring bond data
190: ok 8621 # correct ring bond data
190: ok 8622 # correct ring bond data
190: ok 8623 # correct ring bond data
190: ok 8624 # correct ring bond data
190: ok 8625 # correct ring bond data
190: ok 8626 # correct ring bond data
190: ok 8627 # correct ring bond data
190: ok 8628 # correct ring bond data
190: ok 8629 # correct ring bond data
190: ok 8630 # correct ring bond data
190: ok 8631 # correct ring bond data
190: ok 8632 # correct ring bond data
190: ok 8633 # correct ring bond data
190: ok 8634 # correct ring bond data
190: ok 8635 # correct ring bond data
190: ok 8636 # correct ring bond data
190: ok 8637 # correct ring bond data
190: ok 8638 # correct ring bond data
190: ok 8639 # correct ring bond data
190: ok 8640 # correct ring bond data
190: ok 8641 # SSSR size matches reference
190: ok 8642 # correct SSSR count
190: ok 8643 # ring membership passed
190: ok 8644 # correct SSSR count
190: ok 8645 # ring membership passed
190: ok 8646 # correct SSSR count
190: ok 8647 # ring membership passed
190: ok 8648 # correct SSSR count
190: ok 8649 # ring membership passed
190: ok 8650 # correct SSSR count
190: ok 8651 # ring membership passed
190: ok 8652 # correct SSSR count
190: ok 8653 # ring membership passed
190: ok 8654 # correct SSSR count
190: ok 8655 # ring membership passed
190: ok 8656 # correct SSSR count
190: ok 8657 # ring membership passed
190: ok 8658 # correct SSSR count
190: ok 8659 # ring membership passed
190: ok 8660 # correct SSSR count
190: ok 8661 # ring membership passed
190: ok 8662 # correct SSSR count
190: ok 8663 # ring membership passed
190: ok 8664 # correct SSSR count
190: ok 8665 # ring membership passed
190: ok 8666 # correct SSSR count
190: ok 8667 # ring membership passed
190: ok 8668 # correct SSSR count
190: ok 8669 # ring membership passed
190: ok 8670 # correct SSSR count
190: ok 8671 # ring membership passed
190: ok 8672 # correct SSSR count
190: ok 8673 # ring membership passed
190: ok 8674 # correct SSSR count
190: ok 8675 # ring membership passed
190: ok 8676 # correct SSSR count
190: ok 8677 # ring membership passed
190: ok 8678 # correct SSSR count
190: ok 8679 # ring membership passed
190: ok 8680 # correct SSSR count
190: ok 8681 # ring membership passed
190: ok 8682 # correct SSSR count
190: ok 8683 # ring membership passed
190: ok 8684 # correct SSSR count
190: ok 8685 # ring membership passed
190: ok 8686 # correct SSSR count
190: ok 8687 # ring membership passed
190: ok 8688 # correct SSSR count
190: ok 8689 # ring membership passed
190: ok 8690 # correct ring bond data
190: ok 8691 # correct ring bond data
190: ok 8692 # correct ring bond data
190: ok 8693 # correct ring bond data
190: ok 8694 # correct ring bond data
190: ok 8695 # correct ring bond data
190: ok 8696 # correct ring bond data
190: ok 8697 # correct ring bond data
190: ok 8698 # correct ring bond data
190: ok 8699 # correct ring bond data
190: ok 8700 # correct ring bond data
190: ok 8701 # correct ring bond data
190: ok 8702 # correct ring bond data
190: ok 8703 # correct ring bond data
190: ok 8704 # correct ring bond data
190: ok 8705 # correct ring bond data
190: ok 8706 # correct ring bond data
190: ok 8707 # correct ring bond data
190: ok 8708 # correct ring bond data
190: ok 8709 # correct ring bond data
190: ok 8710 # correct ring bond data
190: ok 8711 # correct ring bond data
190: ok 8712 # correct ring bond data
190: ok 8713 # correct ring bond data
190: ok 8714 # correct ring bond data
190: ok 8715 # correct ring bond data
190: ok 8716 # correct ring bond data
190: ok 8717 # correct ring bond data
190: ok 8718 # correct ring bond data
190: ok 8719 # correct ring bond data
190: ok 8720 # correct ring bond data
190: ok 8721 # correct ring bond data
190: ok 8722 # correct ring bond data
190: ok 8723 # correct ring bond data
190: ok 8724 # SSSR size matches reference
190: ok 8725 # correct SSSR count
190: ok 8726 # ring membership passed
190: ok 8727 # correct SSSR count
190: ok 8728 # ring membership passed
190: ok 8729 # correct SSSR count
190: ok 8730 # ring membership passed
190: ok 8731 # correct SSSR count
190: ok 8732 # ring membership passed
190: ok 8733 # correct SSSR count
190: ok 8734 # ring membership passed
190: ok 8735 # correct SSSR count
190: ok 8736 # ring membership passed
190: ok 8737 # correct SSSR count
190: ok 8738 # ring membership passed
190: ok 8739 # correct SSSR count
190: ok 8740 # ring membership passed
190: ok 8741 # correct SSSR count
190: ok 8742 # ring membership passed
190: ok 8743 # correct SSSR count
190: ok 8744 # ring membership passed
190: ok 8745 # correct SSSR count
190: ok 8746 # ring membership passed
190: ok 8747 # correct SSSR count
190: ok 8748 # ring membership passed
190: ok 8749 # correct SSSR count
190: ok 8750 # ring membership passed
190: ok 8751 # correct SSSR count
190: ok 8752 # ring membership passed
190: ok 8753 # correct SSSR count
190: ok 8754 # ring membership passed
190: ok 8755 # correct SSSR count
190: ok 8756 # ring membership passed
190: ok 8757 # correct SSSR count
190: ok 8758 # ring membership passed
190: ok 8759 # correct SSSR count
190: ok 8760 # ring membership passed
190: ok 8761 # correct SSSR count
190: ok 8762 # ring membership passed
190: ok 8763 # correct SSSR count
190: ok 8764 # ring membership passed
190: ok 8765 # correct SSSR count
190: ok 8766 # ring membership passed
190: ok 8767 # correct SSSR count
190: ok 8768 # ring membership passed
190: ok 8769 # correct SSSR count
190: ok 8770 # ring membership passed
190: ok 8771 # correct SSSR count
190: ok 8772 # ring membership passed
190: ok 8773 # correct SSSR count
190: ok 8774 # ring membership passed
190: ok 8775 # correct SSSR count
190: ok 8776 # ring membership passed
190: ok 8777 # correct SSSR count
190: ok 8778 # ring membership passed
190: ok 8779 # correct SSSR count
190: ok 8780 # ring membership passed
190: ok 8781 # correct SSSR count
190: ok 8782 # ring membership passed
190: ok 8783 # correct SSSR count
190: ok 8784 # ring membership passed
190: ok 8785 # correct SSSR count
190: ok 8786 # ring membership passed
190: ok 8787 # correct SSSR count
190: ok 8788 # ring membership passed
190: ok 8789 # correct ring bond data
190: ok 8790 # correct ring bond data
190: ok 8791 # correct ring bond data
190: ok 8792 # correct ring bond data
190: ok 8793 # correct ring bond data
190: ok 8794 # correct ring bond data
190: ok 8795 # correct ring bond data
190: ok 8796 # correct ring bond data
190: ok 8797 # correct ring bond data
190: ok 8798 # correct ring bond data
190: ok 8799 # correct ring bond data
190: ok 8800 # correct ring bond data
190: ok 8801 # correct ring bond data
190: ok 8802 # correct ring bond data
190: ok 8803 # correct ring bond data
190: ok 8804 # correct ring bond data
190: ok 8805 # correct ring bond data
190: ok 8806 # correct ring bond data
190: ok 8807 # correct ring bond data
190: ok 8808 # correct ring bond data
190: ok 8809 # correct ring bond data
190: ok 8810 # correct ring bond data
190: ok 8811 # correct ring bond data
190: ok 8812 # correct ring bond data
190: ok 8813 # correct ring bond data
190: ok 8814 # correct ring bond data
190: ok 8815 # correct ring bond data
190: ok 8816 # correct ring bond data
190: ok 8817 # correct ring bond data
190: ok 8818 # correct ring bond data
190: ok 8819 # correct ring bond data
190: ok 8820 # SSSR size matches reference
190: ok 8821 # correct SSSR count
190: ok 8822 # ring membership passed
190: ok 8823 # correct SSSR count
190: ok 8824 # ring membership passed
190: ok 8825 # correct SSSR count
190: ok 8826 # ring membership passed
190: ok 8827 # correct SSSR count
190: ok 8828 # ring membership passed
190: ok 8829 # correct SSSR count
190: ok 8830 # ring membership passed
190: ok 8831 # correct SSSR count
190: ok 8832 # ring membership passed
190: ok 8833 # correct SSSR count
190: ok 8834 # ring membership passed
190: ok 8835 # correct SSSR count
190: ok 8836 # ring membership passed
190: ok 8837 # correct SSSR count
190: ok 8838 # ring membership passed
190: ok 8839 # correct SSSR count
190: ok 8840 # ring membership passed
190: ok 8841 # correct SSSR count
190: ok 8842 # ring membership passed
190: ok 8843 # correct SSSR count
190: ok 8844 # ring membership passed
190: ok 8845 # correct SSSR count
190: ok 8846 # ring membership passed
190: ok 8847 # correct SSSR count
190: ok 8848 # ring membership passed
190: ok 8849 # correct SSSR count
190: ok 8850 # ring membership passed
190: ok 8851 # correct SSSR count
190: ok 8852 # ring membership passed
190: ok 8853 # correct SSSR count
190: ok 8854 # ring membership passed
190: ok 8855 # correct SSSR count
190: ok 8856 # ring membership passed
190: ok 8857 # correct SSSR count
190: ok 8858 # ring membership passed
190: ok 8859 # correct SSSR count
190: ok 8860 # ring membership passed
190: ok 8861 # correct SSSR count
190: ok 8862 # ring membership passed
190: ok 8863 # correct SSSR count
190: ok 8864 # ring membership passed
190: ok 8865 # correct SSSR count
190: ok 8866 # ring membership passed
190: ok 8867 # correct SSSR count
190: ok 8868 # ring membership passed
190: ok 8869 # correct SSSR count
190: ok 8870 # ring membership passed
190: ok 8871 # correct SSSR count
190: ok 8872 # ring membership passed
190: ok 8873 # correct SSSR count
190: ok 8874 # ring membership passed
190: ok 8875 # correct SSSR count
190: ok 8876 # ring membership passed
190: ok 8877 # correct SSSR count
190: ok 8878 # ring membership passed
190: ok 8879 # correct ring bond data
190: ok 8880 # correct ring bond data
190: ok 8881 # correct ring bond data
190: ok 8882 # correct ring bond data
190: ok 8883 # correct ring bond data
190: ok 8884 # correct ring bond data
190: ok 8885 # correct ring bond data
190: ok 8886 # correct ring bond data
190: ok 8887 # correct ring bond data
190: ok 8888 # SSSR size matches reference
190: ok 8889 # correct SSSR count
190: ok 8890 # ring membership passed
190: ok 8891 # correct SSSR count
190: ok 8892 # ring membership passed
190: ok 8893 # correct SSSR count
190: ok 8894 # ring membership passed
190: ok 8895 # correct SSSR count
190: ok 8896 # ring membership passed
190: ok 8897 # correct SSSR count
190: ok 8898 # ring membership passed
190: ok 8899 # correct SSSR count
190: ok 8900 # ring membership passed
190: ok 8901 # correct SSSR count
190: ok 8902 # ring membership passed
190: ok 8903 # correct SSSR count
190: ok 8904 # ring membership passed
190: ok 8905 # correct SSSR count
190: ok 8906 # ring membership passed
190: ok 8907 # correct ring bond data
190: ok 8908 # correct ring bond data
190: ok 8909 # correct ring bond data
190: ok 8910 # correct ring bond data
190: ok 8911 # correct ring bond data
190: ok 8912 # correct ring bond data
190: ok 8913 # correct ring bond data
190: ok 8914 # correct ring bond data
190: ok 8915 # correct ring bond data
190: ok 8916 # correct ring bond data
190: ok 8917 # correct ring bond data
190: ok 8918 # correct ring bond data
190: ok 8919 # correct ring bond data
190: ok 8920 # correct ring bond data
190: ok 8921 # correct ring bond data
190: ok 8922 # correct ring bond data
190: ok 8923 # correct ring bond data
190: ok 8924 # correct ring bond data
190: ok 8925 # SSSR size matches reference
190: ok 8926 # correct SSSR count
190: ok 8927 # ring membership passed
190: ok 8928 # correct SSSR count
190: ok 8929 # ring membership passed
190: ok 8930 # correct SSSR count
190: ok 8931 # ring membership passed
190: ok 8932 # correct SSSR count
190: ok 8933 # ring membership passed
190: ok 8934 # correct SSSR count
190: ok 8935 # ring membership passed
190: ok 8936 # correct SSSR count
190: ok 8937 # ring membership passed
190: ok 8938 # correct SSSR count
190: ok 8939 # ring membership passed
190: ok 8940 # correct SSSR count
190: ok 8941 # ring membership passed
190: ok 8942 # correct SSSR count
190: ok 8943 # ring membership passed
190: ok 8944 # correct SSSR count
190: ok 8945 # ring membership passed
190: ok 8946 # correct SSSR count
190: ok 8947 # ring membership passed
190: ok 8948 # correct SSSR count
190: ok 8949 # ring membership passed
190: ok 8950 # correct SSSR count
190: ok 8951 # ring membership passed
190: ok 8952 # correct SSSR count
190: ok 8953 # ring membership passed
190: ok 8954 # correct SSSR count
190: ok 8955 # ring membership passed
190: ok 8956 # correct SSSR count
190: ok 8957 # ring membership passed
190: ok 8958 # correct SSSR count
190: ok 8959 # ring membership passed
190: ok 8960 # correct ring bond data
190: ok 8961 # correct ring bond data
190: ok 8962 # correct ring bond data
190: ok 8963 # correct ring bond data
190: ok 8964 # correct ring bond data
190: ok 8965 # correct ring bond data
190: ok 8966 # correct ring bond data
190: ok 8967 # correct ring bond data
190: ok 8968 # correct ring bond data
190: ok 8969 # correct ring bond data
190: ok 8970 # correct ring bond data
190: ok 8971 # correct ring bond data
190: ok 8972 # correct ring bond data
190: ok 8973 # correct ring bond data
190: ok 8974 # SSSR size matches reference
190: ok 8975 # correct SSSR count
190: ok 8976 # ring membership passed
190: ok 8977 # correct SSSR count
190: ok 8978 # ring membership passed
190: ok 8979 # correct SSSR count
190: ok 8980 # ring membership passed
190: ok 8981 # correct SSSR count
190: ok 8982 # ring membership passed
190: ok 8983 # correct SSSR count
190: ok 8984 # ring membership passed
190: ok 8985 # correct SSSR count
190: ok 8986 # ring membership passed
190: ok 8987 # correct SSSR count
190: ok 8988 # ring membership passed
190: ok 8989 # correct SSSR count
190: ok 8990 # ring membership passed
190: ok 8991 # correct SSSR count
190: ok 8992 # ring membership passed
190: ok 8993 # correct SSSR count
190: ok 8994 # ring membership passed
190: ok 8995 # correct SSSR count
190: ok 8996 # ring membership passed
190: ok 8997 # correct SSSR count
190: ok 8998 # ring membership passed
190: ok 8999 # correct SSSR count
190: ok 9000 # ring membership passed
190: ok 9001 # correct ring bond data
190: ok 9002 # correct ring bond data
190: ok 9003 # correct ring bond data
190: ok 9004 # correct ring bond data
190: ok 9005 # correct ring bond data
190: ok 9006 # correct ring bond data
190: ok 9007 # correct ring bond data
190: ok 9008 # correct ring bond data
190: ok 9009 # correct ring bond data
190: ok 9010 # correct ring bond data
190: ok 9011 # correct ring bond data
190: ok 9012 # correct ring bond data
190: ok 9013 # correct ring bond data
190: ok 9014 # correct ring bond data
190: ok 9015 # SSSR size matches reference
190: ok 9016 # correct SSSR count
190: ok 9017 # ring membership passed
190: ok 9018 # correct SSSR count
190: ok 9019 # ring membership passed
190: ok 9020 # correct SSSR count
190: ok 9021 # ring membership passed
190: ok 9022 # correct SSSR count
190: ok 9023 # ring membership passed
190: ok 9024 # correct SSSR count
190: ok 9025 # ring membership passed
190: ok 9026 # correct SSSR count
190: ok 9027 # ring membership passed
190: ok 9028 # correct SSSR count
190: ok 9029 # ring membership passed
190: ok 9030 # correct SSSR count
190: ok 9031 # ring membership passed
190: ok 9032 # correct SSSR count
190: ok 9033 # ring membership passed
190: ok 9034 # correct SSSR count
190: ok 9035 # ring membership passed
190: ok 9036 # correct SSSR count
190: ok 9037 # ring membership passed
190: ok 9038 # correct SSSR count
190: ok 9039 # ring membership passed
190: ok 9040 # correct SSSR count
190: ok 9041 # ring membership passed
190: ok 9042 # correct SSSR count
190: ok 9043 # ring membership passed
190: ok 9044 # correct ring bond data
190: ok 9045 # correct ring bond data
190: ok 9046 # correct ring bond data
190: ok 9047 # correct ring bond data
190: ok 9048 # correct ring bond data
190: ok 9049 # correct ring bond data
190: ok 9050 # correct ring bond data
190: ok 9051 # correct ring bond data
190: ok 9052 # correct ring bond data
190: ok 9053 # correct ring bond data
190: ok 9054 # correct ring bond data
190: ok 9055 # SSSR size matches reference
190: ok 9056 # correct SSSR count
190: ok 9057 # ring membership passed
190: ok 9058 # correct SSSR count
190: ok 9059 # ring membership passed
190: ok 9060 # correct SSSR count
190: ok 9061 # ring membership passed
190: ok 9062 # correct SSSR count
190: ok 9063 # ring membership passed
190: ok 9064 # correct SSSR count
190: ok 9065 # ring membership passed
190: ok 9066 # correct SSSR count
190: ok 9067 # ring membership passed
190: ok 9068 # correct SSSR count
190: ok 9069 # ring membership passed
190: ok 9070 # correct SSSR count
190: ok 9071 # ring membership passed
190: ok 9072 # correct SSSR count
190: ok 9073 # ring membership passed
190: ok 9074 # correct SSSR count
190: ok 9075 # ring membership passed
190: ok 9076 # correct SSSR count
190: ok 9077 # ring membership passed
190: ok 9078 # correct SSSR count
190: ok 9079 # ring membership passed
190: ok 9080 # correct ring bond data
190: ok 9081 # correct ring bond data
190: ok 9082 # correct ring bond data
190: ok 9083 # correct ring bond data
190: ok 9084 # correct ring bond data
190: ok 9085 # correct ring bond data
190: ok 9086 # correct ring bond data
190: ok 9087 # correct ring bond data
190: ok 9088 # correct ring bond data
190: ok 9089 # correct ring bond data
190: ok 9090 # correct ring bond data
190: ok 9091 # correct ring bond data
190: ok 9092 # correct ring bond data
190: ok 9093 # correct ring bond data
190: ok 9094 # correct ring bond data
190: ok 9095 # correct ring bond data
190: ok 9096 # correct ring bond data
190: ok 9097 # correct ring bond data
190: ok 9098 # correct ring bond data
190: ok 9099 # correct ring bond data
190: ok 9100 # correct ring bond data
190: ok 9101 # correct ring bond data
190: ok 9102 # correct ring bond data
190: ok 9103 # correct ring bond data
190: ok 9104 # correct ring bond data
190: ok 9105 # correct ring bond data
190: ok 9106 # correct ring bond data
190: ok 9107 # correct ring bond data
190: ok 9108 # correct ring bond data
190: ok 9109 # SSSR size matches reference
190: ok 9110 # correct SSSR count
190: ok 9111 # ring membership passed
190: ok 9112 # correct SSSR count
190: ok 9113 # ring membership passed
190: ok 9114 # correct SSSR count
190: ok 9115 # ring membership passed
190: ok 9116 # correct SSSR count
190: ok 9117 # ring membership passed
190: ok 9118 # correct SSSR count
190: ok 9119 # ring membership passed
190: ok 9120 # correct SSSR count
190: ok 9121 # ring membership passed
190: ok 9122 # correct SSSR count
190: ok 9123 # ring membership passed
190: ok 9124 # correct SSSR count
190: ok 9125 # ring membership passed
190: ok 9126 # correct SSSR count
190: ok 9127 # ring membership passed
190: ok 9128 # correct SSSR count
190: ok 9129 # ring membership passed
190: ok 9130 # correct SSSR count
190: ok 9131 # ring membership passed
190: ok 9132 # correct SSSR count
190: ok 9133 # ring membership passed
190: ok 9134 # correct SSSR count
190: ok 9135 # ring membership passed
190: ok 9136 # correct SSSR count
190: ok 9137 # ring membership passed
190: ok 9138 # correct SSSR count
190: ok 9139 # ring membership passed
190: ok 9140 # correct SSSR count
190: ok 9141 # ring membership passed
190: ok 9142 # correct SSSR count
190: ok 9143 # ring membership passed
190: ok 9144 # correct SSSR count
190: ok 9145 # ring membership passed
190: ok 9146 # correct SSSR count
190: ok 9147 # ring membership passed
190: ok 9148 # correct SSSR count
190: ok 9149 # ring membership passed
190: ok 9150 # correct SSSR count
190: ok 9151 # ring membership passed
190: ok 9152 # correct SSSR count
190: ok 9153 # ring membership passed
190: ok 9154 # correct SSSR count
190: ok 9155 # ring membership passed
190: ok 9156 # correct SSSR count
190: ok 9157 # ring membership passed
190: ok 9158 # correct SSSR count
190: ok 9159 # ring membership passed
190: ok 9160 # correct SSSR count
190: ok 9161 # ring membership passed
190: ok 9162 # correct SSSR count
190: ok 9163 # ring membership passed
190: ok 9164 # correct SSSR count
190: ok 9165 # ring membership passed
190: ok 9166 # correct ring bond data
190: ok 9167 # correct ring bond data
190: ok 9168 # correct ring bond data
190: ok 9169 # correct ring bond data
190: ok 9170 # correct ring bond data
190: ok 9171 # correct ring bond data
190: ok 9172 # correct ring bond data
190: ok 9173 # correct ring bond data
190: ok 9174 # correct ring bond data
190: ok 9175 # correct ring bond data
190: ok 9176 # correct ring bond data
190: ok 9177 # correct ring bond data
190: ok 9178 # correct ring bond data
190: ok 9179 # correct ring bond data
190: ok 9180 # correct ring bond data
190: ok 9181 # correct ring bond data
190: ok 9182 # correct ring bond data
190: ok 9183 # correct ring bond data
190: ok 9184 # correct ring bond data
190: ok 9185 # correct ring bond data
190: ok 9186 # correct ring bond data
190: ok 9187 # correct ring bond data
190: ok 9188 # correct ring bond data
190: ok 9189 # correct ring bond data
190: ok 9190 # correct ring bond data
190: ok 9191 # correct ring bond data
190: ok 9192 # correct ring bond data
190: ok 9193 # correct ring bond data
190: ok 9194 # correct ring bond data
190: ok 9195 # correct ring bond data
190: ok 9196 # correct ring bond data
190: ok 9197 # SSSR size matches reference
190: ok 9198 # correct SSSR count
190: ok 9199 # ring membership passed
190: ok 9200 # correct SSSR count
190: ok 9201 # ring membership passed
190: ok 9202 # correct SSSR count
190: ok 9203 # ring membership passed
190: ok 9204 # correct SSSR count
190: ok 9205 # ring membership passed
190: ok 9206 # correct SSSR count
190: ok 9207 # ring membership passed
190: ok 9208 # correct SSSR count
190: ok 9209 # ring membership passed
190: ok 9210 # correct SSSR count
190: ok 9211 # ring membership passed
190: ok 9212 # correct SSSR count
190: ok 9213 # ring membership passed
190: ok 9214 # correct SSSR count
190: ok 9215 # ring membership passed
190: ok 9216 # correct SSSR count
190: ok 9217 # ring membership passed
190: ok 9218 # correct SSSR count
190: ok 9219 # ring membership passed
190: ok 9220 # correct SSSR count
190: ok 9221 # ring membership passed
190: ok 9222 # correct SSSR count
190: ok 9223 # ring membership passed
190: ok 9224 # correct SSSR count
190: ok 9225 # ring membership passed
190: ok 9226 # correct SSSR count
190: ok 9227 # ring membership passed
190: ok 9228 # correct SSSR count
190: ok 9229 # ring membership passed
190: ok 9230 # correct SSSR count
190: ok 9231 # ring membership passed
190: ok 9232 # correct SSSR count
190: ok 9233 # ring membership passed
190: ok 9234 # correct SSSR count
190: ok 9235 # ring membership passed
190: ok 9236 # correct SSSR count
190: ok 9237 # ring membership passed
190: ok 9238 # correct SSSR count
190: ok 9239 # ring membership passed
190: ok 9240 # correct SSSR count
190: ok 9241 # ring membership passed
190: ok 9242 # correct SSSR count
190: ok 9243 # ring membership passed
190: ok 9244 # correct SSSR count
190: ok 9245 # ring membership passed
190: ok 9246 # correct SSSR count
190: ok 9247 # ring membership passed
190: ok 9248 # correct SSSR count
190: ok 9249 # ring membership passed
190: ok 9250 # correct SSSR count
190: ok 9251 # ring membership passed
190: ok 9252 # correct SSSR count
190: ok 9253 # ring membership passed
190: ok 9254 # correct ring bond data
190: ok 9255 # correct ring bond data
190: ok 9256 # correct ring bond data
190: ok 9257 # correct ring bond data
190: ok 9258 # correct ring bond data
190: ok 9259 # correct ring bond data
190: ok 9260 # correct ring bond data
190: ok 9261 # correct ring bond data
190: ok 9262 # correct ring bond data
190: ok 9263 # correct ring bond data
190: ok 9264 # correct ring bond data
190: ok 9265 # correct ring bond data
190: ok 9266 # correct ring bond data
190: ok 9267 # correct ring bond data
190: ok 9268 # correct ring bond data
190: ok 9269 # correct ring bond data
190: ok 9270 # correct ring bond data
190: ok 9271 # correct ring bond data
190: ok 9272 # correct ring bond data
190: ok 9273 # SSSR size matches reference
190: ok 9274 # correct SSSR count
190: ok 9275 # ring membership passed
190: ok 9276 # correct SSSR count
190: ok 9277 # ring membership passed
190: ok 9278 # correct SSSR count
190: ok 9279 # ring membership passed
190: ok 9280 # correct SSSR count
190: ok 9281 # ring membership passed
190: ok 9282 # correct SSSR count
190: ok 9283 # ring membership passed
190: ok 9284 # correct SSSR count
190: ok 9285 # ring membership passed
190: ok 9286 # correct SSSR count
190: ok 9287 # ring membership passed
190: ok 9288 # correct SSSR count
190: ok 9289 # ring membership passed
190: ok 9290 # correct SSSR count
190: ok 9291 # ring membership passed
190: ok 9292 # correct SSSR count
190: ok 9293 # ring membership passed
190: ok 9294 # correct SSSR count
190: ok 9295 # ring membership passed
190: ok 9296 # correct SSSR count
190: ok 9297 # ring membership passed
190: ok 9298 # correct SSSR count
190: ok 9299 # ring membership passed
190: ok 9300 # correct SSSR count
190: ok 9301 # ring membership passed
190: ok 9302 # correct SSSR count
190: ok 9303 # ring membership passed
190: ok 9304 # correct SSSR count
190: ok 9305 # ring membership passed
190: ok 9306 # correct SSSR count
190: ok 9307 # ring membership passed
190: ok 9308 # correct SSSR count
190: ok 9309 # ring membership passed
190: ok 9310 # correct SSSR count
190: ok 9311 # ring membership passed
190: ok 9312 # correct ring bond data
190: ok 9313 # correct ring bond data
190: ok 9314 # correct ring bond data
190: ok 9315 # correct ring bond data
190: ok 9316 # correct ring bond data
190: ok 9317 # correct ring bond data
190: ok 9318 # correct ring bond data
190: ok 9319 # correct ring bond data
190: ok 9320 # correct ring bond data
190: ok 9321 # correct ring bond data
190: ok 9322 # correct ring bond data
190: ok 9323 # correct ring bond data
190: ok 9324 # correct ring bond data
190: ok 9325 # correct ring bond data
190: ok 9326 # correct ring bond data
190: ok 9327 # correct ring bond data
190: ok 9328 # correct ring bond data
190: ok 9329 # correct ring bond data
190: ok 9330 # correct ring bond data
190: ok 9331 # correct ring bond data
190: ok 9332 # correct ring bond data
190: ok 9333 # correct ring bond data
190: ok 9334 # correct ring bond data
190: ok 9335 # correct ring bond data
190: ok 9336 # correct ring bond data
190: ok 9337 # SSSR size matches reference
190: ok 9338 # correct SSSR count
190: ok 9339 # ring membership passed
190: ok 9340 # correct SSSR count
190: ok 9341 # ring membership passed
190: ok 9342 # correct SSSR count
190: ok 9343 # ring membership passed
190: ok 9344 # correct SSSR count
190: ok 9345 # ring membership passed
190: ok 9346 # correct SSSR count
190: ok 9347 # ring membership passed
190: ok 9348 # correct SSSR count
190: ok 9349 # ring membership passed
190: ok 9350 # correct SSSR count
190: ok 9351 # ring membership passed
190: ok 9352 # correct SSSR count
190: ok 9353 # ring membership passed
190: ok 9354 # correct SSSR count
190: ok 9355 # ring membership passed
190: ok 9356 # correct SSSR count
190: ok 9357 # ring membership passed
190: ok 9358 # correct SSSR count
190: ok 9359 # ring membership passed
190: ok 9360 # correct SSSR count
190: ok 9361 # ring membership passed
190: ok 9362 # correct SSSR count
190: ok 9363 # ring membership passed
190: ok 9364 # correct SSSR count
190: ok 9365 # ring membership passed
190: ok 9366 # correct SSSR count
190: ok 9367 # ring membership passed
190: ok 9368 # correct SSSR count
190: ok 9369 # ring membership passed
190: ok 9370 # correct SSSR count
190: ok 9371 # ring membership passed
190: ok 9372 # correct SSSR count
190: ok 9373 # ring membership passed
190: ok 9374 # correct SSSR count
190: ok 9375 # ring membership passed
190: ok 9376 # correct SSSR count
190: ok 9377 # ring membership passed
190: ok 9378 # correct SSSR count
190: ok 9379 # ring membership passed
190: ok 9380 # correct SSSR count
190: ok 9381 # ring membership passed
190: ok 9382 # correct ring bond data
190: ok 9383 # correct ring bond data
190: ok 9384 # correct ring bond data
190: ok 9385 # correct ring bond data
190: ok 9386 # correct ring bond data
190: ok 9387 # correct ring bond data
190: ok 9388 # correct ring bond data
190: ok 9389 # correct ring bond data
190: ok 9390 # correct ring bond data
190: ok 9391 # correct ring bond data
190: ok 9392 # correct ring bond data
190: ok 9393 # correct ring bond data
190: ok 9394 # correct ring bond data
190: ok 9395 # correct ring bond data
190: ok 9396 # correct ring bond data
190: ok 9397 # correct ring bond data
190: ok 9398 # correct ring bond data
190: ok 9399 # correct ring bond data
190: ok 9400 # SSSR size matches reference
190: ok 9401 # correct SSSR count
190: ok 9402 # ring membership passed
190: ok 9403 # correct SSSR count
190: ok 9404 # ring membership passed
190: ok 9405 # correct SSSR count
190: ok 9406 # ring membership passed
190: ok 9407 # correct SSSR count
190: ok 9408 # ring membership passed
190: ok 9409 # correct SSSR count
190: ok 9410 # ring membership passed
190: ok 9411 # correct SSSR count
190: ok 9412 # ring membership passed
190: ok 9413 # correct SSSR count
190: ok 9414 # ring membership passed
190: ok 9415 # correct SSSR count
190: ok 9416 # ring membership passed
190: ok 9417 # correct SSSR count
190: ok 9418 # ring membership passed
190: ok 9419 # correct SSSR count
190: ok 9420 # ring membership passed
190: ok 9421 # correct SSSR count
190: ok 9422 # ring membership passed
190: ok 9423 # correct SSSR count
190: ok 9424 # ring membership passed
190: ok 9425 # correct SSSR count
190: ok 9426 # ring membership passed
190: ok 9427 # correct SSSR count
190: ok 9428 # ring membership passed
190: ok 9429 # correct SSSR count
190: ok 9430 # ring membership passed
190: ok 9431 # correct SSSR count
190: ok 9432 # ring membership passed
190: ok 9433 # correct SSSR count
190: ok 9434 # ring membership passed
190: ok 9435 # correct ring bond data
190: ok 9436 # correct ring bond data
190: ok 9437 # correct ring bond data
190: ok 9438 # correct ring bond data
190: ok 9439 # correct ring bond data
190: ok 9440 # correct ring bond data
190: ok 9441 # correct ring bond data
190: ok 9442 # correct ring bond data
190: ok 9443 # correct ring bond data
190: ok 9444 # correct ring bond data
190: ok 9445 # correct ring bond data
190: ok 9446 # correct ring bond data
190: ok 9447 # correct ring bond data
190: ok 9448 # correct ring bond data
190: ok 9449 # correct ring bond data
190: ok 9450 # correct ring bond data
190: ok 9451 # correct ring bond data
190: ok 9452 # correct ring bond data
190: ok 9453 # correct ring bond data
190: ok 9454 # correct ring bond data
190: ok 9455 # correct ring bond data
190: ok 9456 # correct ring bond data
190: ok 9457 # correct ring bond data
190: ok 9458 # correct ring bond data
190: ok 9459 # correct ring bond data
190: ok 9460 # correct ring bond data
190: ok 9461 # correct ring bond data
190: ok 9462 # SSSR size matches reference
190: ok 9463 # correct SSSR count
190: ok 9464 # ring membership passed
190: ok 9465 # correct SSSR count
190: ok 9466 # ring membership passed
190: ok 9467 # correct SSSR count
190: ok 9468 # ring membership passed
190: ok 9469 # correct SSSR count
190: ok 9470 # ring membership passed
190: ok 9471 # correct SSSR count
190: ok 9472 # ring membership passed
190: ok 9473 # correct SSSR count
190: ok 9474 # ring membership passed
190: ok 9475 # correct SSSR count
190: ok 9476 # ring membership passed
190: ok 9477 # correct SSSR count
190: ok 9478 # ring membership passed
190: ok 9479 # correct SSSR count
190: ok 9480 # ring membership passed
190: ok 9481 # correct SSSR count
190: ok 9482 # ring membership passed
190: ok 9483 # correct SSSR count
190: ok 9484 # ring membership passed
190: ok 9485 # correct SSSR count
190: ok 9486 # ring membership passed
190: ok 9487 # correct SSSR count
190: ok 9488 # ring membership passed
190: ok 9489 # correct SSSR count
190: ok 9490 # ring membership passed
190: ok 9491 # correct SSSR count
190: ok 9492 # ring membership passed
190: ok 9493 # correct SSSR count
190: ok 9494 # ring membership passed
190: ok 9495 # correct SSSR count
190: ok 9496 # ring membership passed
190: ok 9497 # correct SSSR count
190: ok 9498 # ring membership passed
190: ok 9499 # correct SSSR count
190: ok 9500 # ring membership passed
190: ok 9501 # correct SSSR count
190: ok 9502 # ring membership passed
190: ok 9503 # correct SSSR count
190: ok 9504 # ring membership passed
190: ok 9505 # correct SSSR count
190: ok 9506 # ring membership passed
190: ok 9507 # correct SSSR count
190: ok 9508 # ring membership passed
190: ok 9509 # correct SSSR count
190: ok 9510 # ring membership passed
190: ok 9511 # correct SSSR count
190: ok 9512 # ring membership passed
190: ok 9513 # correct ring bond data
190: ok 9514 # correct ring bond data
190: ok 9515 # correct ring bond data
190: ok 9516 # correct ring bond data
190: ok 9517 # correct ring bond data
190: ok 9518 # correct ring bond data
190: ok 9519 # correct ring bond data
190: ok 9520 # correct ring bond data
190: ok 9521 # correct ring bond data
190: ok 9522 # correct ring bond data
190: ok 9523 # correct ring bond data
190: ok 9524 # correct ring bond data
190: ok 9525 # correct ring bond data
190: ok 9526 # correct ring bond data
190: ok 9527 # correct ring bond data
190: ok 9528 # correct ring bond data
190: ok 9529 # correct ring bond data
190: ok 9530 # correct ring bond data
190: ok 9531 # correct ring bond data
190: ok 9532 # correct ring bond data
190: ok 9533 # correct ring bond data
190: ok 9534 # correct ring bond data
190: ok 9535 # correct ring bond data
190: ok 9536 # correct ring bond data
190: ok 9537 # SSSR size matches reference
190: ok 9538 # correct SSSR count
190: ok 9539 # ring membership passed
190: ok 9540 # correct SSSR count
190: ok 9541 # ring membership passed
190: ok 9542 # correct SSSR count
190: ok 9543 # ring membership passed
190: ok 9544 # correct SSSR count
190: ok 9545 # ring membership passed
190: ok 9546 # correct SSSR count
190: ok 9547 # ring membership passed
190: ok 9548 # correct SSSR count
190: ok 9549 # ring membership passed
190: ok 9550 # correct SSSR count
190: ok 9551 # ring membership passed
190: ok 9552 # correct SSSR count
190: ok 9553 # ring membership passed
190: ok 9554 # correct SSSR count
190: ok 9555 # ring membership passed
190: ok 9556 # correct SSSR count
190: ok 9557 # ring membership passed
190: ok 9558 # correct SSSR count
190: ok 9559 # ring membership passed
190: ok 9560 # correct SSSR count
190: ok 9561 # ring membership passed
190: ok 9562 # correct SSSR count
190: ok 9563 # ring membership passed
190: ok 9564 # correct SSSR count
190: ok 9565 # ring membership passed
190: ok 9566 # correct SSSR count
190: ok 9567 # ring membership passed
190: ok 9568 # correct SSSR count
190: ok 9569 # ring membership passed
190: ok 9570 # correct SSSR count
190: ok 9571 # ring membership passed
190: ok 9572 # correct SSSR count
190: ok 9573 # ring membership passed
190: ok 9574 # correct SSSR count
190: ok 9575 # ring membership passed
190: ok 9576 # correct SSSR count
190: ok 9577 # ring membership passed
190: ok 9578 # correct SSSR count
190: ok 9579 # ring membership passed
190: ok 9580 # correct SSSR count
190: ok 9581 # ring membership passed
190: ok 9582 # correct SSSR count
190: ok 9583 # ring membership passed
190: ok 9584 # correct ring bond data
190: ok 9585 # correct ring bond data
190: ok 9586 # correct ring bond data
190: ok 9587 # correct ring bond data
190: ok 9588 # correct ring bond data
190: ok 9589 # correct ring bond data
190: ok 9590 # correct ring bond data
190: ok 9591 # correct ring bond data
190: ok 9592 # correct ring bond data
190: ok 9593 # correct ring bond data
190: ok 9594 # correct ring bond data
190: ok 9595 # correct ring bond data
190: ok 9596 # correct ring bond data
190: ok 9597 # correct ring bond data
190: ok 9598 # correct ring bond data
190: ok 9599 # correct ring bond data
190: ok 9600 # correct ring bond data
190: ok 9601 # correct ring bond data
190: ok 9602 # correct ring bond data
190: ok 9603 # correct ring bond data
190: ok 9604 # correct ring bond data
190: ok 9605 # correct ring bond data
190: ok 9606 # correct ring bond data
190: ok 9607 # correct ring bond data
190: ok 9608 # SSSR size matches reference
190: ok 9609 # correct SSSR count
190: ok 9610 # ring membership passed
190: ok 9611 # correct SSSR count
190: ok 9612 # ring membership passed
190: ok 9613 # correct SSSR count
190: ok 9614 # ring membership passed
190: ok 9615 # correct SSSR count
190: ok 9616 # ring membership passed
190: ok 9617 # correct SSSR count
190: ok 9618 # ring membership passed
190: ok 9619 # correct SSSR count
190: ok 9620 # ring membership passed
190: ok 9621 # correct SSSR count
190: ok 9622 # ring membership passed
190: ok 9623 # correct SSSR count
190: ok 9624 # ring membership passed
190: ok 9625 # correct SSSR count
190: ok 9626 # ring membership passed
190: ok 9627 # correct SSSR count
190: ok 9628 # ring membership passed
190: ok 9629 # correct SSSR count
190: ok 9630 # ring membership passed
190: ok 9631 # correct SSSR count
190: ok 9632 # ring membership passed
190: ok 9633 # correct SSSR count
190: ok 9634 # ring membership passed
190: ok 9635 # correct SSSR count
190: ok 9636 # ring membership passed
190: ok 9637 # correct SSSR count
190: ok 9638 # ring membership passed
190: ok 9639 # correct SSSR count
190: ok 9640 # ring membership passed
190: ok 9641 # correct SSSR count
190: ok 9642 # ring membership passed
190: ok 9643 # correct SSSR count
190: ok 9644 # ring membership passed
190: ok 9645 # correct SSSR count
190: ok 9646 # ring membership passed
190: ok 9647 # correct SSSR count
190: ok 9648 # ring membership passed
190: ok 9649 # correct SSSR count
190: ok 9650 # ring membership passed
190: ok 9651 # correct SSSR count
190: ok 9652 # ring membership passed
190: ok 9653 # correct ring bond data
190: ok 9654 # correct ring bond data
190: ok 9655 # correct ring bond data
190: ok 9656 # correct ring bond data
190: ok 9657 # correct ring bond data
190: ok 9658 # correct ring bond data
190: ok 9659 # correct ring bond data
190: ok 9660 # correct ring bond data
190: ok 9661 # correct ring bond data
190: ok 9662 # correct ring bond data
190: ok 9663 # correct ring bond data
190: ok 9664 # correct ring bond data
190: ok 9665 # correct ring bond data
190: ok 9666 # correct ring bond data
190: ok 9667 # correct ring bond data
190: ok 9668 # correct ring bond data
190: ok 9669 # correct ring bond data
190: ok 9670 # correct ring bond data
190: ok 9671 # correct ring bond data
190: ok 9672 # correct ring bond data
190: ok 9673 # correct ring bond data
190: ok 9674 # correct ring bond data
190: ok 9675 # correct ring bond data
190: ok 9676 # correct ring bond data
190: ok 9677 # correct ring bond data
190: ok 9678 # correct ring bond data
190: ok 9679 # correct ring bond data
190: ok 9680 # correct ring bond data
190: ok 9681 # correct ring bond data
190: ok 9682 # SSSR size matches reference
190: ok 9683 # correct SSSR count
190: ok 9684 # ring membership passed
190: ok 9685 # correct SSSR count
190: ok 9686 # ring membership passed
190: ok 9687 # correct SSSR count
190: ok 9688 # ring membership passed
190: ok 9689 # correct SSSR count
190: ok 9690 # ring membership passed
190: ok 9691 # correct SSSR count
190: ok 9692 # ring membership passed
190: ok 9693 # correct SSSR count
190: ok 9694 # ring membership passed
190: ok 9695 # correct SSSR count
190: ok 9696 # ring membership passed
190: ok 9697 # correct SSSR count
190: ok 9698 # ring membership passed
190: ok 9699 # correct SSSR count
190: ok 9700 # ring membership passed
190: ok 9701 # correct SSSR count
190: ok 9702 # ring membership passed
190: ok 9703 # correct SSSR count
190: ok 9704 # ring membership passed
190: ok 9705 # correct SSSR count
190: ok 9706 # ring membership passed
190: ok 9707 # correct SSSR count
190: ok 9708 # ring membership passed
190: ok 9709 # correct SSSR count
190: ok 9710 # ring membership passed
190: ok 9711 # correct SSSR count
190: ok 9712 # ring membership passed
190: ok 9713 # correct SSSR count
190: ok 9714 # ring membership passed
190: ok 9715 # correct SSSR count
190: ok 9716 # ring membership passed
190: ok 9717 # correct SSSR count
190: ok 9718 # ring membership passed
190: ok 9719 # correct SSSR count
190: ok 9720 # ring membership passed
190: ok 9721 # correct SSSR count
190: ok 9722 # ring membership passed
190: ok 9723 # correct SSSR count
190: ok 9724 # ring membership passed
190: ok 9725 # correct SSSR count
190: ok 9726 # ring membership passed
190: ok 9727 # correct SSSR count
190: ok 9728 # ring membership passed
190: ok 9729 # correct SSSR count
190: ok 9730 # ring membership passed
190: ok 9731 # correct SSSR count
190: ok 9732 # ring membership passed
190: ok 9733 # correct SSSR count
190: ok 9734 # ring membership passed
190: ok 9735 # correct SSSR count
190: ok 9736 # ring membership passed
190: ok 9737 # correct ring bond data
190: ok 9738 # correct ring bond data
190: ok 9739 # correct ring bond data
190: ok 9740 # correct ring bond data
190: ok 9741 # correct ring bond data
190: ok 9742 # correct ring bond data
190: ok 9743 # correct ring bond data
190: ok 9744 # correct ring bond data
190: ok 9745 # correct ring bond data
190: ok 9746 # correct ring bond data
190: ok 9747 # correct ring bond data
190: ok 9748 # correct ring bond data
190: ok 9749 # correct ring bond data
190: ok 9750 # correct ring bond data
190: ok 9751 # correct ring bond data
190: ok 9752 # correct ring bond data
190: ok 9753 # correct ring bond data
190: ok 9754 # correct ring bond data
190: ok 9755 # correct ring bond data
190: ok 9756 # correct ring bond data
190: ok 9757 # correct ring bond data
190: ok 9758 # correct ring bond data
190: ok 9759 # correct ring bond data
190: ok 9760 # correct ring bond data
190: ok 9761 # correct ring bond data
190: ok 9762 # correct ring bond data
190: ok 9763 # correct ring bond data
190: ok 9764 # correct ring bond data
190: ok 9765 # correct ring bond data
190: ok 9766 # SSSR size matches reference
190: ok 9767 # correct SSSR count
190: ok 9768 # ring membership passed
190: ok 9769 # correct SSSR count
190: ok 9770 # ring membership passed
190: ok 9771 # correct SSSR count
190: ok 9772 # ring membership passed
190: ok 9773 # correct SSSR count
190: ok 9774 # ring membership passed
190: ok 9775 # correct SSSR count
190: ok 9776 # ring membership passed
190: ok 9777 # correct SSSR count
190: ok 9778 # ring membership passed
190: ok 9779 # correct SSSR count
190: ok 9780 # ring membership passed
190: ok 9781 # correct SSSR count
190: ok 9782 # ring membership passed
190: ok 9783 # correct SSSR count
190: ok 9784 # ring membership passed
190: ok 9785 # correct SSSR count
190: ok 9786 # ring membership passed
190: ok 9787 # correct SSSR count
190: ok 9788 # ring membership passed
190: ok 9789 # correct SSSR count
190: ok 9790 # ring membership passed
190: ok 9791 # correct SSSR count
190: ok 9792 # ring membership passed
190: ok 9793 # correct SSSR count
190: ok 9794 # ring membership passed
190: ok 9795 # correct SSSR count
190: ok 9796 # ring membership passed
190: ok 9797 # correct SSSR count
190: ok 9798 # ring membership passed
190: ok 9799 # correct SSSR count
190: ok 9800 # ring membership passed
190: ok 9801 # correct SSSR count
190: ok 9802 # ring membership passed
190: ok 9803 # correct SSSR count
190: ok 9804 # ring membership passed
190: ok 9805 # correct SSSR count
190: ok 9806 # ring membership passed
190: ok 9807 # correct SSSR count
190: ok 9808 # ring membership passed
190: ok 9809 # correct SSSR count
190: ok 9810 # ring membership passed
190: ok 9811 # correct SSSR count
190: ok 9812 # ring membership passed
190: ok 9813 # correct SSSR count
190: ok 9814 # ring membership passed
190: ok 9815 # correct SSSR count
190: ok 9816 # ring membership passed
190: ok 9817 # correct SSSR count
190: ok 9818 # ring membership passed
190: ok 9819 # correct SSSR count
190: ok 9820 # ring membership passed
190: ok 9821 # correct ring bond data
190: ok 9822 # correct ring bond data
190: ok 9823 # correct ring bond data
190: ok 9824 # correct ring bond data
190: ok 9825 # correct ring bond data
190: ok 9826 # correct ring bond data
190: ok 9827 # correct ring bond data
190: ok 9828 # correct ring bond data
190: ok 9829 # correct ring bond data
190: ok 9830 # correct ring bond data
190: ok 9831 # correct ring bond data
190: ok 9832 # correct ring bond data
190: ok 9833 # correct ring bond data
190: ok 9834 # correct ring bond data
190: ok 9835 # correct ring bond data
190: ok 9836 # correct ring bond data
190: ok 9837 # correct ring bond data
190: ok 9838 # SSSR size matches reference
190: ok 9839 # correct SSSR count
190: ok 9840 # ring membership passed
190: ok 9841 # correct SSSR count
190: ok 9842 # ring membership passed
190: ok 9843 # correct SSSR count
190: ok 9844 # ring membership passed
190: ok 9845 # correct SSSR count
190: ok 9846 # ring membership passed
190: ok 9847 # correct SSSR count
190: ok 9848 # ring membership passed
190: ok 9849 # correct SSSR count
190: ok 9850 # ring membership passed
190: ok 9851 # correct SSSR count
190: ok 9852 # ring membership passed
190: ok 9853 # correct SSSR count
190: ok 9854 # ring membership passed
190: ok 9855 # correct SSSR count
190: ok 9856 # ring membership passed
190: ok 9857 # correct SSSR count
190: ok 9858 # ring membership passed
190: ok 9859 # correct SSSR count
190: ok 9860 # ring membership passed
190: ok 9861 # correct SSSR count
190: ok 9862 # ring membership passed
190: ok 9863 # correct SSSR count
190: ok 9864 # ring membership passed
190: ok 9865 # correct SSSR count
190: ok 9866 # ring membership passed
190: ok 9867 # correct SSSR count
190: ok 9868 # ring membership passed
190: ok 9869 # correct SSSR count
190: ok 9870 # ring membership passed
190: ok 9871 # correct ring bond data
190: ok 9872 # correct ring bond data
190: ok 9873 # correct ring bond data
190: ok 9874 # correct ring bond data
190: ok 9875 # correct ring bond data
190: ok 9876 # correct ring bond data
190: ok 9877 # correct ring bond data
190: ok 9878 # correct ring bond data
190: ok 9879 # correct ring bond data
190: ok 9880 # correct ring bond data
190: ok 9881 # correct ring bond data
190: ok 9882 # correct ring bond data
190: ok 9883 # correct ring bond data
190: ok 9884 # correct ring bond data
190: ok 9885 # correct ring bond data
190: ok 9886 # correct ring bond data
190: ok 9887 # correct ring bond data
190: ok 9888 # correct ring bond data
190: ok 9889 # SSSR size matches reference
190: ok 9890 # correct SSSR count
190: ok 9891 # ring membership passed
190: ok 9892 # correct SSSR count
190: ok 9893 # ring membership passed
190: ok 9894 # correct SSSR count
190: ok 9895 # ring membership passed
190: ok 9896 # correct SSSR count
190: ok 9897 # ring membership passed
190: ok 9898 # correct SSSR count
190: ok 9899 # ring membership passed
190: ok 9900 # correct SSSR count
190: ok 9901 # ring membership passed
190: ok 9902 # correct SSSR count
190: ok 9903 # ring membership passed
190: ok 9904 # correct SSSR count
190: ok 9905 # ring membership passed
190: ok 9906 # correct SSSR count
190: ok 9907 # ring membership passed
190: ok 9908 # correct SSSR count
190: ok 9909 # ring membership passed
190: ok 9910 # correct SSSR count
190: ok 9911 # ring membership passed
190: ok 9912 # correct SSSR count
190: ok 9913 # ring membership passed
190: ok 9914 # correct SSSR count
190: ok 9915 # ring membership passed
190: ok 9916 # correct SSSR count
190: ok 9917 # ring membership passed
190: ok 9918 # correct SSSR count
190: ok 9919 # ring membership passed
190: ok 9920 # correct SSSR count
190: ok 9921 # ring membership passed
190: ok 9922 # correct SSSR count
190: ok 9923 # ring membership passed
190: ok 9924 # correct SSSR count
190: ok 9925 # ring membership passed
190: ok 9926 # correct ring bond data
190: ok 9927 # correct ring bond data
190: ok 9928 # correct ring bond data
190: ok 9929 # correct ring bond data
190: ok 9930 # correct ring bond data
190: ok 9931 # correct ring bond data
190: ok 9932 # correct ring bond data
190: ok 9933 # correct ring bond data
190: ok 9934 # correct ring bond data
190: ok 9935 # correct ring bond data
190: ok 9936 # correct ring bond data
190: ok 9937 # correct ring bond data
190: ok 9938 # correct ring bond data
190: ok 9939 # correct ring bond data
190: ok 9940 # correct ring bond data
190: ok 9941 # correct ring bond data
190: ok 9942 # correct ring bond data
190: ok 9943 # correct ring bond data
190: ok 9944 # SSSR size matches reference
190: ok 9945 # correct SSSR count
190: ok 9946 # ring membership passed
190: ok 9947 # correct SSSR count
190: ok 9948 # ring membership passed
190: ok 9949 # correct SSSR count
190: ok 9950 # ring membership passed
190: ok 9951 # correct SSSR count
190: ok 9952 # ring membership passed
190: ok 9953 # correct SSSR count
190: ok 9954 # ring membership passed
190: ok 9955 # correct SSSR count
190: ok 9956 # ring membership passed
190: ok 9957 # correct SSSR count
190: ok 9958 # ring membership passed
190: ok 9959 # correct SSSR count
190: ok 9960 # ring membership passed
190: ok 9961 # correct SSSR count
190: ok 9962 # ring membership passed
190: ok 9963 # correct SSSR count
190: ok 9964 # ring membership passed
190: ok 9965 # correct SSSR count
190: ok 9966 # ring membership passed
190: ok 9967 # correct SSSR count
190: ok 9968 # ring membership passed
190: ok 9969 # correct SSSR count
190: ok 9970 # ring membership passed
190: ok 9971 # correct SSSR count
190: ok 9972 # ring membership passed
190: ok 9973 # correct SSSR count
190: ok 9974 # ring membership passed
190: ok 9975 # correct SSSR count
190: ok 9976 # ring membership passed
190: ok 9977 # correct SSSR count
190: ok 9978 # ring membership passed
190: ok 9979 # correct SSSR count
190: ok 9980 # ring membership passed
190: ok 9981 # correct ring bond data
190: ok 9982 # correct ring bond data
190: ok 9983 # correct ring bond data
190: ok 9984 # correct ring bond data
190: ok 9985 # correct ring bond data
190: ok 9986 # correct ring bond data
190: ok 9987 # correct ring bond data
190: ok 9988 # correct ring bond data
190: ok 9989 # correct ring bond data
190: ok 9990 # correct ring bond data
190: ok 9991 # correct ring bond data
190: ok 9992 # correct ring bond data
190: ok 9993 # correct ring bond data
190: ok 9994 # correct ring bond data
190: ok 9995 # correct ring bond data
190: ok 9996 # correct ring bond data
190: ok 9997 # correct ring bond data
190: ok 9998 # correct ring bond data
190: ok 9999 # SSSR size matches reference
190: ok 10000 # correct SSSR count
190: ok 10001 # ring membership passed
190: ok 10002 # correct SSSR count
190: ok 10003 # ring membership passed
190: ok 10004 # correct SSSR count
190: ok 10005 # ring membership passed
190: ok 10006 # correct SSSR count
190: ok 10007 # ring membership passed
190: ok 10008 # correct SSSR count
190: ok 10009 # ring membership passed
190: ok 10010 # correct SSSR count
190: ok 10011 # ring membership passed
190: ok 10012 # correct SSSR count
190: ok 10013 # ring membership passed
190: ok 10014 # correct SSSR count
190: ok 10015 # ring membership passed
190: ok 10016 # correct SSSR count
190: ok 10017 # ring membership passed
190: ok 10018 # correct SSSR count
190: ok 10019 # ring membership passed
190: ok 10020 # correct SSSR count
190: ok 10021 # ring membership passed
190: ok 10022 # correct SSSR count
190: ok 10023 # ring membership passed
190: ok 10024 # correct SSSR count
190: ok 10025 # ring membership passed
190: ok 10026 # correct SSSR count
190: ok 10027 # ring membership passed
190: ok 10028 # correct SSSR count
190: ok 10029 # ring membership passed
190: ok 10030 # correct SSSR count
190: ok 10031 # ring membership passed
190: ok 10032 # correct SSSR count
190: ok 10033 # ring membership passed
190: ok 10034 # correct SSSR count
190: ok 10035 # ring membership passed
190: ok 10036 # correct ring bond data
190: ok 10037 # correct ring bond data
190: ok 10038 # correct ring bond data
190: ok 10039 # correct ring bond data
190: ok 10040 # correct ring bond data
190: ok 10041 # correct ring bond data
190: ok 10042 # correct ring bond data
190: ok 10043 # correct ring bond data
190: ok 10044 # correct ring bond data
190: ok 10045 # correct ring bond data
190: ok 10046 # correct ring bond data
190: ok 10047 # correct ring bond data
190: ok 10048 # correct ring bond data
190: ok 10049 # correct ring bond data
190: ok 10050 # correct ring bond data
190: ok 10051 # correct ring bond data
190: ok 10052 # correct ring bond data
190: ok 10053 # correct ring bond data
190: ok 10054 # correct ring bond data
190: ok 10055 # correct ring bond data
190: ok 10056 # correct ring bond data
190: ok 10057 # correct ring bond data
190: ok 10058 # correct ring bond data
190: ok 10059 # correct ring bond data
190: ok 10060 # correct ring bond data
190: ok 10061 # correct ring bond data
190: ok 10062 # correct ring bond data
190: ok 10063 # correct ring bond data
190: ok 10064 # correct ring bond data
190: ok 10065 # correct ring bond data
190: ok 10066 # correct ring bond data
190: ok 10067 # SSSR size matches reference
190: ok 10068 # correct SSSR count
190: ok 10069 # ring membership passed
190: ok 10070 # correct SSSR count
190: ok 10071 # ring membership passed
190: ok 10072 # correct SSSR count
190: ok 10073 # ring membership passed
190: ok 10074 # correct SSSR count
190: ok 10075 # ring membership passed
190: ok 10076 # correct SSSR count
190: ok 10077 # ring membership passed
190: ok 10078 # correct SSSR count
190: ok 10079 # ring membership passed
190: ok 10080 # correct SSSR count
190: ok 10081 # ring membership passed
190: ok 10082 # correct SSSR count
190: ok 10083 # ring membership passed
190: ok 10084 # correct SSSR count
190: ok 10085 # ring membership passed
190: ok 10086 # correct SSSR count
190: ok 10087 # ring membership passed
190: ok 10088 # correct SSSR count
190: ok 10089 # ring membership passed
190: ok 10090 # correct SSSR count
190: ok 10091 # ring membership passed
190: ok 10092 # correct SSSR count
190: ok 10093 # ring membership passed
190: ok 10094 # correct SSSR count
190: ok 10095 # ring membership passed
190: ok 10096 # correct SSSR count
190: ok 10097 # ring membership passed
190: ok 10098 # correct SSSR count
190: ok 10099 # ring membership passed
190: ok 10100 # correct SSSR count
190: ok 10101 # ring membership passed
190: ok 10102 # correct SSSR count
190: ok 10103 # ring membership passed
190: ok 10104 # correct SSSR count
190: ok 10105 # ring membership passed
190: ok 10106 # correct SSSR count
190: ok 10107 # ring membership passed
190: ok 10108 # correct SSSR count
190: ok 10109 # ring membership passed
190: ok 10110 # correct SSSR count
190: ok 10111 # ring membership passed
190: ok 10112 # correct SSSR count
190: ok 10113 # ring membership passed
190: ok 10114 # correct SSSR count
190: ok 10115 # ring membership passed
190: ok 10116 # correct SSSR count
190: ok 10117 # ring membership passed
190: ok 10118 # correct SSSR count
190: ok 10119 # ring membership passed
190: ok 10120 # correct SSSR count
190: ok 10121 # ring membership passed
190: ok 10122 # correct SSSR count
190: ok 10123 # ring membership passed
190: ok 10124 # correct ring bond data
190: ok 10125 # correct ring bond data
190: ok 10126 # correct ring bond data
190: ok 10127 # correct ring bond data
190: ok 10128 # correct ring bond data
190: ok 10129 # correct ring bond data
190: ok 10130 # correct ring bond data
190: ok 10131 # correct ring bond data
190: ok 10132 # correct ring bond data
190: ok 10133 # correct ring bond data
190: ok 10134 # SSSR size matches reference
190: ok 10135 # correct SSSR count
190: ok 10136 # ring membership passed
190: ok 10137 # correct SSSR count
190: ok 10138 # ring membership passed
190: ok 10139 # correct SSSR count
190: ok 10140 # ring membership passed
190: ok 10141 # correct SSSR count
190: ok 10142 # ring membership passed
190: ok 10143 # correct SSSR count
190: ok 10144 # ring membership passed
190: ok 10145 # correct SSSR count
190: ok 10146 # ring membership passed
190: ok 10147 # correct SSSR count
190: ok 10148 # ring membership passed
190: ok 10149 # correct SSSR count
190: ok 10150 # ring membership passed
190: ok 10151 # correct SSSR count
190: ok 10152 # ring membership passed
190: ok 10153 # correct SSSR count
190: ok 10154 # ring membership passed
190: ok 10155 # correct ring bond data
190: ok 10156 # correct ring bond data
190: ok 10157 # correct ring bond data
190: ok 10158 # correct ring bond data
190: ok 10159 # correct ring bond data
190: ok 10160 # correct ring bond data
190: ok 10161 # correct ring bond data
190: ok 10162 # correct ring bond data
190: ok 10163 # correct ring bond data
190: ok 10164 # correct ring bond data
190: ok 10165 # correct ring bond data
190: ok 10166 # correct ring bond data
190: ok 10167 # correct ring bond data
190: ok 10168 # correct ring bond data
190: ok 10169 # correct ring bond data
190: ok 10170 # correct ring bond data
190: ok 10171 # correct ring bond data
190: ok 10172 # correct ring bond data
190: ok 10173 # correct ring bond data
190: ok 10174 # correct ring bond data
190: ok 10175 # SSSR size matches reference
190: ok 10176 # correct SSSR count
190: ok 10177 # ring membership passed
190: ok 10178 # correct SSSR count
190: ok 10179 # ring membership passed
190: ok 10180 # correct SSSR count
190: ok 10181 # ring membership passed
190: ok 10182 # correct SSSR count
190: ok 10183 # ring membership passed
190: ok 10184 # correct SSSR count
190: ok 10185 # ring membership passed
190: ok 10186 # correct SSSR count
190: ok 10187 # ring membership passed
190: ok 10188 # correct SSSR count
190: ok 10189 # ring membership passed
190: ok 10190 # correct SSSR count
190: ok 10191 # ring membership passed
190: ok 10192 # correct SSSR count
190: ok 10193 # ring membership passed
190: ok 10194 # correct SSSR count
190: ok 10195 # ring membership passed
190: ok 10196 # correct SSSR count
190: ok 10197 # ring membership passed
190: ok 10198 # correct SSSR count
190: ok 10199 # ring membership passed
190: ok 10200 # correct SSSR count
190: ok 10201 # ring membership passed
190: ok 10202 # correct SSSR count
190: ok 10203 # ring membership passed
190: ok 10204 # correct SSSR count
190: ok 10205 # ring membership passed
190: ok 10206 # correct SSSR count
190: ok 10207 # ring membership passed
190: ok 10208 # correct SSSR count
190: ok 10209 # ring membership passed
190: ok 10210 # correct SSSR count
190: ok 10211 # ring membership passed
190: ok 10212 # correct SSSR count
190: ok 10213 # ring membership passed
190: ok 10214 # correct SSSR count
190: ok 10215 # ring membership passed
190: ok 10216 # correct ring bond data
190: ok 10217 # correct ring bond data
190: ok 10218 # correct ring bond data
190: ok 10219 # correct ring bond data
190: ok 10220 # correct ring bond data
190: ok 10221 # correct ring bond data
190: ok 10222 # correct ring bond data
190: ok 10223 # correct ring bond data
190: ok 10224 # correct ring bond data
190: ok 10225 # correct ring bond data
190: ok 10226 # correct ring bond data
190: ok 10227 # correct ring bond data
190: ok 10228 # correct ring bond data
190: ok 10229 # correct ring bond data
190: ok 10230 # correct ring bond data
190: ok 10231 # correct ring bond data
190: ok 10232 # correct ring bond data
190: ok 10233 # correct ring bond data
190: ok 10234 # correct ring bond data
190: ok 10235 # correct ring bond data
190: ok 10236 # correct ring bond data
190: ok 10237 # correct ring bond data
190: ok 10238 # correct ring bond data
190: ok 10239 # correct ring bond data
190: ok 10240 # correct ring bond data
190: ok 10241 # correct ring bond data
190: ok 10242 # correct ring bond data
190: ok 10243 # correct ring bond data
190: ok 10244 # correct ring bond data
190: ok 10245 # SSSR size matches reference
190: ok 10246 # correct SSSR count
190: ok 10247 # ring membership passed
190: ok 10248 # correct SSSR count
190: ok 10249 # ring membership passed
190: ok 10250 # correct SSSR count
190: ok 10251 # ring membership passed
190: ok 10252 # correct SSSR count
190: ok 10253 # ring membership passed
190: ok 10254 # correct SSSR count
190: ok 10255 # ring membership passed
190: ok 10256 # correct SSSR count
190: ok 10257 # ring membership passed
190: ok 10258 # correct SSSR count
190: ok 10259 # ring membership passed
190: ok 10260 # correct SSSR count
190: ok 10261 # ring membership passed
190: ok 10262 # correct SSSR count
190: ok 10263 # ring membership passed
190: ok 10264 # correct SSSR count
190: ok 10265 # ring membership passed
190: ok 10266 # correct SSSR count
190: ok 10267 # ring membership passed
190: ok 10268 # correct SSSR count
190: ok 10269 # ring membership passed
190: ok 10270 # correct SSSR count
190: ok 10271 # ring membership passed
190: ok 10272 # correct SSSR count
190: ok 10273 # ring membership passed
190: ok 10274 # correct SSSR count
190: ok 10275 # ring membership passed
190: ok 10276 # correct SSSR count
190: ok 10277 # ring membership passed
190: ok 10278 # correct SSSR count
190: ok 10279 # ring membership passed
190: ok 10280 # correct SSSR count
190: ok 10281 # ring membership passed
190: ok 10282 # correct SSSR count
190: ok 10283 # ring membership passed
190: ok 10284 # correct SSSR count
190: ok 10285 # ring membership passed
190: ok 10286 # correct SSSR count
190: ok 10287 # ring membership passed
190: ok 10288 # correct SSSR count
190: ok 10289 # ring membership passed
190: ok 10290 # correct SSSR count
190: ok 10291 # ring membership passed
190: ok 10292 # correct SSSR count
190: ok 10293 # ring membership passed
190: ok 10294 # correct SSSR count
190: ok 10295 # ring membership passed
190: ok 10296 # correct SSSR count
190: ok 10297 # ring membership passed
190: ok 10298 # correct ring bond data
190: ok 10299 # correct ring bond data
190: ok 10300 # correct ring bond data
190: ok 10301 # correct ring bond data
190: ok 10302 # correct ring bond data
190: ok 10303 # correct ring bond data
190: ok 10304 # correct ring bond data
190: ok 10305 # correct ring bond data
190: ok 10306 # correct ring bond data
190: ok 10307 # correct ring bond data
190: ok 10308 # correct ring bond data
190: ok 10309 # correct ring bond data
190: ok 10310 # correct ring bond data
190: ok 10311 # correct ring bond data
190: ok 10312 # correct ring bond data
190: ok 10313 # correct ring bond data
190: ok 10314 # SSSR size matches reference
190: ok 10315 # correct SSSR count
190: ok 10316 # ring membership passed
190: ok 10317 # correct SSSR count
190: ok 10318 # ring membership passed
190: ok 10319 # correct SSSR count
190: ok 10320 # ring membership passed
190: ok 10321 # correct SSSR count
190: ok 10322 # ring membership passed
190: ok 10323 # correct SSSR count
190: ok 10324 # ring membership passed
190: ok 10325 # correct SSSR count
190: ok 10326 # ring membership passed
190: ok 10327 # correct SSSR count
190: ok 10328 # ring membership passed
190: ok 10329 # correct SSSR count
190: ok 10330 # ring membership passed
190: ok 10331 # correct SSSR count
190: ok 10332 # ring membership passed
190: ok 10333 # correct SSSR count
190: ok 10334 # ring membership passed
190: ok 10335 # correct SSSR count
190: ok 10336 # ring membership passed
190: ok 10337 # correct SSSR count
190: ok 10338 # ring membership passed
190: ok 10339 # correct SSSR count
190: ok 10340 # ring membership passed
190: ok 10341 # correct SSSR count
190: ok 10342 # ring membership passed
190: ok 10343 # correct SSSR count
190: ok 10344 # ring membership passed
190: ok 10345 # correct ring bond data
190: ok 10346 # correct ring bond data
190: ok 10347 # correct ring bond data
190: ok 10348 # correct ring bond data
190: ok 10349 # correct ring bond data
190: ok 10350 # correct ring bond data
190: ok 10351 # correct ring bond data
190: ok 10352 # correct ring bond data
190: ok 10353 # correct ring bond data
190: ok 10354 # correct ring bond data
190: ok 10355 # correct ring bond data
190: ok 10356 # correct ring bond data
190: ok 10357 # correct ring bond data
190: ok 10358 # correct ring bond data
190: ok 10359 # correct ring bond data
190: ok 10360 # correct ring bond data
190: ok 10361 # correct ring bond data
190: ok 10362 # correct ring bond data
190: ok 10363 # correct ring bond data
190: ok 10364 # correct ring bond data
190: ok 10365 # correct ring bond data
190: ok 10366 # SSSR size matches reference
190: ok 10367 # correct SSSR count
190: ok 10368 # ring membership passed
190: ok 10369 # correct SSSR count
190: ok 10370 # ring membership passed
190: ok 10371 # correct SSSR count
190: ok 10372 # ring membership passed
190: ok 10373 # correct SSSR count
190: ok 10374 # ring membership passed
190: ok 10375 # correct SSSR count
190: ok 10376 # ring membership passed
190: ok 10377 # correct SSSR count
190: ok 10378 # ring membership passed
190: ok 10379 # correct SSSR count
190: ok 10380 # ring membership passed
190: ok 10381 # correct SSSR count
190: ok 10382 # ring membership passed
190: ok 10383 # correct SSSR count
190: ok 10384 # ring membership passed
190: ok 10385 # correct SSSR count
190: ok 10386 # ring membership passed
190: ok 10387 # correct SSSR count
190: ok 10388 # ring membership passed
190: ok 10389 # correct SSSR count
190: ok 10390 # ring membership passed
190: ok 10391 # correct SSSR count
190: ok 10392 # ring membership passed
190: ok 10393 # correct SSSR count
190: ok 10394 # ring membership passed
190: ok 10395 # correct SSSR count
190: ok 10396 # ring membership passed
190: ok 10397 # correct SSSR count
190: ok 10398 # ring membership passed
190: ok 10399 # correct SSSR count
190: ok 10400 # ring membership passed
190: ok 10401 # correct SSSR count
190: ok 10402 # ring membership passed
190: ok 10403 # correct SSSR count
190: ok 10404 # ring membership passed
190: ok 10405 # correct SSSR count
190: ok 10406 # ring membership passed
190: ok 10407 # correct ring bond data
190: ok 10408 # correct ring bond data
190: ok 10409 # correct ring bond data
190: ok 10410 # correct ring bond data
190: ok 10411 # correct ring bond data
190: ok 10412 # correct ring bond data
190: ok 10413 # correct ring bond data
190: ok 10414 # correct ring bond data
190: ok 10415 # correct ring bond data
190: ok 10416 # correct ring bond data
190: ok 10417 # correct ring bond data
190: ok 10418 # correct ring bond data
190: ok 10419 # correct ring bond data
190: ok 10420 # correct ring bond data
190: ok 10421 # correct ring bond data
190: ok 10422 # correct ring bond data
190: ok 10423 # correct ring bond data
190: ok 10424 # correct ring bond data
190: ok 10425 # correct ring bond data
190: ok 10426 # correct ring bond data
190: ok 10427 # correct ring bond data
190: ok 10428 # correct ring bond data
190: ok 10429 # correct ring bond data
190: ok 10430 # correct ring bond data
190: ok 10431 # correct ring bond data
190: ok 10432 # correct ring bond data
190: ok 10433 # correct ring bond data
190: ok 10434 # correct ring bond data
190: ok 10435 # SSSR size matches reference
190: ok 10436 # correct SSSR count
190: ok 10437 # ring membership passed
190: ok 10438 # correct SSSR count
190: ok 10439 # ring membership passed
190: ok 10440 # correct SSSR count
190: ok 10441 # ring membership passed
190: ok 10442 # correct SSSR count
190: ok 10443 # ring membership passed
190: ok 10444 # correct SSSR count
190: ok 10445 # ring membership passed
190: ok 10446 # correct SSSR count
190: ok 10447 # ring membership passed
190: ok 10448 # correct SSSR count
190: ok 10449 # ring membership passed
190: ok 10450 # correct SSSR count
190: ok 10451 # ring membership passed
190: ok 10452 # correct SSSR count
190: ok 10453 # ring membership passed
190: ok 10454 # correct SSSR count
190: ok 10455 # ring membership passed
190: ok 10456 # correct SSSR count
190: ok 10457 # ring membership passed
190: ok 10458 # correct SSSR count
190: ok 10459 # ring membership passed
190: ok 10460 # correct SSSR count
190: ok 10461 # ring membership passed
190: ok 10462 # correct SSSR count
190: ok 10463 # ring membership passed
190: ok 10464 # correct SSSR count
190: ok 10465 # ring membership passed
190: ok 10466 # correct SSSR count
190: ok 10467 # ring membership passed
190: ok 10468 # correct SSSR count
190: ok 10469 # ring membership passed
190: ok 10470 # correct SSSR count
190: ok 10471 # ring membership passed
190: ok 10472 # correct SSSR count
190: ok 10473 # ring membership passed
190: ok 10474 # correct SSSR count
190: ok 10475 # ring membership passed
190: ok 10476 # correct SSSR count
190: ok 10477 # ring membership passed
190: ok 10478 # correct SSSR count
190: ok 10479 # ring membership passed
190: ok 10480 # correct SSSR count
190: ok 10481 # ring membership passed
190: ok 10482 # correct SSSR count
190: ok 10483 # ring membership passed
190: ok 10484 # correct SSSR count
190: ok 10485 # ring membership passed
190: ok 10486 # correct SSSR count
190: ok 10487 # ring membership passed
190: ok 10488 # correct SSSR count
190: ok 10489 # ring membership passed
190: ok 10490 # correct ring bond data
190: ok 10491 # correct ring bond data
190: ok 10492 # correct ring bond data
190: ok 10493 # correct ring bond data
190: ok 10494 # correct ring bond data
190: ok 10495 # correct ring bond data
190: ok 10496 # correct ring bond data
190: ok 10497 # correct ring bond data
190: ok 10498 # correct ring bond data
190: ok 10499 # correct ring bond data
190: ok 10500 # correct ring bond data
190: ok 10501 # correct ring bond data
190: ok 10502 # correct ring bond data
190: ok 10503 # correct ring bond data
190: ok 10504 # correct ring bond data
190: ok 10505 # correct ring bond data
190: ok 10506 # correct ring bond data
190: ok 10507 # correct ring bond data
190: ok 10508 # correct ring bond data
190: ok 10509 # SSSR size matches reference
190: ok 10510 # correct SSSR count
190: ok 10511 # ring membership passed
190: ok 10512 # correct SSSR count
190: ok 10513 # ring membership passed
190: ok 10514 # correct SSSR count
190: ok 10515 # ring membership passed
190: ok 10516 # correct SSSR count
190: ok 10517 # ring membership passed
190: ok 10518 # correct SSSR count
190: ok 10519 # ring membership passed
190: ok 10520 # correct SSSR count
190: ok 10521 # ring membership passed
190: ok 10522 # correct SSSR count
190: ok 10523 # ring membership passed
190: ok 10524 # correct SSSR count
190: ok 10525 # ring membership passed
190: ok 10526 # correct SSSR count
190: ok 10527 # ring membership passed
190: ok 10528 # correct SSSR count
190: ok 10529 # ring membership passed
190: ok 10530 # correct SSSR count
190: ok 10531 # ring membership passed
190: ok 10532 # correct SSSR count
190: ok 10533 # ring membership passed
190: ok 10534 # correct SSSR count
190: ok 10535 # ring membership passed
190: ok 10536 # correct SSSR count
190: ok 10537 # ring membership passed
190: ok 10538 # correct SSSR count
190: ok 10539 # ring membership passed
190: ok 10540 # correct SSSR count
190: ok 10541 # ring membership passed
190: ok 10542 # correct SSSR count
190: ok 10543 # ring membership passed
190: ok 10544 # correct SSSR count
190: ok 10545 # ring membership passed
190: ok 10546 # correct ring bond data
190: ok 10547 # correct ring bond data
190: ok 10548 # correct ring bond data
190: ok 10549 # correct ring bond data
190: ok 10550 # correct ring bond data
190: ok 10551 # correct ring bond data
190: ok 10552 # correct ring bond data
190: ok 10553 # correct ring bond data
190: ok 10554 # correct ring bond data
190: ok 10555 # correct ring bond data
190: ok 10556 # correct ring bond data
190: ok 10557 # correct ring bond data
190: ok 10558 # correct ring bond data
190: ok 10559 # correct ring bond data
190: ok 10560 # correct ring bond data
190: ok 10561 # correct ring bond data
190: ok 10562 # correct ring bond data
190: ok 10563 # correct ring bond data
190: ok 10564 # correct ring bond data
190: ok 10565 # correct ring bond data
190: ok 10566 # correct ring bond data
190: ok 10567 # correct ring bond data
190: ok 10568 # correct ring bond data
190: ok 10569 # correct ring bond data
190: ok 10570 # correct ring bond data
190: ok 10571 # SSSR size matches reference
190: ok 10572 # correct SSSR count
190: ok 10573 # ring membership passed
190: ok 10574 # correct SSSR count
190: ok 10575 # ring membership passed
190: ok 10576 # correct SSSR count
190: ok 10577 # ring membership passed
190: ok 10578 # correct SSSR count
190: ok 10579 # ring membership passed
190: ok 10580 # correct SSSR count
190: ok 10581 # ring membership passed
190: ok 10582 # correct SSSR count
190: ok 10583 # ring membership passed
190: ok 10584 # correct SSSR count
190: ok 10585 # ring membership passed
190: ok 10586 # correct SSSR count
190: ok 10587 # ring membership passed
190: ok 10588 # correct SSSR count
190: ok 10589 # ring membership passed
190: ok 10590 # correct SSSR count
190: ok 10591 # ring membership passed
190: ok 10592 # correct SSSR count
190: ok 10593 # ring membership passed
190: ok 10594 # correct SSSR count
190: ok 10595 # ring membership passed
190: ok 10596 # correct SSSR count
190: ok 10597 # ring membership passed
190: ok 10598 # correct SSSR count
190: ok 10599 # ring membership passed
190: ok 10600 # correct SSSR count
190: ok 10601 # ring membership passed
190: ok 10602 # correct SSSR count
190: ok 10603 # ring membership passed
190: ok 10604 # correct SSSR count
190: ok 10605 # ring membership passed
190: ok 10606 # correct SSSR count
190: ok 10607 # ring membership passed
190: ok 10608 # correct SSSR count
190: ok 10609 # ring membership passed
190: ok 10610 # correct SSSR count
190: ok 10611 # ring membership passed
190: ok 10612 # correct SSSR count
190: ok 10613 # ring membership passed
190: ok 10614 # correct SSSR count
190: ok 10615 # ring membership passed
190: ok 10616 # correct SSSR count
190: ok 10617 # ring membership passed
190: ok 10618 # correct ring bond data
190: ok 10619 # correct ring bond data
190: ok 10620 # correct ring bond data
190: ok 10621 # correct ring bond data
190: ok 10622 # correct ring bond data
190: ok 10623 # correct ring bond data
190: ok 10624 # correct ring bond data
190: ok 10625 # correct ring bond data
190: ok 10626 # correct ring bond data
190: ok 10627 # correct ring bond data
190: ok 10628 # correct ring bond data
190: ok 10629 # correct ring bond data
190: ok 10630 # correct ring bond data
190: ok 10631 # correct ring bond data
190: ok 10632 # correct ring bond data
190: ok 10633 # correct ring bond data
190: ok 10634 # correct ring bond data
190: ok 10635 # correct ring bond data
190: ok 10636 # correct ring bond data
190: ok 10637 # correct ring bond data
190: ok 10638 # correct ring bond data
190: ok 10639 # correct ring bond data
190: ok 10640 # correct ring bond data
190: ok 10641 # correct ring bond data
190: ok 10642 # SSSR size matches reference
190: ok 10643 # correct SSSR count
190: ok 10644 # ring membership passed
190: ok 10645 # correct SSSR count
190: ok 10646 # ring membership passed
190: ok 10647 # correct SSSR count
190: ok 10648 # ring membership passed
190: ok 10649 # correct SSSR count
190: ok 10650 # ring membership passed
190: ok 10651 # correct SSSR count
190: ok 10652 # ring membership passed
190: ok 10653 # correct SSSR count
190: ok 10654 # ring membership passed
190: ok 10655 # correct SSSR count
190: ok 10656 # ring membership passed
190: ok 10657 # correct SSSR count
190: ok 10658 # ring membership passed
190: ok 10659 # correct SSSR count
190: ok 10660 # ring membership passed
190: ok 10661 # correct SSSR count
190: ok 10662 # ring membership passed
190: ok 10663 # correct SSSR count
190: ok 10664 # ring membership passed
190: ok 10665 # correct SSSR count
190: ok 10666 # ring membership passed
190: ok 10667 # correct SSSR count
190: ok 10668 # ring membership passed
190: ok 10669 # correct SSSR count
190: ok 10670 # ring membership passed
190: ok 10671 # correct SSSR count
190: ok 10672 # ring membership passed
190: ok 10673 # correct SSSR count
190: ok 10674 # ring membership passed
190: ok 10675 # correct SSSR count
190: ok 10676 # ring membership passed
190: ok 10677 # correct SSSR count
190: ok 10678 # ring membership passed
190: ok 10679 # correct SSSR count
190: ok 10680 # ring membership passed
190: ok 10681 # correct SSSR count
190: ok 10682 # ring membership passed
190: ok 10683 # correct SSSR count
190: ok 10684 # ring membership passed
190: ok 10685 # correct SSSR count
190: ok 10686 # ring membership passed
190: ok 10687 # correct ring bond data
190: ok 10688 # correct ring bond data
190: ok 10689 # correct ring bond data
190: ok 10690 # correct ring bond data
190: ok 10691 # correct ring bond data
190: ok 10692 # correct ring bond data
190: ok 10693 # correct ring bond data
190: ok 10694 # correct ring bond data
190: ok 10695 # correct ring bond data
190: ok 10696 # correct ring bond data
190: ok 10697 # correct ring bond data
190: ok 10698 # correct ring bond data
190: ok 10699 # correct ring bond data
190: ok 10700 # correct ring bond data
190: ok 10701 # correct ring bond data
190: ok 10702 # correct ring bond data
190: ok 10703 # correct ring bond data
190: ok 10704 # correct ring bond data
190: ok 10705 # correct ring bond data
190: ok 10706 # SSSR size matches reference
190: ok 10707 # correct SSSR count
190: ok 10708 # ring membership passed
190: ok 10709 # correct SSSR count
190: ok 10710 # ring membership passed
190: ok 10711 # correct SSSR count
190: ok 10712 # ring membership passed
190: ok 10713 # correct SSSR count
190: ok 10714 # ring membership passed
190: ok 10715 # correct SSSR count
190: ok 10716 # ring membership passed
190: ok 10717 # correct SSSR count
190: ok 10718 # ring membership passed
190: ok 10719 # correct SSSR count
190: ok 10720 # ring membership passed
190: ok 10721 # correct SSSR count
190: ok 10722 # ring membership passed
190: ok 10723 # correct SSSR count
190: ok 10724 # ring membership passed
190: ok 10725 # correct SSSR count
190: ok 10726 # ring membership passed
190: ok 10727 # correct SSSR count
190: ok 10728 # ring membership passed
190: ok 10729 # correct SSSR count
190: ok 10730 # ring membership passed
190: ok 10731 # correct SSSR count
190: ok 10732 # ring membership passed
190: ok 10733 # correct SSSR count
190: ok 10734 # ring membership passed
190: ok 10735 # correct SSSR count
190: ok 10736 # ring membership passed
190: ok 10737 # correct SSSR count
190: ok 10738 # ring membership passed
190: ok 10739 # correct SSSR count
190: ok 10740 # ring membership passed
190: ok 10741 # correct SSSR count
190: ok 10742 # ring membership passed
190: ok 10743 # correct SSSR count
190: ok 10744 # ring membership passed
190: ok 10745 # correct ring bond data
190: ok 10746 # correct ring bond data
190: ok 10747 # correct ring bond data
190: ok 10748 # correct ring bond data
190: ok 10749 # correct ring bond data
190: ok 10750 # correct ring bond data
190: ok 10751 # correct ring bond data
190: ok 10752 # correct ring bond data
190: ok 10753 # correct ring bond data
190: ok 10754 # correct ring bond data
190: ok 10755 # correct ring bond data
190: ok 10756 # correct ring bond data
190: ok 10757 # correct ring bond data
190: ok 10758 # correct ring bond data
190: ok 10759 # correct ring bond data
190: ok 10760 # correct ring bond data
190: ok 10761 # SSSR size matches reference
190: ok 10762 # correct SSSR count
190: ok 10763 # ring membership passed
190: ok 10764 # correct SSSR count
190: ok 10765 # ring membership passed
190: ok 10766 # correct SSSR count
190: ok 10767 # ring membership passed
190: ok 10768 # correct SSSR count
190: ok 10769 # ring membership passed
190: ok 10770 # correct SSSR count
190: ok 10771 # ring membership passed
190: ok 10772 # correct SSSR count
190: ok 10773 # ring membership passed
190: ok 10774 # correct SSSR count
190: ok 10775 # ring membership passed
190: ok 10776 # correct SSSR count
190: ok 10777 # ring membership passed
190: ok 10778 # correct SSSR count
190: ok 10779 # ring membership passed
190: ok 10780 # correct SSSR count
190: ok 10781 # ring membership passed
190: ok 10782 # correct SSSR count
190: ok 10783 # ring membership passed
190: ok 10784 # correct SSSR count
190: ok 10785 # ring membership passed
190: ok 10786 # correct SSSR count
190: ok 10787 # ring membership passed
190: ok 10788 # correct SSSR count
190: ok 10789 # ring membership passed
190: ok 10790 # correct SSSR count
190: ok 10791 # ring membership passed
190: ok 10792 # correct ring bond data
190: ok 10793 # correct ring bond data
190: ok 10794 # correct ring bond data
190: ok 10795 # correct ring bond data
190: ok 10796 # correct ring bond data
190: ok 10797 # correct ring bond data
190: ok 10798 # correct ring bond data
190: ok 10799 # correct ring bond data
190: ok 10800 # correct ring bond data
190: ok 10801 # correct ring bond data
190: ok 10802 # correct ring bond data
190: ok 10803 # correct ring bond data
190: ok 10804 # correct ring bond data
190: ok 10805 # correct ring bond data
190: ok 10806 # correct ring bond data
190: ok 10807 # SSSR size matches reference
190: ok 10808 # correct SSSR count
190: ok 10809 # ring membership passed
190: ok 10810 # correct SSSR count
190: ok 10811 # ring membership passed
190: ok 10812 # correct SSSR count
190: ok 10813 # ring membership passed
190: ok 10814 # correct SSSR count
190: ok 10815 # ring membership passed
190: ok 10816 # correct SSSR count
190: ok 10817 # ring membership passed
190: ok 10818 # correct SSSR count
190: ok 10819 # ring membership passed
190: ok 10820 # correct SSSR count
190: ok 10821 # ring membership passed
190: ok 10822 # correct SSSR count
190: ok 10823 # ring membership passed
190: ok 10824 # correct SSSR count
190: ok 10825 # ring membership passed
190: ok 10826 # correct SSSR count
190: ok 10827 # ring membership passed
190: ok 10828 # correct SSSR count
190: ok 10829 # ring membership passed
190: ok 10830 # correct SSSR count
190: ok 10831 # ring membership passed
190: ok 10832 # correct SSSR count
190: ok 10833 # ring membership passed
190: ok 10834 # correct SSSR count
190: ok 10835 # ring membership passed
190: ok 10836 # correct ring bond data
190: ok 10837 # correct ring bond data
190: ok 10838 # correct ring bond data
190: ok 10839 # correct ring bond data
190: ok 10840 # correct ring bond data
190: ok 10841 # correct ring bond data
190: ok 10842 # correct ring bond data
190: ok 10843 # correct ring bond data
190: ok 10844 # correct ring bond data
190: ok 10845 # correct ring bond data
190: ok 10846 # correct ring bond data
190: ok 10847 # correct ring bond data
190: ok 10848 # correct ring bond data
190: ok 10849 # correct ring bond data
190: ok 10850 # correct ring bond data
190: ok 10851 # correct ring bond data
190: ok 10852 # SSSR size matches reference
190: ok 10853 # correct SSSR count
190: ok 10854 # ring membership passed
190: ok 10855 # correct SSSR count
190: ok 10856 # ring membership passed
190: ok 10857 # correct SSSR count
190: ok 10858 # ring membership passed
190: ok 10859 # correct SSSR count
190: ok 10860 # ring membership passed
190: ok 10861 # correct SSSR count
190: ok 10862 # ring membership passed
190: ok 10863 # correct SSSR count
190: ok 10864 # ring membership passed
190: ok 10865 # correct SSSR count
190: ok 10866 # ring membership passed
190: ok 10867 # correct SSSR count
190: ok 10868 # ring membership passed
190: ok 10869 # correct SSSR count
190: ok 10870 # ring membership passed
190: ok 10871 # correct SSSR count
190: ok 10872 # ring membership passed
190: ok 10873 # correct SSSR count
190: ok 10874 # ring membership passed
190: ok 10875 # correct SSSR count
190: ok 10876 # ring membership passed
190: ok 10877 # correct SSSR count
190: ok 10878 # ring membership passed
190: ok 10879 # correct SSSR count
190: ok 10880 # ring membership passed
190: ok 10881 # correct SSSR count
190: ok 10882 # ring membership passed
190: ok 10883 # correct ring bond data
190: ok 10884 # correct ring bond data
190: ok 10885 # correct ring bond data
190: ok 10886 # correct ring bond data
190: ok 10887 # correct ring bond data
190: ok 10888 # correct ring bond data
190: ok 10889 # correct ring bond data
190: ok 10890 # correct ring bond data
190: ok 10891 # correct ring bond data
190: ok 10892 # correct ring bond data
190: ok 10893 # correct ring bond data
190: ok 10894 # correct ring bond data
190: ok 10895 # correct ring bond data
190: ok 10896 # correct ring bond data
190: ok 10897 # correct ring bond data
190: ok 10898 # correct ring bond data
190: ok 10899 # correct ring bond data
190: ok 10900 # correct ring bond data
190: ok 10901 # SSSR size matches reference
190: ok 10902 # correct SSSR count
190: ok 10903 # ring membership passed
190: ok 10904 # correct SSSR count
190: ok 10905 # ring membership passed
190: ok 10906 # correct SSSR count
190: ok 10907 # ring membership passed
190: ok 10908 # correct SSSR count
190: ok 10909 # ring membership passed
190: ok 10910 # correct SSSR count
190: ok 10911 # ring membership passed
190: ok 10912 # correct SSSR count
190: ok 10913 # ring membership passed
190: ok 10914 # correct SSSR count
190: ok 10915 # ring membership passed
190: ok 10916 # correct SSSR count
190: ok 10917 # ring membership passed
190: ok 10918 # correct SSSR count
190: ok 10919 # ring membership passed
190: ok 10920 # correct SSSR count
190: ok 10921 # ring membership passed
190: ok 10922 # correct SSSR count
190: ok 10923 # ring membership passed
190: ok 10924 # correct SSSR count
190: ok 10925 # ring membership passed
190: ok 10926 # correct SSSR count
190: ok 10927 # ring membership passed
190: ok 10928 # correct SSSR count
190: ok 10929 # ring membership passed
190: ok 10930 # correct SSSR count
190: ok 10931 # ring membership passed
190: ok 10932 # correct SSSR count
190: ok 10933 # ring membership passed
190: ok 10934 # correct SSSR count
190: ok 10935 # ring membership passed
190: ok 10936 # correct ring bond data
190: ok 10937 # correct ring bond data
190: ok 10938 # correct ring bond data
190: ok 10939 # correct ring bond data
190: ok 10940 # correct ring bond data
190: ok 10941 # correct ring bond data
190: ok 10942 # correct ring bond data
190: ok 10943 # correct ring bond data
190: ok 10944 # correct ring bond data
190: ok 10945 # correct ring bond data
190: ok 10946 # correct ring bond data
190: ok 10947 # correct ring bond data
190: ok 10948 # correct ring bond data
190: ok 10949 # correct ring bond data
190: ok 10950 # correct ring bond data
190: ok 10951 # correct ring bond data
190: ok 10952 # correct ring bond data
190: ok 10953 # correct ring bond data
190: ok 10954 # correct ring bond data
190: ok 10955 # correct ring bond data
190: ok 10956 # correct ring bond data
190: ok 10957 # correct ring bond data
190: ok 10958 # correct ring bond data
190: ok 10959 # correct ring bond data
190: ok 10960 # correct ring bond data
190: ok 10961 # correct ring bond data
190: ok 10962 # correct ring bond data
190: ok 10963 # correct ring bond data
190: ok 10964 # correct ring bond data
190: ok 10965 # correct ring bond data
190: ok 10966 # correct ring bond data
190: ok 10967 # correct ring bond data
190: ok 10968 # correct ring bond data
190: ok 10969 # correct ring bond data
190: ok 10970 # correct ring bond data
190: ok 10971 # correct ring bond data
190: ok 10972 # correct ring bond data
190: ok 10973 # correct ring bond data
190: ok 10974 # SSSR size matches reference
190: ok 10975 # correct SSSR count
190: ok 10976 # ring membership passed
190: ok 10977 # correct SSSR count
190: ok 10978 # ring membership passed
190: ok 10979 # correct SSSR count
190: ok 10980 # ring membership passed
190: ok 10981 # correct SSSR count
190: ok 10982 # ring membership passed
190: ok 10983 # correct SSSR count
190: ok 10984 # ring membership passed
190: ok 10985 # correct SSSR count
190: ok 10986 # ring membership passed
190: ok 10987 # correct SSSR count
190: ok 10988 # ring membership passed
190: ok 10989 # correct SSSR count
190: ok 10990 # ring membership passed
190: ok 10991 # correct SSSR count
190: ok 10992 # ring membership passed
190: ok 10993 # correct SSSR count
190: ok 10994 # ring membership passed
190: ok 10995 # correct SSSR count
190: ok 10996 # ring membership passed
190: ok 10997 # correct SSSR count
190: ok 10998 # ring membership passed
190: ok 10999 # correct SSSR count
190: ok 11000 # ring membership passed
190: ok 11001 # correct SSSR count
190: ok 11002 # ring membership passed
190: ok 11003 # correct SSSR count
190: ok 11004 # ring membership passed
190: ok 11005 # correct SSSR count
190: ok 11006 # ring membership passed
190: ok 11007 # correct SSSR count
190: ok 11008 # ring membership passed
190: ok 11009 # correct SSSR count
190: ok 11010 # ring membership passed
190: ok 11011 # correct SSSR count
190: ok 11012 # ring membership passed
190: ok 11013 # correct SSSR count
190: ok 11014 # ring membership passed
190: ok 11015 # correct SSSR count
190: ok 11016 # ring membership passed
190: ok 11017 # correct SSSR count
190: ok 11018 # ring membership passed
190: ok 11019 # correct SSSR count
190: ok 11020 # ring membership passed
190: ok 11021 # correct SSSR count
190: ok 11022 # ring membership passed
190: ok 11023 # correct SSSR count
190: ok 11024 # ring membership passed
190: ok 11025 # correct SSSR count
190: ok 11026 # ring membership passed
190: ok 11027 # correct SSSR count
190: ok 11028 # ring membership passed
190: ok 11029 # correct SSSR count
190: ok 11030 # ring membership passed
190: ok 11031 # correct SSSR count
190: ok 11032 # ring membership passed
190: ok 11033 # correct SSSR count
190: ok 11034 # ring membership passed
190: ok 11035 # correct SSSR count
190: ok 11036 # ring membership passed
190: ok 11037 # correct SSSR count
190: ok 11038 # ring membership passed
190: ok 11039 # correct SSSR count
190: ok 11040 # ring membership passed
190: ok 11041 # correct SSSR count
190: ok 11042 # ring membership passed
190: ok 11043 # correct SSSR count
190: ok 11044 # ring membership passed
190: ok 11045 # correct SSSR count
190: ok 11046 # ring membership passed
190: ok 11047 # correct ring bond data
190: ok 11048 # correct ring bond data
190: ok 11049 # correct ring bond data
190: ok 11050 # correct ring bond data
190: ok 11051 # correct ring bond data
190: ok 11052 # correct ring bond data
190: ok 11053 # correct ring bond data
190: ok 11054 # correct ring bond data
190: ok 11055 # correct ring bond data
190: ok 11056 # correct ring bond data
190: ok 11057 # correct ring bond data
190: ok 11058 # correct ring bond data
190: ok 11059 # correct ring bond data
190: ok 11060 # correct ring bond data
190: ok 11061 # correct ring bond data
190: ok 11062 # SSSR size matches reference
190: ok 11063 # correct SSSR count
190: ok 11064 # ring membership passed
190: ok 11065 # correct SSSR count
190: ok 11066 # ring membership passed
190: ok 11067 # correct SSSR count
190: ok 11068 # ring membership passed
190: ok 11069 # correct SSSR count
190: ok 11070 # ring membership passed
190: ok 11071 # correct SSSR count
190: ok 11072 # ring membership passed
190: ok 11073 # correct SSSR count
190: ok 11074 # ring membership passed
190: ok 11075 # correct SSSR count
190: ok 11076 # ring membership passed
190: ok 11077 # correct SSSR count
190: ok 11078 # ring membership passed
190: ok 11079 # correct SSSR count
190: ok 11080 # ring membership passed
190: ok 11081 # correct SSSR count
190: ok 11082 # ring membership passed
190: ok 11083 # correct SSSR count
190: ok 11084 # ring membership passed
190: ok 11085 # correct SSSR count
190: ok 11086 # ring membership passed
190: ok 11087 # correct SSSR count
190: ok 11088 # ring membership passed
190: ok 11089 # correct SSSR count
190: ok 11090 # ring membership passed
190: ok 11091 # correct ring bond data
190: ok 11092 # correct ring bond data
190: ok 11093 # correct ring bond data
190: ok 11094 # correct ring bond data
190: ok 11095 # correct ring bond data
190: ok 11096 # correct ring bond data
190: ok 11097 # correct ring bond data
190: ok 11098 # correct ring bond data
190: ok 11099 # correct ring bond data
190: ok 11100 # correct ring bond data
190: ok 11101 # correct ring bond data
190: ok 11102 # correct ring bond data
190: ok 11103 # correct ring bond data
190: ok 11104 # correct ring bond data
190: ok 11105 # correct ring bond data
190: ok 11106 # correct ring bond data
190: ok 11107 # correct ring bond data
190: ok 11108 # correct ring bond data
190: ok 11109 # correct ring bond data
190: ok 11110 # correct ring bond data
190: ok 11111 # correct ring bond data
190: ok 11112 # correct ring bond data
190: ok 11113 # correct ring bond data
190: ok 11114 # correct ring bond data
190: ok 11115 # correct ring bond data
190: ok 11116 # SSSR size matches reference
190: ok 11117 # correct SSSR count
190: ok 11118 # ring membership passed
190: ok 11119 # correct SSSR count
190: ok 11120 # ring membership passed
190: ok 11121 # correct SSSR count
190: ok 11122 # ring membership passed
190: ok 11123 # correct SSSR count
190: ok 11124 # ring membership passed
190: ok 11125 # correct SSSR count
190: ok 11126 # ring membership passed
190: ok 11127 # correct SSSR count
190: ok 11128 # ring membership passed
190: ok 11129 # correct SSSR count
190: ok 11130 # ring membership passed
190: ok 11131 # correct SSSR count
190: ok 11132 # ring membership passed
190: ok 11133 # correct SSSR count
190: ok 11134 # ring membership passed
190: ok 11135 # correct SSSR count
190: ok 11136 # ring membership passed
190: ok 11137 # correct SSSR count
190: ok 11138 # ring membership passed
190: ok 11139 # correct SSSR count
190: ok 11140 # ring membership passed
190: ok 11141 # correct SSSR count
190: ok 11142 # ring membership passed
190: ok 11143 # correct SSSR count
190: ok 11144 # ring membership passed
190: ok 11145 # correct SSSR count
190: ok 11146 # ring membership passed
190: ok 11147 # correct SSSR count
190: ok 11148 # ring membership passed
190: ok 11149 # correct SSSR count
190: ok 11150 # ring membership passed
190: ok 11151 # correct SSSR count
190: ok 11152 # ring membership passed
190: ok 11153 # correct SSSR count
190: ok 11154 # ring membership passed
190: ok 11155 # correct SSSR count
190: ok 11156 # ring membership passed
190: ok 11157 # correct SSSR count
190: ok 11158 # ring membership passed
190: ok 11159 # correct SSSR count
190: ok 11160 # ring membership passed
190: ok 11161 # correct SSSR count
190: ok 11162 # ring membership passed
190: ok 11163 # correct ring bond data
190: ok 11164 # correct ring bond data
190: ok 11165 # correct ring bond data
190: ok 11166 # correct ring bond data
190: ok 11167 # correct ring bond data
190: ok 11168 # correct ring bond data
190: ok 11169 # correct ring bond data
190: ok 11170 # correct ring bond data
190: ok 11171 # correct ring bond data
190: ok 11172 # correct ring bond data
190: ok 11173 # correct ring bond data
190: ok 11174 # correct ring bond data
190: ok 11175 # correct ring bond data
190: ok 11176 # correct ring bond data
190: ok 11177 # correct ring bond data
190: ok 11178 # correct ring bond data
190: ok 11179 # correct ring bond data
190: ok 11180 # correct ring bond data
190: ok 11181 # correct ring bond data
190: ok 11182 # correct ring bond data
190: ok 11183 # SSSR size matches reference
190: ok 11184 # correct SSSR count
190: ok 11185 # ring membership passed
190: ok 11186 # correct SSSR count
190: ok 11187 # ring membership passed
190: ok 11188 # correct SSSR count
190: ok 11189 # ring membership passed
190: ok 11190 # correct SSSR count
190: ok 11191 # ring membership passed
190: ok 11192 # correct SSSR count
190: ok 11193 # ring membership passed
190: ok 11194 # correct SSSR count
190: ok 11195 # ring membership passed
190: ok 11196 # correct SSSR count
190: ok 11197 # ring membership passed
190: ok 11198 # correct SSSR count
190: ok 11199 # ring membership passed
190: ok 11200 # correct SSSR count
190: ok 11201 # ring membership passed
190: ok 11202 # correct SSSR count
190: ok 11203 # ring membership passed
190: ok 11204 # correct SSSR count
190: ok 11205 # ring membership passed
190: ok 11206 # correct SSSR count
190: ok 11207 # ring membership passed
190: ok 11208 # correct SSSR count
190: ok 11209 # ring membership passed
190: ok 11210 # correct SSSR count
190: ok 11211 # ring membership passed
190: ok 11212 # correct SSSR count
190: ok 11213 # ring membership passed
190: ok 11214 # correct SSSR count
190: ok 11215 # ring membership passed
190: ok 11216 # correct SSSR count
190: ok 11217 # ring membership passed
190: ok 11218 # correct SSSR count
190: ok 11219 # ring membership passed
190: ok 11220 # correct ring bond data
190: ok 11221 # correct ring bond data
190: ok 11222 # correct ring bond data
190: ok 11223 # correct ring bond data
190: ok 11224 # correct ring bond data
190: ok 11225 # correct ring bond data
190: ok 11226 # correct ring bond data
190: ok 11227 # correct ring bond data
190: ok 11228 # correct ring bond data
190: ok 11229 # correct ring bond data
190: ok 11230 # correct ring bond data
190: ok 11231 # correct ring bond data
190: ok 11232 # correct ring bond data
190: ok 11233 # correct ring bond data
190: ok 11234 # correct ring bond data
190: ok 11235 # correct ring bond data
190: ok 11236 # correct ring bond data
190: ok 11237 # correct ring bond data
190: ok 11238 # correct ring bond data
190: ok 11239 # correct ring bond data
190: ok 11240 # SSSR size matches reference
190: ok 11241 # correct SSSR count
190: ok 11242 # ring membership passed
190: ok 11243 # correct SSSR count
190: ok 11244 # ring membership passed
190: ok 11245 # correct SSSR count
190: ok 11246 # ring membership passed
190: ok 11247 # correct SSSR count
190: ok 11248 # ring membership passed
190: ok 11249 # correct SSSR count
190: ok 11250 # ring membership passed
190: ok 11251 # correct SSSR count
190: ok 11252 # ring membership passed
190: ok 11253 # correct SSSR count
190: ok 11254 # ring membership passed
190: ok 11255 # correct SSSR count
190: ok 11256 # ring membership passed
190: ok 11257 # correct SSSR count
190: ok 11258 # ring membership passed
190: ok 11259 # correct SSSR count
190: ok 11260 # ring membership passed
190: ok 11261 # correct SSSR count
190: ok 11262 # ring membership passed
190: ok 11263 # correct SSSR count
190: ok 11264 # ring membership passed
190: ok 11265 # correct SSSR count
190: ok 11266 # ring membership passed
190: ok 11267 # correct SSSR count
190: ok 11268 # ring membership passed
190: ok 11269 # correct SSSR count
190: ok 11270 # ring membership passed
190: ok 11271 # correct SSSR count
190: ok 11272 # ring membership passed
190: ok 11273 # correct SSSR count
190: ok 11274 # ring membership passed
190: ok 11275 # correct SSSR count
190: ok 11276 # ring membership passed
190: ok 11277 # correct ring bond data
190: ok 11278 # correct ring bond data
190: ok 11279 # correct ring bond data
190: ok 11280 # correct ring bond data
190: ok 11281 # correct ring bond data
190: ok 11282 # correct ring bond data
190: ok 11283 # correct ring bond data
190: ok 11284 # correct ring bond data
190: ok 11285 # correct ring bond data
190: ok 11286 # correct ring bond data
190: ok 11287 # correct ring bond data
190: ok 11288 # correct ring bond data
190: ok 11289 # correct ring bond data
190: ok 11290 # correct ring bond data
190: ok 11291 # correct ring bond data
190: ok 11292 # correct ring bond data
190: ok 11293 # correct ring bond data
190: ok 11294 # SSSR size matches reference
190: ok 11295 # correct SSSR count
190: ok 11296 # ring membership passed
190: ok 11297 # correct SSSR count
190: ok 11298 # ring membership passed
190: ok 11299 # correct SSSR count
190: ok 11300 # ring membership passed
190: ok 11301 # correct SSSR count
190: ok 11302 # ring membership passed
190: ok 11303 # correct SSSR count
190: ok 11304 # ring membership passed
190: ok 11305 # correct SSSR count
190: ok 11306 # ring membership passed
190: ok 11307 # correct SSSR count
190: ok 11308 # ring membership passed
190: ok 11309 # correct SSSR count
190: ok 11310 # ring membership passed
190: ok 11311 # correct SSSR count
190: ok 11312 # ring membership passed
190: ok 11313 # correct SSSR count
190: ok 11314 # ring membership passed
190: ok 11315 # correct SSSR count
190: ok 11316 # ring membership passed
190: ok 11317 # correct SSSR count
190: ok 11318 # ring membership passed
190: ok 11319 # correct SSSR count
190: ok 11320 # ring membership passed
190: ok 11321 # correct SSSR count
190: ok 11322 # ring membership passed
190: ok 11323 # correct SSSR count
190: ok 11324 # ring membership passed
190: ok 11325 # correct SSSR count
190: ok 11326 # ring membership passed
190: ok 11327 # correct SSSR count
190: ok 11328 # ring membership passed
190: ok 11329 # correct ring bond data
190: ok 11330 # correct ring bond data
190: ok 11331 # correct ring bond data
190: ok 11332 # correct ring bond data
190: ok 11333 # correct ring bond data
190: ok 11334 # correct ring bond data
190: ok 11335 # correct ring bond data
190: ok 11336 # correct ring bond data
190: ok 11337 # correct ring bond data
190: ok 11338 # correct ring bond data
190: ok 11339 # correct ring bond data
190: ok 11340 # correct ring bond data
190: ok 11341 # correct ring bond data
190: ok 11342 # correct ring bond data
190: ok 11343 # correct ring bond data
190: ok 11344 # correct ring bond data
190: ok 11345 # correct ring bond data
190: ok 11346 # correct ring bond data
190: ok 11347 # correct ring bond data
190: ok 11348 # correct ring bond data
190: ok 11349 # correct ring bond data
190: ok 11350 # correct ring bond data
190: ok 11351 # correct ring bond data
190: ok 11352 # correct ring bond data
190: ok 11353 # correct ring bond data
190: ok 11354 # correct ring bond data
190: ok 11355 # correct ring bond data
190: ok 11356 # correct ring bond data
190: ok 11357 # correct ring bond data
190: ok 11358 # correct ring bond data
190: ok 11359 # correct ring bond data
190: ok 11360 # SSSR size matches reference
190: ok 11361 # correct SSSR count
190: ok 11362 # ring membership passed
190: ok 11363 # correct SSSR count
190: ok 11364 # ring membership passed
190: ok 11365 # correct SSSR count
190: ok 11366 # ring membership passed
190: ok 11367 # correct SSSR count
190: ok 11368 # ring membership passed
190: ok 11369 # correct SSSR count
190: ok 11370 # ring membership passed
190: ok 11371 # correct SSSR count
190: ok 11372 # ring membership passed
190: ok 11373 # correct SSSR count
190: ok 11374 # ring membership passed
190: ok 11375 # correct SSSR count
190: ok 11376 # ring membership passed
190: ok 11377 # correct SSSR count
190: ok 11378 # ring membership passed
190: ok 11379 # correct SSSR count
190: ok 11380 # ring membership passed
190: ok 11381 # correct SSSR count
190: ok 11382 # ring membership passed
190: ok 11383 # correct SSSR count
190: ok 11384 # ring membership passed
190: ok 11385 # correct SSSR count
190: ok 11386 # ring membership passed
190: ok 11387 # correct SSSR count
190: ok 11388 # ring membership passed
190: ok 11389 # correct SSSR count
190: ok 11390 # ring membership passed
190: ok 11391 # correct SSSR count
190: ok 11392 # ring membership passed
190: ok 11393 # correct SSSR count
190: ok 11394 # ring membership passed
190: ok 11395 # correct SSSR count
190: ok 11396 # ring membership passed
190: ok 11397 # correct SSSR count
190: ok 11398 # ring membership passed
190: ok 11399 # correct SSSR count
190: ok 11400 # ring membership passed
190: ok 11401 # correct SSSR count
190: ok 11402 # ring membership passed
190: ok 11403 # correct SSSR count
190: ok 11404 # ring membership passed
190: ok 11405 # correct SSSR count
190: ok 11406 # ring membership passed
190: ok 11407 # correct SSSR count
190: ok 11408 # ring membership passed
190: ok 11409 # correct SSSR count
190: ok 11410 # ring membership passed
190: ok 11411 # correct SSSR count
190: ok 11412 # ring membership passed
190: ok 11413 # correct SSSR count
190: ok 11414 # ring membership passed
190: ok 11415 # correct SSSR count
190: ok 11416 # ring membership passed
190: ok 11417 # correct SSSR count
190: ok 11418 # ring membership passed
190: ok 11419 # correct ring bond data
190: ok 11420 # correct ring bond data
190: ok 11421 # correct ring bond data
190: ok 11422 # correct ring bond data
190: ok 11423 # correct ring bond data
190: ok 11424 # correct ring bond data
190: ok 11425 # correct ring bond data
190: ok 11426 # correct ring bond data
190: ok 11427 # correct ring bond data
190: ok 11428 # correct ring bond data
190: ok 11429 # correct ring bond data
190: ok 11430 # correct ring bond data
190: ok 11431 # correct ring bond data
190: ok 11432 # correct ring bond data
190: ok 11433 # correct ring bond data
190: ok 11434 # correct ring bond data
190: ok 11435 # correct ring bond data
190: ok 11436 # correct ring bond data
190: ok 11437 # correct ring bond data
190: ok 11438 # SSSR size matches reference
190: ok 11439 # correct SSSR count
190: ok 11440 # ring membership passed
190: ok 11441 # correct SSSR count
190: ok 11442 # ring membership passed
190: ok 11443 # correct SSSR count
190: ok 11444 # ring membership passed
190: ok 11445 # correct SSSR count
190: ok 11446 # ring membership passed
190: ok 11447 # correct SSSR count
190: ok 11448 # ring membership passed
190: ok 11449 # correct SSSR count
190: ok 11450 # ring membership passed
190: ok 11451 # correct SSSR count
190: ok 11452 # ring membership passed
190: ok 11453 # correct SSSR count
190: ok 11454 # ring membership passed
190: ok 11455 # correct SSSR count
190: ok 11456 # ring membership passed
190: ok 11457 # correct SSSR count
190: ok 11458 # ring membership passed
190: ok 11459 # correct SSSR count
190: ok 11460 # ring membership passed
190: ok 11461 # correct SSSR count
190: ok 11462 # ring membership passed
190: ok 11463 # correct SSSR count
190: ok 11464 # ring membership passed
190: ok 11465 # correct SSSR count
190: ok 11466 # ring membership passed
190: ok 11467 # correct SSSR count
190: ok 11468 # ring membership passed
190: ok 11469 # correct SSSR count
190: ok 11470 # ring membership passed
190: ok 11471 # correct SSSR count
190: ok 11472 # ring membership passed
190: ok 11473 # correct SSSR count
190: ok 11474 # ring membership passed
190: ok 11475 # correct ring bond data
190: ok 11476 # correct ring bond data
190: ok 11477 # correct ring bond data
190: ok 11478 # correct ring bond data
190: ok 11479 # correct ring bond data
190: ok 11480 # correct ring bond data
190: ok 11481 # correct ring bond data
190: ok 11482 # correct ring bond data
190: ok 11483 # correct ring bond data
190: ok 11484 # correct ring bond data
190: ok 11485 # correct ring bond data
190: ok 11486 # correct ring bond data
190: ok 11487 # correct ring bond data
190: ok 11488 # correct ring bond data
190: ok 11489 # correct ring bond data
190: ok 11490 # correct ring bond data
190: ok 11491 # correct ring bond data
190: ok 11492 # correct ring bond data
190: ok 11493 # correct ring bond data
190: ok 11494 # correct ring bond data
190: ok 11495 # SSSR size matches reference
190: ok 11496 # correct SSSR count
190: ok 11497 # ring membership passed
190: ok 11498 # correct SSSR count
190: ok 11499 # ring membership passed
190: ok 11500 # correct SSSR count
190: ok 11501 # ring membership passed
190: ok 11502 # correct SSSR count
190: ok 11503 # ring membership passed
190: ok 11504 # correct SSSR count
190: ok 11505 # ring membership passed
190: ok 11506 # correct SSSR count
190: ok 11507 # ring membership passed
190: ok 11508 # correct SSSR count
190: ok 11509 # ring membership passed
190: ok 11510 # correct SSSR count
190: ok 11511 # ring membership passed
190: ok 11512 # correct SSSR count
190: ok 11513 # ring membership passed
190: ok 11514 # correct SSSR count
190: ok 11515 # ring membership passed
190: ok 11516 # correct SSSR count
190: ok 11517 # ring membership passed
190: ok 11518 # correct SSSR count
190: ok 11519 # ring membership passed
190: ok 11520 # correct SSSR count
190: ok 11521 # ring membership passed
190: ok 11522 # correct SSSR count
190: ok 11523 # ring membership passed
190: ok 11524 # correct SSSR count
190: ok 11525 # ring membership passed
190: ok 11526 # correct SSSR count
190: ok 11527 # ring membership passed
190: ok 11528 # correct SSSR count
190: ok 11529 # ring membership passed
190: ok 11530 # correct SSSR count
190: ok 11531 # ring membership passed
190: ok 11532 # correct SSSR count
190: ok 11533 # ring membership passed
190: ok 11534 # correct ring bond data
190: ok 11535 # correct ring bond data
190: ok 11536 # correct ring bond data
190: ok 11537 # correct ring bond data
190: ok 11538 # correct ring bond data
190: ok 11539 # correct ring bond data
190: ok 11540 # correct ring bond data
190: ok 11541 # correct ring bond data
190: ok 11542 # correct ring bond data
190: ok 11543 # correct ring bond data
190: ok 11544 # correct ring bond data
190: ok 11545 # correct ring bond data
190: ok 11546 # correct ring bond data
190: ok 11547 # correct ring bond data
190: ok 11548 # correct ring bond data
190: ok 11549 # correct ring bond data
190: ok 11550 # correct ring bond data
190: ok 11551 # correct ring bond data
190: ok 11552 # correct ring bond data
190: ok 11553 # correct ring bond data
190: ok 11554 # correct ring bond data
190: ok 11555 # SSSR size matches reference
190: ok 11556 # correct SSSR count
190: ok 11557 # ring membership passed
190: ok 11558 # correct SSSR count
190: ok 11559 # ring membership passed
190: ok 11560 # correct SSSR count
190: ok 11561 # ring membership passed
190: ok 11562 # correct SSSR count
190: ok 11563 # ring membership passed
190: ok 11564 # correct SSSR count
190: ok 11565 # ring membership passed
190: ok 11566 # correct SSSR count
190: ok 11567 # ring membership passed
190: ok 11568 # correct SSSR count
190: ok 11569 # ring membership passed
190: ok 11570 # correct SSSR count
190: ok 11571 # ring membership passed
190: ok 11572 # correct SSSR count
190: ok 11573 # ring membership passed
190: ok 11574 # correct SSSR count
190: ok 11575 # ring membership passed
190: ok 11576 # correct SSSR count
190: ok 11577 # ring membership passed
190: ok 11578 # correct SSSR count
190: ok 11579 # ring membership passed
190: ok 11580 # correct SSSR count
190: ok 11581 # ring membership passed
190: ok 11582 # correct SSSR count
190: ok 11583 # ring membership passed
190: ok 11584 # correct SSSR count
190: ok 11585 # ring membership passed
190: ok 11586 # correct SSSR count
190: ok 11587 # ring membership passed
190: ok 11588 # correct SSSR count
190: ok 11589 # ring membership passed
190: ok 11590 # correct SSSR count
190: ok 11591 # ring membership passed
190: ok 11592 # correct SSSR count
190: ok 11593 # ring membership passed
190: ok 11594 # correct SSSR count
190: ok 11595 # ring membership passed
190: ok 11596 # correct ring bond data
190: ok 11597 # correct ring bond data
190: ok 11598 # correct ring bond data
190: ok 11599 # correct ring bond data
190: ok 11600 # correct ring bond data
190: ok 11601 # correct ring bond data
190: ok 11602 # correct ring bond data
190: ok 11603 # correct ring bond data
190: ok 11604 # correct ring bond data
190: ok 11605 # correct ring bond data
190: ok 11606 # correct ring bond data
190: ok 11607 # correct ring bond data
190: ok 11608 # SSSR size matches reference
190: ok 11609 # correct SSSR count
190: ok 11610 # ring membership passed
190: ok 11611 # correct SSSR count
190: ok 11612 # ring membership passed
190: ok 11613 # correct SSSR count
190: ok 11614 # ring membership passed
190: ok 11615 # correct SSSR count
190: ok 11616 # ring membership passed
190: ok 11617 # correct SSSR count
190: ok 11618 # ring membership passed
190: ok 11619 # correct SSSR count
190: ok 11620 # ring membership passed
190: ok 11621 # correct SSSR count
190: ok 11622 # ring membership passed
190: ok 11623 # correct SSSR count
190: ok 11624 # ring membership passed
190: ok 11625 # correct SSSR count
190: ok 11626 # ring membership passed
190: ok 11627 # correct SSSR count
190: ok 11628 # ring membership passed
190: ok 11629 # correct SSSR count
190: ok 11630 # ring membership passed
190: ok 11631 # correct ring bond data
190: ok 11632 # correct ring bond data
190: ok 11633 # correct ring bond data
190: ok 11634 # correct ring bond data
190: ok 11635 # correct ring bond data
190: ok 11636 # correct ring bond data
190: ok 11637 # correct ring bond data
190: ok 11638 # correct ring bond data
190: ok 11639 # correct ring bond data
190: ok 11640 # correct ring bond data
190: ok 11641 # correct ring bond data
190: ok 11642 # correct ring bond data
190: ok 11643 # correct ring bond data
190: ok 11644 # correct ring bond data
190: ok 11645 # correct ring bond data
190: ok 11646 # correct ring bond data
190: ok 11647 # correct ring bond data
190: ok 11648 # correct ring bond data
190: ok 11649 # correct ring bond data
190: ok 11650 # correct ring bond data
190: ok 11651 # SSSR size matches reference
190: ok 11652 # correct SSSR count
190: ok 11653 # ring membership passed
190: ok 11654 # correct SSSR count
190: ok 11655 # ring membership passed
190: ok 11656 # correct SSSR count
190: ok 11657 # ring membership passed
190: ok 11658 # correct SSSR count
190: ok 11659 # ring membership passed
190: ok 11660 # correct SSSR count
190: ok 11661 # ring membership passed
190: ok 11662 # correct SSSR count
190: ok 11663 # ring membership passed
190: ok 11664 # correct SSSR count
190: ok 11665 # ring membership passed
190: ok 11666 # correct SSSR count
190: ok 11667 # ring membership passed
190: ok 11668 # correct SSSR count
190: ok 11669 # ring membership passed
190: ok 11670 # correct SSSR count
190: ok 11671 # ring membership passed
190: ok 11672 # correct SSSR count
190: ok 11673 # ring membership passed
190: ok 11674 # correct SSSR count
190: ok 11675 # ring membership passed
190: ok 11676 # correct SSSR count
190: ok 11677 # ring membership passed
190: ok 11678 # correct SSSR count
190: ok 11679 # ring membership passed
190: ok 11680 # correct SSSR count
190: ok 11681 # ring membership passed
190: ok 11682 # correct SSSR count
190: ok 11683 # ring membership passed
190: ok 11684 # correct SSSR count
190: ok 11685 # ring membership passed
190: ok 11686 # correct SSSR count
190: ok 11687 # ring membership passed
190: ok 11688 # correct SSSR count
190: ok 11689 # ring membership passed
190: ok 11690 # correct ring bond data
190: ok 11691 # correct ring bond data
190: ok 11692 # correct ring bond data
190: ok 11693 # correct ring bond data
190: ok 11694 # correct ring bond data
190: ok 11695 # correct ring bond data
190: ok 11696 # correct ring bond data
190: ok 11697 # correct ring bond data
190: ok 11698 # correct ring bond data
190: ok 11699 # correct ring bond data
190: ok 11700 # correct ring bond data
190: ok 11701 # correct ring bond data
190: ok 11702 # correct ring bond data
190: ok 11703 # SSSR size matches reference
190: ok 11704 # correct SSSR count
190: ok 11705 # ring membership passed
190: ok 11706 # correct SSSR count
190: ok 11707 # ring membership passed
190: ok 11708 # correct SSSR count
190: ok 11709 # ring membership passed
190: ok 11710 # correct SSSR count
190: ok 11711 # ring membership passed
190: ok 11712 # correct SSSR count
190: ok 11713 # ring membership passed
190: ok 11714 # correct SSSR count
190: ok 11715 # ring membership passed
190: ok 11716 # correct SSSR count
190: ok 11717 # ring membership passed
190: ok 11718 # correct SSSR count
190: ok 11719 # ring membership passed
190: ok 11720 # correct SSSR count
190: ok 11721 # ring membership passed
190: ok 11722 # correct SSSR count
190: ok 11723 # ring membership passed
190: ok 11724 # correct SSSR count
190: ok 11725 # ring membership passed
190: ok 11726 # correct SSSR count
190: ok 11727 # ring membership passed
190: ok 11728 # correct ring bond data
190: ok 11729 # correct ring bond data
190: ok 11730 # correct ring bond data
190: ok 11731 # correct ring bond data
190: ok 11732 # correct ring bond data
190: ok 11733 # correct ring bond data
190: ok 11734 # correct ring bond data
190: ok 11735 # correct ring bond data
190: ok 11736 # correct ring bond data
190: ok 11737 # correct ring bond data
190: ok 11738 # correct ring bond data
190: ok 11739 # correct ring bond data
190: ok 11740 # correct ring bond data
190: ok 11741 # correct ring bond data
190: ok 11742 # correct ring bond data
190: ok 11743 # correct ring bond data
190: ok 11744 # correct ring bond data
190: ok 11745 # correct ring bond data
190: ok 11746 # correct ring bond data
190: ok 11747 # correct ring bond data
190: ok 11748 # correct ring bond data
190: ok 11749 # correct ring bond data
190: ok 11750 # correct ring bond data
190: ok 11751 # correct ring bond data
190: ok 11752 # correct ring bond data
190: ok 11753 # correct ring bond data
190: ok 11754 # correct ring bond data
190: ok 11755 # correct ring bond data
190: ok 11756 # correct ring bond data
190: ok 11757 # SSSR size matches reference
190: ok 11758 # correct SSSR count
190: ok 11759 # ring membership passed
190: ok 11760 # correct SSSR count
190: ok 11761 # ring membership passed
190: ok 11762 # correct SSSR count
190: ok 11763 # ring membership passed
190: ok 11764 # correct SSSR count
190: ok 11765 # ring membership passed
190: ok 11766 # correct SSSR count
190: ok 11767 # ring membership passed
190: ok 11768 # correct SSSR count
190: ok 11769 # ring membership passed
190: ok 11770 # correct SSSR count
190: ok 11771 # ring membership passed
190: ok 11772 # correct SSSR count
190: ok 11773 # ring membership passed
190: ok 11774 # correct SSSR count
190: ok 11775 # ring membership passed
190: ok 11776 # correct SSSR count
190: ok 11777 # ring membership passed
190: ok 11778 # correct SSSR count
190: ok 11779 # ring membership passed
190: ok 11780 # correct SSSR count
190: ok 11781 # ring membership passed
190: ok 11782 # correct SSSR count
190: ok 11783 # ring membership passed
190: ok 11784 # correct SSSR count
190: ok 11785 # ring membership passed
190: ok 11786 # correct SSSR count
190: ok 11787 # ring membership passed
190: ok 11788 # correct SSSR count
190: ok 11789 # ring membership passed
190: ok 11790 # correct SSSR count
190: ok 11791 # ring membership passed
190: ok 11792 # correct SSSR count
190: ok 11793 # ring membership passed
190: ok 11794 # correct SSSR count
190: ok 11795 # ring membership passed
190: ok 11796 # correct SSSR count
190: ok 11797 # ring membership passed
190: ok 11798 # correct SSSR count
190: ok 11799 # ring membership passed
190: ok 11800 # correct SSSR count
190: ok 11801 # ring membership passed
190: ok 11802 # correct SSSR count
190: ok 11803 # ring membership passed
190: ok 11804 # correct SSSR count
190: ok 11805 # ring membership passed
190: ok 11806 # correct SSSR count
190: ok 11807 # ring membership passed
190: ok 11808 # correct SSSR count
190: ok 11809 # ring membership passed
190: ok 11810 # correct ring bond data
190: ok 11811 # correct ring bond data
190: ok 11812 # correct ring bond data
190: ok 11813 # correct ring bond data
190: ok 11814 # correct ring bond data
190: ok 11815 # correct ring bond data
190: ok 11816 # correct ring bond data
190: ok 11817 # correct ring bond data
190: ok 11818 # correct ring bond data
190: ok 11819 # correct ring bond data
190: ok 11820 # correct ring bond data
190: ok 11821 # correct ring bond data
190: ok 11822 # correct ring bond data
190: ok 11823 # correct ring bond data
190: ok 11824 # correct ring bond data
190: ok 11825 # correct ring bond data
190: ok 11826 # correct ring bond data
190: ok 11827 # correct ring bond data
190: ok 11828 # correct ring bond data
190: ok 11829 # correct ring bond data
190: ok 11830 # correct ring bond data
190: ok 11831 # correct ring bond data
190: ok 11832 # correct ring bond data
190: ok 11833 # correct ring bond data
190: ok 11834 # correct ring bond data
190: ok 11835 # correct ring bond data
190: ok 11836 # correct ring bond data
190: ok 11837 # correct ring bond data
190: ok 11838 # correct ring bond data
190: ok 11839 # correct ring bond data
190: ok 11840 # correct ring bond data
190: ok 11841 # SSSR size matches reference
190: ok 11842 # correct SSSR count
190: ok 11843 # ring membership passed
190: ok 11844 # correct SSSR count
190: ok 11845 # ring membership passed
190: ok 11846 # correct SSSR count
190: ok 11847 # ring membership passed
190: ok 11848 # correct SSSR count
190: ok 11849 # ring membership passed
190: ok 11850 # correct SSSR count
190: ok 11851 # ring membership passed
190: ok 11852 # correct SSSR count
190: ok 11853 # ring membership passed
190: ok 11854 # correct SSSR count
190: ok 11855 # ring membership passed
190: ok 11856 # correct SSSR count
190: ok 11857 # ring membership passed
190: ok 11858 # correct SSSR count
190: ok 11859 # ring membership passed
190: ok 11860 # correct SSSR count
190: ok 11861 # ring membership passed
190: ok 11862 # correct SSSR count
190: ok 11863 # ring membership passed
190: ok 11864 # correct SSSR count
190: ok 11865 # ring membership passed
190: ok 11866 # correct SSSR count
190: ok 11867 # ring membership passed
190: ok 11868 # correct SSSR count
190: ok 11869 # ring membership passed
190: ok 11870 # correct SSSR count
190: ok 11871 # ring membership passed
190: ok 11872 # correct SSSR count
190: ok 11873 # ring membership passed
190: ok 11874 # correct SSSR count
190: ok 11875 # ring membership passed
190: ok 11876 # correct SSSR count
190: ok 11877 # ring membership passed
190: ok 11878 # correct SSSR count
190: ok 11879 # ring membership passed
190: ok 11880 # correct SSSR count
190: ok 11881 # ring membership passed
190: ok 11882 # correct SSSR count
190: ok 11883 # ring membership passed
190: ok 11884 # correct SSSR count
190: ok 11885 # ring membership passed
190: ok 11886 # correct SSSR count
190: ok 11887 # ring membership passed
190: ok 11888 # correct SSSR count
190: ok 11889 # ring membership passed
190: ok 11890 # correct SSSR count
190: ok 11891 # ring membership passed
190: ok 11892 # correct SSSR count
190: ok 11893 # ring membership passed
190: ok 11894 # correct SSSR count
190: ok 11895 # ring membership passed
190: ok 11896 # correct SSSR count
190: ok 11897 # ring membership passed
190: ok 11898 # correct SSSR count
190: ok 11899 # ring membership passed
190: ok 11900 # correct ring bond data
190: ok 11901 # correct ring bond data
190: ok 11902 # correct ring bond data
190: ok 11903 # correct ring bond data
190: ok 11904 # correct ring bond data
190: ok 11905 # correct ring bond data
190: ok 11906 # correct ring bond data
190: ok 11907 # correct ring bond data
190: ok 11908 # correct ring bond data
190: ok 11909 # correct ring bond data
190: ok 11910 # correct ring bond data
190: ok 11911 # correct ring bond data
190: ok 11912 # correct ring bond data
190: ok 11913 # correct ring bond data
190: ok 11914 # correct ring bond data
190: ok 11915 # SSSR size matches reference
190: ok 11916 # correct SSSR count
190: ok 11917 # ring membership passed
190: ok 11918 # correct SSSR count
190: ok 11919 # ring membership passed
190: ok 11920 # correct SSSR count
190: ok 11921 # ring membership passed
190: ok 11922 # correct SSSR count
190: ok 11923 # ring membership passed
190: ok 11924 # correct SSSR count
190: ok 11925 # ring membership passed
190: ok 11926 # correct SSSR count
190: ok 11927 # ring membership passed
190: ok 11928 # correct SSSR count
190: ok 11929 # ring membership passed
190: ok 11930 # correct SSSR count
190: ok 11931 # ring membership passed
190: ok 11932 # correct SSSR count
190: ok 11933 # ring membership passed
190: ok 11934 # correct SSSR count
190: ok 11935 # ring membership passed
190: ok 11936 # correct SSSR count
190: ok 11937 # ring membership passed
190: ok 11938 # correct SSSR count
190: ok 11939 # ring membership passed
190: ok 11940 # correct SSSR count
190: ok 11941 # ring membership passed
190: ok 11942 # correct SSSR count
190: ok 11943 # ring membership passed
190: ok 11944 # correct SSSR count
190: ok 11945 # ring membership passed
190: ok 11946 # correct ring bond data
190: ok 11947 # correct ring bond data
190: ok 11948 # correct ring bond data
190: ok 11949 # correct ring bond data
190: ok 11950 # correct ring bond data
190: ok 11951 # correct ring bond data
190: ok 11952 # correct ring bond data
190: ok 11953 # correct ring bond data
190: ok 11954 # correct ring bond data
190: ok 11955 # correct ring bond data
190: ok 11956 # correct ring bond data
190: ok 11957 # correct ring bond data
190: ok 11958 # correct ring bond data
190: ok 11959 # correct ring bond data
190: ok 11960 # correct ring bond data
190: ok 11961 # correct ring bond data
190: ok 11962 # correct ring bond data
190: ok 11963 # correct ring bond data
190: ok 11964 # correct ring bond data
190: ok 11965 # correct ring bond data
190: ok 11966 # correct ring bond data
190: ok 11967 # correct ring bond data
190: ok 11968 # correct ring bond data
190: ok 11969 # correct ring bond data
190: ok 11970 # correct ring bond data
190: ok 11971 # correct ring bond data
190: ok 11972 # correct ring bond data
190: ok 11973 # correct ring bond data
190: ok 11974 # correct ring bond data
190: ok 11975 # correct ring bond data
190: ok 11976 # correct ring bond data
190: ok 11977 # SSSR size matches reference
190: ok 11978 # correct SSSR count
190: ok 11979 # ring membership passed
190: ok 11980 # correct SSSR count
190: ok 11981 # ring membership passed
190: ok 11982 # correct SSSR count
190: ok 11983 # ring membership passed
190: ok 11984 # correct SSSR count
190: ok 11985 # ring membership passed
190: ok 11986 # correct SSSR count
190: ok 11987 # ring membership passed
190: ok 11988 # correct SSSR count
190: ok 11989 # ring membership passed
190: ok 11990 # correct SSSR count
190: ok 11991 # ring membership passed
190: ok 11992 # correct SSSR count
190: ok 11993 # ring membership passed
190: ok 11994 # correct SSSR count
190: ok 11995 # ring membership passed
190: ok 11996 # correct SSSR count
190: ok 11997 # ring membership passed
190: ok 11998 # correct SSSR count
190: ok 11999 # ring membership passed
190: ok 12000 # correct SSSR count
190: ok 12001 # ring membership passed
190: ok 12002 # correct SSSR count
190: ok 12003 # ring membership passed
190: ok 12004 # correct SSSR count
190: ok 12005 # ring membership passed
190: ok 12006 # correct SSSR count
190: ok 12007 # ring membership passed
190: ok 12008 # correct SSSR count
190: ok 12009 # ring membership passed
190: ok 12010 # correct SSSR count
190: ok 12011 # ring membership passed
190: ok 12012 # correct SSSR count
190: ok 12013 # ring membership passed
190: ok 12014 # correct SSSR count
190: ok 12015 # ring membership passed
190: ok 12016 # correct SSSR count
190: ok 12017 # ring membership passed
190: ok 12018 # correct SSSR count
190: ok 12019 # ring membership passed
190: ok 12020 # correct SSSR count
190: ok 12021 # ring membership passed
190: ok 12022 # correct SSSR count
190: ok 12023 # ring membership passed
190: ok 12024 # correct SSSR count
190: ok 12025 # ring membership passed
190: ok 12026 # correct SSSR count
190: ok 12027 # ring membership passed
190: ok 12028 # correct SSSR count
190: ok 12029 # ring membership passed
190: ok 12030 # correct SSSR count
190: ok 12031 # ring membership passed
190: ok 12032 # correct SSSR count
190: ok 12033 # ring membership passed
190: ok 12034 # correct ring bond data
190: ok 12035 # correct ring bond data
190: ok 12036 # correct ring bond data
190: ok 12037 # correct ring bond data
190: ok 12038 # correct ring bond data
190: ok 12039 # correct ring bond data
190: ok 12040 # correct ring bond data
190: ok 12041 # correct ring bond data
190: ok 12042 # correct ring bond data
190: ok 12043 # correct ring bond data
190: ok 12044 # correct ring bond data
190: ok 12045 # correct ring bond data
190: ok 12046 # correct ring bond data
190: ok 12047 # correct ring bond data
190: ok 12048 # correct ring bond data
190: ok 12049 # correct ring bond data
190: ok 12050 # correct ring bond data
190: ok 12051 # SSSR size matches reference
190: ok 12052 # correct SSSR count
190: ok 12053 # ring membership passed
190: ok 12054 # correct SSSR count
190: ok 12055 # ring membership passed
190: ok 12056 # correct SSSR count
190: ok 12057 # ring membership passed
190: ok 12058 # correct SSSR count
190: ok 12059 # ring membership passed
190: ok 12060 # correct SSSR count
190: ok 12061 # ring membership passed
190: ok 12062 # correct SSSR count
190: ok 12063 # ring membership passed
190: ok 12064 # correct SSSR count
190: ok 12065 # ring membership passed
190: ok 12066 # correct SSSR count
190: ok 12067 # ring membership passed
190: ok 12068 # correct SSSR count
190: ok 12069 # ring membership passed
190: ok 12070 # correct SSSR count
190: ok 12071 # ring membership passed
190: ok 12072 # correct SSSR count
190: ok 12073 # ring membership passed
190: ok 12074 # correct SSSR count
190: ok 12075 # ring membership passed
190: ok 12076 # correct SSSR count
190: ok 12077 # ring membership passed
190: ok 12078 # correct SSSR count
190: ok 12079 # ring membership passed
190: ok 12080 # correct SSSR count
190: ok 12081 # ring membership passed
190: ok 12082 # correct SSSR count
190: ok 12083 # ring membership passed
190: ok 12084 # correct SSSR count
190: ok 12085 # ring membership passed
190: ok 12086 # correct ring bond data
190: ok 12087 # correct ring bond data
190: ok 12088 # correct ring bond data
190: ok 12089 # correct ring bond data
190: ok 12090 # correct ring bond data
190: ok 12091 # correct ring bond data
190: ok 12092 # correct ring bond data
190: ok 12093 # correct ring bond data
190: ok 12094 # correct ring bond data
190: ok 12095 # correct ring bond data
190: ok 12096 # correct ring bond data
190: ok 12097 # correct ring bond data
190: ok 12098 # correct ring bond data
190: ok 12099 # correct ring bond data
190: ok 12100 # correct ring bond data
190: ok 12101 # correct ring bond data
190: ok 12102 # correct ring bond data
190: ok 12103 # correct ring bond data
190: ok 12104 # correct ring bond data
190: ok 12105 # correct ring bond data
190: ok 12106 # correct ring bond data
190: ok 12107 # correct ring bond data
190: ok 12108 # correct ring bond data
190: ok 12109 # correct ring bond data
190: ok 12110 # correct ring bond data
190: ok 12111 # correct ring bond data
190: ok 12112 # SSSR size matches reference
190: ok 12113 # correct SSSR count
190: ok 12114 # ring membership passed
190: ok 12115 # correct SSSR count
190: ok 12116 # ring membership passed
190: ok 12117 # correct SSSR count
190: ok 12118 # ring membership passed
190: ok 12119 # correct SSSR count
190: ok 12120 # ring membership passed
190: ok 12121 # correct SSSR count
190: ok 12122 # ring membership passed
190: ok 12123 # correct SSSR count
190: ok 12124 # ring membership passed
190: ok 12125 # correct SSSR count
190: ok 12126 # ring membership passed
190: ok 12127 # correct SSSR count
190: ok 12128 # ring membership passed
190: ok 12129 # correct SSSR count
190: ok 12130 # ring membership passed
190: ok 12131 # correct SSSR count
190: ok 12132 # ring membership passed
190: ok 12133 # correct SSSR count
190: ok 12134 # ring membership passed
190: ok 12135 # correct SSSR count
190: ok 12136 # ring membership passed
190: ok 12137 # correct SSSR count
190: ok 12138 # ring membership passed
190: ok 12139 # correct SSSR count
190: ok 12140 # ring membership passed
190: ok 12141 # correct SSSR count
190: ok 12142 # ring membership passed
190: ok 12143 # correct SSSR count
190: ok 12144 # ring membership passed
190: ok 12145 # correct SSSR count
190: ok 12146 # ring membership passed
190: ok 12147 # correct SSSR count
190: ok 12148 # ring membership passed
190: ok 12149 # correct SSSR count
190: ok 12150 # ring membership passed
190: ok 12151 # correct SSSR count
190: ok 12152 # ring membership passed
190: ok 12153 # correct SSSR count
190: ok 12154 # ring membership passed
190: ok 12155 # correct SSSR count
190: ok 12156 # ring membership passed
190: ok 12157 # correct SSSR count
190: ok 12158 # ring membership passed
190: ok 12159 # correct SSSR count
190: ok 12160 # ring membership passed
190: ok 12161 # correct ring bond data
190: ok 12162 # correct ring bond data
190: ok 12163 # correct ring bond data
190: ok 12164 # correct ring bond data
190: ok 12165 # correct ring bond data
190: ok 12166 # correct ring bond data
190: ok 12167 # correct ring bond data
190: ok 12168 # correct ring bond data
190: ok 12169 # correct ring bond data
190: ok 12170 # correct ring bond data
190: ok 12171 # correct ring bond data
190: ok 12172 # correct ring bond data
190: ok 12173 # correct ring bond data
190: ok 12174 # correct ring bond data
190: ok 12175 # correct ring bond data
190: ok 12176 # correct ring bond data
190: ok 12177 # correct ring bond data
190: ok 12178 # correct ring bond data
190: ok 12179 # correct ring bond data
190: ok 12180 # correct ring bond data
190: ok 12181 # correct ring bond data
190: ok 12182 # correct ring bond data
190: ok 12183 # correct ring bond data
190: ok 12184 # correct ring bond data
190: ok 12185 # correct ring bond data
190: ok 12186 # correct ring bond data
190: ok 12187 # correct ring bond data
190: ok 12188 # correct ring bond data
190: ok 12189 # SSSR size matches reference
190: ok 12190 # correct SSSR count
190: ok 12191 # ring membership passed
190: ok 12192 # correct SSSR count
190: ok 12193 # ring membership passed
190: ok 12194 # correct SSSR count
190: ok 12195 # ring membership passed
190: ok 12196 # correct SSSR count
190: ok 12197 # ring membership passed
190: ok 12198 # correct SSSR count
190: ok 12199 # ring membership passed
190: ok 12200 # correct SSSR count
190: ok 12201 # ring membership passed
190: ok 12202 # correct SSSR count
190: ok 12203 # ring membership passed
190: ok 12204 # correct SSSR count
190: ok 12205 # ring membership passed
190: ok 12206 # correct SSSR count
190: ok 12207 # ring membership passed
190: ok 12208 # correct SSSR count
190: ok 12209 # ring membership passed
190: ok 12210 # correct SSSR count
190: ok 12211 # ring membership passed
190: ok 12212 # correct SSSR count
190: ok 12213 # ring membership passed
190: ok 12214 # correct SSSR count
190: ok 12215 # ring membership passed
190: ok 12216 # correct SSSR count
190: ok 12217 # ring membership passed
190: ok 12218 # correct SSSR count
190: ok 12219 # ring membership passed
190: ok 12220 # correct SSSR count
190: ok 12221 # ring membership passed
190: ok 12222 # correct SSSR count
190: ok 12223 # ring membership passed
190: ok 12224 # correct SSSR count
190: ok 12225 # ring membership passed
190: ok 12226 # correct SSSR count
190: ok 12227 # ring membership passed
190: ok 12228 # correct SSSR count
190: ok 12229 # ring membership passed
190: ok 12230 # correct SSSR count
190: ok 12231 # ring membership passed
190: ok 12232 # correct SSSR count
190: ok 12233 # ring membership passed
190: ok 12234 # correct SSSR count
190: ok 12235 # ring membership passed
190: ok 12236 # correct SSSR count
190: ok 12237 # ring membership passed
190: ok 12238 # correct SSSR count
190: ok 12239 # ring membership passed
190: ok 12240 # correct SSSR count
190: ok 12241 # ring membership passed
190: ok 12242 # correct ring bond data
190: ok 12243 # correct ring bond data
190: ok 12244 # correct ring bond data
190: ok 12245 # correct ring bond data
190: ok 12246 # correct ring bond data
190: ok 12247 # correct ring bond data
190: ok 12248 # correct ring bond data
190: ok 12249 # correct ring bond data
190: ok 12250 # correct ring bond data
190: ok 12251 # SSSR size matches reference
190: ok 12252 # correct SSSR count
190: ok 12253 # ring membership passed
190: ok 12254 # correct SSSR count
190: ok 12255 # ring membership passed
190: ok 12256 # correct SSSR count
190: ok 12257 # ring membership passed
190: ok 12258 # correct SSSR count
190: ok 12259 # ring membership passed
190: ok 12260 # correct SSSR count
190: ok 12261 # ring membership passed
190: ok 12262 # correct SSSR count
190: ok 12263 # ring membership passed
190: ok 12264 # correct SSSR count
190: ok 12265 # ring membership passed
190: ok 12266 # correct SSSR count
190: ok 12267 # ring membership passed
190: ok 12268 # correct SSSR count
190: ok 12269 # ring membership passed
190: ok 12270 # correct ring bond data
190: ok 12271 # correct ring bond data
190: ok 12272 # correct ring bond data
190: ok 12273 # correct ring bond data
190: ok 12274 # correct ring bond data
190: ok 12275 # correct ring bond data
190: ok 12276 # correct ring bond data
190: ok 12277 # correct ring bond data
190: ok 12278 # correct ring bond data
190: ok 12279 # correct ring bond data
190: ok 12280 # correct ring bond data
190: ok 12281 # correct ring bond data
190: ok 12282 # correct ring bond data
190: ok 12283 # correct ring bond data
190: ok 12284 # correct ring bond data
190: ok 12285 # correct ring bond data
190: ok 12286 # correct ring bond data
190: ok 12287 # correct ring bond data
190: ok 12288 # correct ring bond data
190: ok 12289 # correct ring bond data
190: ok 12290 # correct ring bond data
190: ok 12291 # correct ring bond data
190: ok 12292 # SSSR size matches reference
190: ok 12293 # correct SSSR count
190: ok 12294 # ring membership passed
190: ok 12295 # correct SSSR count
190: ok 12296 # ring membership passed
190: ok 12297 # correct SSSR count
190: ok 12298 # ring membership passed
190: ok 12299 # correct SSSR count
190: ok 12300 # ring membership passed
190: ok 12301 # correct SSSR count
190: ok 12302 # ring membership passed
190: ok 12303 # correct SSSR count
190: ok 12304 # ring membership passed
190: ok 12305 # correct SSSR count
190: ok 12306 # ring membership passed
190: ok 12307 # correct SSSR count
190: ok 12308 # ring membership passed
190: ok 12309 # correct SSSR count
190: ok 12310 # ring membership passed
190: ok 12311 # correct SSSR count
190: ok 12312 # ring membership passed
190: ok 12313 # correct SSSR count
190: ok 12314 # ring membership passed
190: ok 12315 # correct SSSR count
190: ok 12316 # ring membership passed
190: ok 12317 # correct SSSR count
190: ok 12318 # ring membership passed
190: ok 12319 # correct SSSR count
190: ok 12320 # ring membership passed
190: ok 12321 # correct SSSR count
190: ok 12322 # ring membership passed
190: ok 12323 # correct SSSR count
190: ok 12324 # ring membership passed
190: ok 12325 # correct SSSR count
190: ok 12326 # ring membership passed
190: ok 12327 # correct SSSR count
190: ok 12328 # ring membership passed
190: ok 12329 # correct SSSR count
190: ok 12330 # ring membership passed
190: ok 12331 # correct SSSR count
190: ok 12332 # ring membership passed
190: ok 12333 # correct SSSR count
190: ok 12334 # ring membership passed
190: ok 12335 # correct ring bond data
190: ok 12336 # correct ring bond data
190: ok 12337 # correct ring bond data
190: ok 12338 # correct ring bond data
190: ok 12339 # correct ring bond data
190: ok 12340 # correct ring bond data
190: ok 12341 # correct ring bond data
190: ok 12342 # correct ring bond data
190: ok 12343 # correct ring bond data
190: ok 12344 # correct ring bond data
190: ok 12345 # correct ring bond data
190: ok 12346 # correct ring bond data
190: ok 12347 # correct ring bond data
190: ok 12348 # correct ring bond data
190: ok 12349 # correct ring bond data
190: ok 12350 # correct ring bond data
190: ok 12351 # correct ring bond data
190: ok 12352 # correct ring bond data
190: ok 12353 # correct ring bond data
190: ok 12354 # correct ring bond data
190: ok 12355 # correct ring bond data
190: ok 12356 # correct ring bond data
190: ok 12357 # correct ring bond data
190: ok 12358 # correct ring bond data
190: ok 12359 # correct ring bond data
190: ok 12360 # correct ring bond data
190: ok 12361 # SSSR size matches reference
190: ok 12362 # correct SSSR count
190: ok 12363 # ring membership passed
190: ok 12364 # correct SSSR count
190: ok 12365 # ring membership passed
190: ok 12366 # correct SSSR count
190: ok 12367 # ring membership passed
190: ok 12368 # correct SSSR count
190: ok 12369 # ring membership passed
190: ok 12370 # correct SSSR count
190: ok 12371 # ring membership passed
190: ok 12372 # correct SSSR count
190: ok 12373 # ring membership passed
190: ok 12374 # correct SSSR count
190: ok 12375 # ring membership passed
190: ok 12376 # correct SSSR count
190: ok 12377 # ring membership passed
190: ok 12378 # correct SSSR count
190: ok 12379 # ring membership passed
190: ok 12380 # correct SSSR count
190: ok 12381 # ring membership passed
190: ok 12382 # correct SSSR count
190: ok 12383 # ring membership passed
190: ok 12384 # correct SSSR count
190: ok 12385 # ring membership passed
190: ok 12386 # correct SSSR count
190: ok 12387 # ring membership passed
190: ok 12388 # correct SSSR count
190: ok 12389 # ring membership passed
190: ok 12390 # correct SSSR count
190: ok 12391 # ring membership passed
190: ok 12392 # correct SSSR count
190: ok 12393 # ring membership passed
190: ok 12394 # correct SSSR count
190: ok 12395 # ring membership passed
190: ok 12396 # correct SSSR count
190: ok 12397 # ring membership passed
190: ok 12398 # correct SSSR count
190: ok 12399 # ring membership passed
190: ok 12400 # correct SSSR count
190: ok 12401 # ring membership passed
190: ok 12402 # correct SSSR count
190: ok 12403 # ring membership passed
190: ok 12404 # correct SSSR count
190: ok 12405 # ring membership passed
190: ok 12406 # correct SSSR count
190: ok 12407 # ring membership passed
190: ok 12408 # correct SSSR count
190: ok 12409 # ring membership passed
190: ok 12410 # correct SSSR count
190: ok 12411 # ring membership passed
190: ok 12412 # correct ring bond data
190: ok 12413 # correct ring bond data
190: ok 12414 # correct ring bond data
190: ok 12415 # correct ring bond data
190: ok 12416 # correct ring bond data
190: ok 12417 # correct ring bond data
190: ok 12418 # correct ring bond data
190: ok 12419 # correct ring bond data
190: ok 12420 # correct ring bond data
190: ok 12421 # correct ring bond data
190: ok 12422 # correct ring bond data
190: ok 12423 # correct ring bond data
190: ok 12424 # correct ring bond data
190: ok 12425 # correct ring bond data
190: ok 12426 # correct ring bond data
190: ok 12427 # correct ring bond data
190: ok 12428 # correct ring bond data
190: ok 12429 # correct ring bond data
190: ok 12430 # correct ring bond data
190: ok 12431 # correct ring bond data
190: ok 12432 # correct ring bond data
190: ok 12433 # correct ring bond data
190: ok 12434 # correct ring bond data
190: ok 12435 # correct ring bond data
190: ok 12436 # correct ring bond data
190: ok 12437 # correct ring bond data
190: ok 12438 # correct ring bond data
190: ok 12439 # correct ring bond data
190: ok 12440 # correct ring bond data
190: ok 12441 # SSSR size matches reference
190: ok 12442 # correct SSSR count
190: ok 12443 # ring membership passed
190: ok 12444 # correct SSSR count
190: ok 12445 # ring membership passed
190: ok 12446 # correct SSSR count
190: ok 12447 # ring membership passed
190: ok 12448 # correct SSSR count
190: ok 12449 # ring membership passed
190: ok 12450 # correct SSSR count
190: ok 12451 # ring membership passed
190: ok 12452 # correct SSSR count
190: ok 12453 # ring membership passed
190: ok 12454 # correct SSSR count
190: ok 12455 # ring membership passed
190: ok 12456 # correct SSSR count
190: ok 12457 # ring membership passed
190: ok 12458 # correct SSSR count
190: ok 12459 # ring membership passed
190: ok 12460 # correct SSSR count
190: ok 12461 # ring membership passed
190: ok 12462 # correct SSSR count
190: ok 12463 # ring membership passed
190: ok 12464 # correct SSSR count
190: ok 12465 # ring membership passed
190: ok 12466 # correct SSSR count
190: ok 12467 # ring membership passed
190: ok 12468 # correct SSSR count
190: ok 12469 # ring membership passed
190: ok 12470 # correct SSSR count
190: ok 12471 # ring membership passed
190: ok 12472 # correct SSSR count
190: ok 12473 # ring membership passed
190: ok 12474 # correct SSSR count
190: ok 12475 # ring membership passed
190: ok 12476 # correct SSSR count
190: ok 12477 # ring membership passed
190: ok 12478 # correct SSSR count
190: ok 12479 # ring membership passed
190: ok 12480 # correct SSSR count
190: ok 12481 # ring membership passed
190: ok 12482 # correct SSSR count
190: ok 12483 # ring membership passed
190: ok 12484 # correct SSSR count
190: ok 12485 # ring membership passed
190: ok 12486 # correct SSSR count
190: ok 12487 # ring membership passed
190: ok 12488 # correct SSSR count
190: ok 12489 # ring membership passed
190: ok 12490 # correct SSSR count
190: ok 12491 # ring membership passed
190: ok 12492 # correct SSSR count
190: ok 12493 # ring membership passed
190: ok 12494 # correct SSSR count
190: ok 12495 # ring membership passed
190: ok 12496 # correct SSSR count
190: ok 12497 # ring membership passed
190: ok 12498 # correct ring bond data
190: ok 12499 # correct ring bond data
190: ok 12500 # correct ring bond data
190: ok 12501 # correct ring bond data
190: ok 12502 # correct ring bond data
190: ok 12503 # correct ring bond data
190: ok 12504 # correct ring bond data
190: ok 12505 # correct ring bond data
190: ok 12506 # correct ring bond data
190: ok 12507 # correct ring bond data
190: ok 12508 # correct ring bond data
190: ok 12509 # correct ring bond data
190: ok 12510 # correct ring bond data
190: ok 12511 # correct ring bond data
190: ok 12512 # correct ring bond data
190: ok 12513 # correct ring bond data
190: ok 12514 # correct ring bond data
190: ok 12515 # correct ring bond data
190: ok 12516 # correct ring bond data
190: ok 12517 # correct ring bond data
190: ok 12518 # correct ring bond data
190: ok 12519 # correct ring bond data
190: ok 12520 # correct ring bond data
190: ok 12521 # correct ring bond data
190: ok 12522 # SSSR size matches reference
190: ok 12523 # correct SSSR count
190: ok 12524 # ring membership passed
190: ok 12525 # correct SSSR count
190: ok 12526 # ring membership passed
190: ok 12527 # correct SSSR count
190: ok 12528 # ring membership passed
190: ok 12529 # correct SSSR count
190: ok 12530 # ring membership passed
190: ok 12531 # correct SSSR count
190: ok 12532 # ring membership passed
190: ok 12533 # correct SSSR count
190: ok 12534 # ring membership passed
190: ok 12535 # correct SSSR count
190: ok 12536 # ring membership passed
190: ok 12537 # correct SSSR count
190: ok 12538 # ring membership passed
190: ok 12539 # correct SSSR count
190: ok 12540 # ring membership passed
190: ok 12541 # correct SSSR count
190: ok 12542 # ring membership passed
190: ok 12543 # correct SSSR count
190: ok 12544 # ring membership passed
190: ok 12545 # correct SSSR count
190: ok 12546 # ring membership passed
190: ok 12547 # correct SSSR count
190: ok 12548 # ring membership passed
190: ok 12549 # correct SSSR count
190: ok 12550 # ring membership passed
190: ok 12551 # correct SSSR count
190: ok 12552 # ring membership passed
190: ok 12553 # correct SSSR count
190: ok 12554 # ring membership passed
190: ok 12555 # correct SSSR count
190: ok 12556 # ring membership passed
190: ok 12557 # correct SSSR count
190: ok 12558 # ring membership passed
190: ok 12559 # correct SSSR count
190: ok 12560 # ring membership passed
190: ok 12561 # correct SSSR count
190: ok 12562 # ring membership passed
190: ok 12563 # correct SSSR count
190: ok 12564 # ring membership passed
190: ok 12565 # correct SSSR count
190: ok 12566 # ring membership passed
190: ok 12567 # correct SSSR count
190: ok 12568 # ring membership passed
190: ok 12569 # correct ring bond data
190: ok 12570 # correct ring bond data
190: ok 12571 # correct ring bond data
190: ok 12572 # correct ring bond data
190: ok 12573 # correct ring bond data
190: ok 12574 # correct ring bond data
190: ok 12575 # correct ring bond data
190: ok 12576 # correct ring bond data
190: ok 12577 # correct ring bond data
190: ok 12578 # correct ring bond data
190: ok 12579 # correct ring bond data
190: ok 12580 # correct ring bond data
190: ok 12581 # correct ring bond data
190: ok 12582 # correct ring bond data
190: ok 12583 # correct ring bond data
190: ok 12584 # SSSR size matches reference
190: ok 12585 # correct SSSR count
190: ok 12586 # ring membership passed
190: ok 12587 # correct SSSR count
190: ok 12588 # ring membership passed
190: ok 12589 # correct SSSR count
190: ok 12590 # ring membership passed
190: ok 12591 # correct SSSR count
190: ok 12592 # ring membership passed
190: ok 12593 # correct SSSR count
190: ok 12594 # ring membership passed
190: ok 12595 # correct SSSR count
190: ok 12596 # ring membership passed
190: ok 12597 # correct SSSR count
190: ok 12598 # ring membership passed
190: ok 12599 # correct SSSR count
190: ok 12600 # ring membership passed
190: ok 12601 # correct SSSR count
190: ok 12602 # ring membership passed
190: ok 12603 # correct SSSR count
190: ok 12604 # ring membership passed
190: ok 12605 # correct SSSR count
190: ok 12606 # ring membership passed
190: ok 12607 # correct SSSR count
190: ok 12608 # ring membership passed
190: ok 12609 # correct SSSR count
190: ok 12610 # ring membership passed
190: ok 12611 # correct SSSR count
190: ok 12612 # ring membership passed
190: ok 12613 # correct SSSR count
190: ok 12614 # ring membership passed
190: ok 12615 # correct ring bond data
190: ok 12616 # correct ring bond data
190: ok 12617 # correct ring bond data
190: ok 12618 # correct ring bond data
190: ok 12619 # correct ring bond data
190: ok 12620 # correct ring bond data
190: ok 12621 # correct ring bond data
190: ok 12622 # correct ring bond data
190: ok 12623 # correct ring bond data
190: ok 12624 # correct ring bond data
190: ok 12625 # correct ring bond data
190: ok 12626 # correct ring bond data
190: ok 12627 # correct ring bond data
190: ok 12628 # correct ring bond data
190: ok 12629 # correct ring bond data
190: ok 12630 # SSSR size matches reference
190: ok 12631 # correct SSSR count
190: ok 12632 # ring membership passed
190: ok 12633 # correct SSSR count
190: ok 12634 # ring membership passed
190: ok 12635 # correct SSSR count
190: ok 12636 # ring membership passed
190: ok 12637 # correct SSSR count
190: ok 12638 # ring membership passed
190: ok 12639 # correct SSSR count
190: ok 12640 # ring membership passed
190: ok 12641 # correct SSSR count
190: ok 12642 # ring membership passed
190: ok 12643 # correct SSSR count
190: ok 12644 # ring membership passed
190: ok 12645 # correct SSSR count
190: ok 12646 # ring membership passed
190: ok 12647 # correct SSSR count
190: ok 12648 # ring membership passed
190: ok 12649 # correct SSSR count
190: ok 12650 # ring membership passed
190: ok 12651 # correct SSSR count
190: ok 12652 # ring membership passed
190: ok 12653 # correct SSSR count
190: ok 12654 # ring membership passed
190: ok 12655 # correct SSSR count
190: ok 12656 # ring membership passed
190: ok 12657 # correct SSSR count
190: ok 12658 # ring membership passed
190: ok 12659 # correct SSSR count
190: ok 12660 # ring membership passed
190: ok 12661 # correct ring bond data
190: ok 12662 # correct ring bond data
190: ok 12663 # correct ring bond data
190: ok 12664 # correct ring bond data
190: ok 12665 # correct ring bond data
190: ok 12666 # correct ring bond data
190: ok 12667 # correct ring bond data
190: ok 12668 # correct ring bond data
190: ok 12669 # correct ring bond data
190: ok 12670 # correct ring bond data
190: ok 12671 # correct ring bond data
190: ok 12672 # correct ring bond data
190: ok 12673 # correct ring bond data
190: ok 12674 # correct ring bond data
190: ok 12675 # correct ring bond data
190: ok 12676 # correct ring bond data
190: ok 12677 # correct ring bond data
190: ok 12678 # correct ring bond data
190: ok 12679 # SSSR size matches reference
190: ok 12680 # correct SSSR count
190: ok 12681 # ring membership passed
190: ok 12682 # correct SSSR count
190: ok 12683 # ring membership passed
190: ok 12684 # correct SSSR count
190: ok 12685 # ring membership passed
190: ok 12686 # correct SSSR count
190: ok 12687 # ring membership passed
190: ok 12688 # correct SSSR count
190: ok 12689 # ring membership passed
190: ok 12690 # correct SSSR count
190: ok 12691 # ring membership passed
190: ok 12692 # correct SSSR count
190: ok 12693 # ring membership passed
190: ok 12694 # correct SSSR count
190: ok 12695 # ring membership passed
190: ok 12696 # correct SSSR count
190: ok 12697 # ring membership passed
190: ok 12698 # correct SSSR count
190: ok 12699 # ring membership passed
190: ok 12700 # correct SSSR count
190: ok 12701 # ring membership passed
190: ok 12702 # correct SSSR count
190: ok 12703 # ring membership passed
190: ok 12704 # correct SSSR count
190: ok 12705 # ring membership passed
190: ok 12706 # correct SSSR count
190: ok 12707 # ring membership passed
190: ok 12708 # correct SSSR count
190: ok 12709 # ring membership passed
190: ok 12710 # correct SSSR count
190: ok 12711 # ring membership passed
190: ok 12712 # correct SSSR count
190: ok 12713 # ring membership passed
190: ok 12714 # correct ring bond data
190: ok 12715 # correct ring bond data
190: ok 12716 # correct ring bond data
190: ok 12717 # correct ring bond data
190: ok 12718 # correct ring bond data
190: ok 12719 # correct ring bond data
190: ok 12720 # correct ring bond data
190: ok 12721 # correct ring bond data
190: ok 12722 # correct ring bond data
190: ok 12723 # correct ring bond data
190: ok 12724 # correct ring bond data
190: ok 12725 # correct ring bond data
190: ok 12726 # correct ring bond data
190: ok 12727 # correct ring bond data
190: ok 12728 # SSSR size matches reference
190: ok 12729 # correct SSSR count
190: ok 12730 # ring membership passed
190: ok 12731 # correct SSSR count
190: ok 12732 # ring membership passed
190: ok 12733 # correct SSSR count
190: ok 12734 # ring membership passed
190: ok 12735 # correct SSSR count
190: ok 12736 # ring membership passed
190: ok 12737 # correct SSSR count
190: ok 12738 # ring membership passed
190: ok 12739 # correct SSSR count
190: ok 12740 # ring membership passed
190: ok 12741 # correct SSSR count
190: ok 12742 # ring membership passed
190: ok 12743 # correct SSSR count
190: ok 12744 # ring membership passed
190: ok 12745 # correct SSSR count
190: ok 12746 # ring membership passed
190: ok 12747 # correct SSSR count
190: ok 12748 # ring membership passed
190: ok 12749 # correct SSSR count
190: ok 12750 # ring membership passed
190: ok 12751 # correct SSSR count
190: ok 12752 # ring membership passed
190: ok 12753 # correct SSSR count
190: ok 12754 # ring membership passed
190: ok 12755 # correct SSSR count
190: ok 12756 # ring membership passed
190: ok 12757 # correct ring bond data
190: ok 12758 # correct ring bond data
190: ok 12759 # correct ring bond data
190: ok 12760 # correct ring bond data
190: ok 12761 # correct ring bond data
190: ok 12762 # correct ring bond data
190: ok 12763 # correct ring bond data
190: ok 12764 # correct ring bond data
190: ok 12765 # SSSR size matches reference
190: ok 12766 # correct SSSR count
190: ok 12767 # ring membership passed
190: ok 12768 # correct SSSR count
190: ok 12769 # ring membership passed
190: ok 12770 # correct SSSR count
190: ok 12771 # ring membership passed
190: ok 12772 # correct SSSR count
190: ok 12773 # ring membership passed
190: ok 12774 # correct SSSR count
190: ok 12775 # ring membership passed
190: ok 12776 # correct SSSR count
190: ok 12777 # ring membership passed
190: ok 12778 # correct SSSR count
190: ok 12779 # ring membership passed
190: ok 12780 # correct SSSR count
190: ok 12781 # ring membership passed
190: ok 12782 # correct ring bond data
190: ok 12783 # correct ring bond data
190: ok 12784 # correct ring bond data
190: ok 12785 # correct ring bond data
190: ok 12786 # correct ring bond data
190: ok 12787 # correct ring bond data
190: ok 12788 # correct ring bond data
190: ok 12789 # correct ring bond data
190: ok 12790 # correct ring bond data
190: ok 12791 # correct ring bond data
190: ok 12792 # SSSR size matches reference
190: ok 12793 # correct SSSR count
190: ok 12794 # ring membership passed
190: ok 12795 # correct SSSR count
190: ok 12796 # ring membership passed
190: ok 12797 # correct SSSR count
190: ok 12798 # ring membership passed
190: ok 12799 # correct SSSR count
190: ok 12800 # ring membership passed
190: ok 12801 # correct SSSR count
190: ok 12802 # ring membership passed
190: ok 12803 # correct SSSR count
190: ok 12804 # ring membership passed
190: ok 12805 # correct SSSR count
190: ok 12806 # ring membership passed
190: ok 12807 # correct SSSR count
190: ok 12808 # ring membership passed
190: ok 12809 # correct SSSR count
190: ok 12810 # ring membership passed
190: ok 12811 # correct SSSR count
190: ok 12812 # ring membership passed
190: ok 12813 # correct ring bond data
190: ok 12814 # correct ring bond data
190: ok 12815 # correct ring bond data
190: ok 12816 # correct ring bond data
190: ok 12817 # correct ring bond data
190: ok 12818 # correct ring bond data
190: ok 12819 # correct ring bond data
190: ok 12820 # correct ring bond data
190: ok 12821 # correct ring bond data
190: ok 12822 # correct ring bond data
190: ok 12823 # correct ring bond data
190: ok 12824 # correct ring bond data
190: ok 12825 # correct ring bond data
190: ok 12826 # SSSR size matches reference
190: ok 12827 # correct SSSR count
190: ok 12828 # ring membership passed
190: ok 12829 # correct SSSR count
190: ok 12830 # ring membership passed
190: ok 12831 # correct SSSR count
190: ok 12832 # ring membership passed
190: ok 12833 # correct SSSR count
190: ok 12834 # ring membership passed
190: ok 12835 # correct SSSR count
190: ok 12836 # ring membership passed
190: ok 12837 # correct SSSR count
190: ok 12838 # ring membership passed
190: ok 12839 # correct SSSR count
190: ok 12840 # ring membership passed
190: ok 12841 # correct SSSR count
190: ok 12842 # ring membership passed
190: ok 12843 # correct SSSR count
190: ok 12844 # ring membership passed
190: ok 12845 # correct SSSR count
190: ok 12846 # ring membership passed
190: ok 12847 # correct SSSR count
190: ok 12848 # ring membership passed
190: ok 12849 # correct SSSR count
190: ok 12850 # ring membership passed
190: ok 12851 # correct SSSR count
190: ok 12852 # ring membership passed
190: ok 12853 # correct ring bond data
190: ok 12854 # correct ring bond data
190: ok 12855 # correct ring bond data
190: ok 12856 # correct ring bond data
190: ok 12857 # correct ring bond data
190: ok 12858 # correct ring bond data
190: ok 12859 # correct ring bond data
190: ok 12860 # correct ring bond data
190: ok 12861 # correct ring bond data
190: ok 12862 # SSSR size matches reference
190: ok 12863 # correct SSSR count
190: ok 12864 # ring membership passed
190: ok 12865 # correct SSSR count
190: ok 12866 # ring membership passed
190: ok 12867 # correct SSSR count
190: ok 12868 # ring membership passed
190: ok 12869 # correct SSSR count
190: ok 12870 # ring membership passed
190: ok 12871 # correct SSSR count
190: ok 12872 # ring membership passed
190: ok 12873 # correct SSSR count
190: ok 12874 # ring membership passed
190: ok 12875 # correct SSSR count
190: ok 12876 # ring membership passed
190: ok 12877 # correct SSSR count
190: ok 12878 # ring membership passed
190: ok 12879 # correct SSSR count
190: ok 12880 # ring membership passed
190: ok 12881 # correct ring bond data
190: ok 12882 # correct ring bond data
190: ok 12883 # correct ring bond data
190: ok 12884 # correct ring bond data
190: ok 12885 # correct ring bond data
190: ok 12886 # correct ring bond data
190: ok 12887 # correct ring bond data
190: ok 12888 # SSSR size matches reference
190: ok 12889 # correct SSSR count
190: ok 12890 # ring membership passed
190: ok 12891 # correct SSSR count
190: ok 12892 # ring membership passed
190: ok 12893 # correct SSSR count
190: ok 12894 # ring membership passed
190: ok 12895 # correct SSSR count
190: ok 12896 # ring membership passed
190: ok 12897 # correct SSSR count
190: ok 12898 # ring membership passed
190: ok 12899 # correct SSSR count
190: ok 12900 # ring membership passed
190: ok 12901 # correct SSSR count
190: ok 12902 # ring membership passed
190: ok 12903 # correct SSSR count
190: ok 12904 # ring membership passed
190: ok 12905 # correct ring bond data
190: ok 12906 # correct ring bond data
190: ok 12907 # correct ring bond data
190: ok 12908 # correct ring bond data
190: ok 12909 # correct ring bond data
190: ok 12910 # correct ring bond data
190: ok 12911 # correct ring bond data
190: ok 12912 # correct ring bond data
190: ok 12913 # correct ring bond data
190: ok 12914 # SSSR size matches reference
190: ok 12915 # correct SSSR count
190: ok 12916 # ring membership passed
190: ok 12917 # correct SSSR count
190: ok 12918 # ring membership passed
190: ok 12919 # correct SSSR count
190: ok 12920 # ring membership passed
190: ok 12921 # correct SSSR count
190: ok 12922 # ring membership passed
190: ok 12923 # correct SSSR count
190: ok 12924 # ring membership passed
190: ok 12925 # correct SSSR count
190: ok 12926 # ring membership passed
190: ok 12927 # correct SSSR count
190: ok 12928 # ring membership passed
190: ok 12929 # correct SSSR count
190: ok 12930 # ring membership passed
190: ok 12931 # correct SSSR count
190: ok 12932 # ring membership passed
190: ok 12933 # correct SSSR count
190: ok 12934 # ring membership passed
190: ok 12935 # correct ring bond data
190: ok 12936 # correct ring bond data
190: ok 12937 # correct ring bond data
190: ok 12938 # correct ring bond data
190: ok 12939 # correct ring bond data
190: ok 12940 # correct ring bond data
190: ok 12941 # correct ring bond data
190: ok 12942 # correct ring bond data
190: ok 12943 # correct ring bond data
190: ok 12944 # correct ring bond data
190: ok 12945 # correct ring bond data
190: ok 12946 # correct ring bond data
190: ok 12947 # SSSR size matches reference
190: ok 12948 # correct SSSR count
190: ok 12949 # ring membership passed
190: ok 12950 # correct SSSR count
190: ok 12951 # ring membership passed
190: ok 12952 # correct SSSR count
190: ok 12953 # ring membership passed
190: ok 12954 # correct SSSR count
190: ok 12955 # ring membership passed
190: ok 12956 # correct SSSR count
190: ok 12957 # ring membership passed
190: ok 12958 # correct SSSR count
190: ok 12959 # ring membership passed
190: ok 12960 # correct SSSR count
190: ok 12961 # ring membership passed
190: ok 12962 # correct SSSR count
190: ok 12963 # ring membership passed
190: ok 12964 # correct SSSR count
190: ok 12965 # ring membership passed
190: ok 12966 # correct SSSR count
190: ok 12967 # ring membership passed
190: ok 12968 # correct SSSR count
190: ok 12969 # ring membership passed
190: ok 12970 # correct SSSR count
190: ok 12971 # ring membership passed
190: ok 12972 # correct SSSR count
190: ok 12973 # ring membership passed
190: ok 12974 # correct ring bond data
190: ok 12975 # correct ring bond data
190: ok 12976 # correct ring bond data
190: ok 12977 # correct ring bond data
190: ok 12978 # correct ring bond data
190: ok 12979 # correct ring bond data
190: ok 12980 # correct ring bond data
190: ok 12981 # correct ring bond data
190: ok 12982 # correct ring bond data
190: ok 12983 # correct ring bond data
190: ok 12984 # correct ring bond data
190: ok 12985 # correct ring bond data
190: ok 12986 # correct ring bond data
190: ok 12987 # correct ring bond data
190: ok 12988 # correct ring bond data
190: ok 12989 # correct ring bond data
190: ok 12990 # correct ring bond data
190: ok 12991 # correct ring bond data
190: ok 12992 # correct ring bond data
190: ok 12993 # correct ring bond data
190: ok 12994 # correct ring bond data
190: ok 12995 # correct ring bond data
190: ok 12996 # correct ring bond data
190: ok 12997 # SSSR size matches reference
190: ok 12998 # correct SSSR count
190: ok 12999 # ring membership passed
190: ok 13000 # correct SSSR count
190: ok 13001 # ring membership passed
190: ok 13002 # correct SSSR count
190: ok 13003 # ring membership passed
190: ok 13004 # correct SSSR count
190: ok 13005 # ring membership passed
190: ok 13006 # correct SSSR count
190: ok 13007 # ring membership passed
190: ok 13008 # correct SSSR count
190: ok 13009 # ring membership passed
190: ok 13010 # correct SSSR count
190: ok 13011 # ring membership passed
190: ok 13012 # correct SSSR count
190: ok 13013 # ring membership passed
190: ok 13014 # correct SSSR count
190: ok 13015 # ring membership passed
190: ok 13016 # correct SSSR count
190: ok 13017 # ring membership passed
190: ok 13018 # correct SSSR count
190: ok 13019 # ring membership passed
190: ok 13020 # correct SSSR count
190: ok 13021 # ring membership passed
190: ok 13022 # correct SSSR count
190: ok 13023 # ring membership passed
190: ok 13024 # correct SSSR count
190: ok 13025 # ring membership passed
190: ok 13026 # correct SSSR count
190: ok 13027 # ring membership passed
190: ok 13028 # correct SSSR count
190: ok 13029 # ring membership passed
190: ok 13030 # correct SSSR count
190: ok 13031 # ring membership passed
190: ok 13032 # correct SSSR count
190: ok 13033 # ring membership passed
190: ok 13034 # correct SSSR count
190: ok 13035 # ring membership passed
190: ok 13036 # correct SSSR count
190: ok 13037 # ring membership passed
190: ok 13038 # correct SSSR count
190: ok 13039 # ring membership passed
190: ok 13040 # correct ring bond data
190: ok 13041 # correct ring bond data
190: ok 13042 # correct ring bond data
190: ok 13043 # correct ring bond data
190: ok 13044 # correct ring bond data
190: ok 13045 # correct ring bond data
190: ok 13046 # correct ring bond data
190: ok 13047 # correct ring bond data
190: ok 13048 # correct ring bond data
190: ok 13049 # correct ring bond data
190: ok 13050 # correct ring bond data
190: ok 13051 # correct ring bond data
190: ok 13052 # SSSR size matches reference
190: ok 13053 # correct SSSR count
190: ok 13054 # ring membership passed
190: ok 13055 # correct SSSR count
190: ok 13056 # ring membership passed
190: ok 13057 # correct SSSR count
190: ok 13058 # ring membership passed
190: ok 13059 # correct SSSR count
190: ok 13060 # ring membership passed
190: ok 13061 # correct SSSR count
190: ok 13062 # ring membership passed
190: ok 13063 # correct SSSR count
190: ok 13064 # ring membership passed
190: ok 13065 # correct SSSR count
190: ok 13066 # ring membership passed
190: ok 13067 # correct SSSR count
190: ok 13068 # ring membership passed
190: ok 13069 # correct SSSR count
190: ok 13070 # ring membership passed
190: ok 13071 # correct SSSR count
190: ok 13072 # ring membership passed
190: ok 13073 # correct SSSR count
190: ok 13074 # ring membership passed
190: ok 13075 # correct SSSR count
190: ok 13076 # ring membership passed
190: ok 13077 # correct ring bond data
190: ok 13078 # correct ring bond data
190: ok 13079 # correct ring bond data
190: ok 13080 # correct ring bond data
190: ok 13081 # correct ring bond data
190: ok 13082 # correct ring bond data
190: ok 13083 # correct ring bond data
190: ok 13084 # correct ring bond data
190: ok 13085 # correct ring bond data
190: ok 13086 # correct ring bond data
190: ok 13087 # correct ring bond data
190: ok 13088 # correct ring bond data
190: ok 13089 # correct ring bond data
190: ok 13090 # correct ring bond data
190: ok 13091 # correct ring bond data
190: ok 13092 # correct ring bond data
190: ok 13093 # correct ring bond data
190: ok 13094 # correct ring bond data
190: ok 13095 # correct ring bond data
190: ok 13096 # correct ring bond data
190: ok 13097 # correct ring bond data
190: ok 13098 # correct ring bond data
190: ok 13099 # SSSR size matches reference
190: ok 13100 # correct SSSR count
190: ok 13101 # ring membership passed
190: ok 13102 # correct SSSR count
190: ok 13103 # ring membership passed
190: ok 13104 # correct SSSR count
190: ok 13105 # ring membership passed
190: ok 13106 # correct SSSR count
190: ok 13107 # ring membership passed
190: ok 13108 # correct SSSR count
190: ok 13109 # ring membership passed
190: ok 13110 # correct SSSR count
190: ok 13111 # ring membership passed
190: ok 13112 # correct SSSR count
190: ok 13113 # ring membership passed
190: ok 13114 # correct SSSR count
190: ok 13115 # ring membership passed
190: ok 13116 # correct SSSR count
190: ok 13117 # ring membership passed
190: ok 13118 # correct SSSR count
190: ok 13119 # ring membership passed
190: ok 13120 # correct SSSR count
190: ok 13121 # ring membership passed
190: ok 13122 # correct SSSR count
190: ok 13123 # ring membership passed
190: ok 13124 # correct SSSR count
190: ok 13125 # ring membership passed
190: ok 13126 # correct SSSR count
190: ok 13127 # ring membership passed
190: ok 13128 # correct SSSR count
190: ok 13129 # ring membership passed
190: ok 13130 # correct SSSR count
190: ok 13131 # ring membership passed
190: ok 13132 # correct SSSR count
190: ok 13133 # ring membership passed
190: ok 13134 # correct SSSR count
190: ok 13135 # ring membership passed
190: ok 13136 # correct SSSR count
190: ok 13137 # ring membership passed
190: ok 13138 # correct ring bond data
190: ok 13139 # correct ring bond data
190: ok 13140 # correct ring bond data
190: ok 13141 # correct ring bond data
190: ok 13142 # correct ring bond data
190: ok 13143 # correct ring bond data
190: ok 13144 # correct ring bond data
190: ok 13145 # correct ring bond data
190: ok 13146 # correct ring bond data
190: ok 13147 # correct ring bond data
190: ok 13148 # SSSR size matches reference
190: ok 13149 # correct SSSR count
190: ok 13150 # ring membership passed
190: ok 13151 # correct SSSR count
190: ok 13152 # ring membership passed
190: ok 13153 # correct SSSR count
190: ok 13154 # ring membership passed
190: ok 13155 # correct SSSR count
190: ok 13156 # ring membership passed
190: ok 13157 # correct SSSR count
190: ok 13158 # ring membership passed
190: ok 13159 # correct SSSR count
190: ok 13160 # ring membership passed
190: ok 13161 # correct SSSR count
190: ok 13162 # ring membership passed
190: ok 13163 # correct SSSR count
190: ok 13164 # ring membership passed
190: ok 13165 # correct SSSR count
190: ok 13166 # ring membership passed
190: ok 13167 # correct SSSR count
190: ok 13168 # ring membership passed
190: ok 13169 # correct ring bond data
190: ok 13170 # correct ring bond data
190: ok 13171 # correct ring bond data
190: ok 13172 # correct ring bond data
190: ok 13173 # correct ring bond data
190: ok 13174 # correct ring bond data
190: ok 13175 # correct ring bond data
190: ok 13176 # correct ring bond data
190: ok 13177 # correct ring bond data
190: ok 13178 # correct ring bond data
190: ok 13179 # correct ring bond data
190: ok 13180 # correct ring bond data
190: ok 13181 # correct ring bond data
190: ok 13182 # correct ring bond data
190: ok 13183 # correct ring bond data
190: ok 13184 # correct ring bond data
190: ok 13185 # correct ring bond data
190: ok 13186 # correct ring bond data
190: ok 13187 # correct ring bond data
190: ok 13188 # correct ring bond data
190: ok 13189 # correct ring bond data
190: ok 13190 # correct ring bond data
190: ok 13191 # correct ring bond data
190: ok 13192 # correct ring bond data
190: ok 13193 # correct ring bond data
190: ok 13194 # correct ring bond data
190: ok 13195 # correct ring bond data
190: ok 13196 # correct ring bond data
190: ok 13197 # correct ring bond data
190: ok 13198 # correct ring bond data
190: ok 13199 # correct ring bond data
190: ok 13200 # correct ring bond data
190: ok 13201 # correct ring bond data
190: ok 13202 # correct ring bond data
190: ok 13203 # correct ring bond data
190: ok 13204 # correct ring bond data
190: ok 13205 # correct ring bond data
190: ok 13206 # correct ring bond data
190: ok 13207 # correct ring bond data
190: ok 13208 # correct ring bond data
190: ok 13209 # correct ring bond data
190: ok 13210 # correct ring bond data
190: ok 13211 # correct ring bond data
190: ok 13212 # correct ring bond data
190: ok 13213 # correct ring bond data
190: ok 13214 # correct ring bond data
190: ok 13215 # correct ring bond data
190: ok 13216 # correct ring bond data
190: ok 13217 # correct ring bond data
190: ok 13218 # correct ring bond data
190: ok 13219 # correct ring bond data
190: ok 13220 # correct ring bond data
190: ok 13221 # correct ring bond data
190: ok 13222 # correct ring bond data
190: ok 13223 # correct ring bond data
190: ok 13224 # correct ring bond data
190: ok 13225 # SSSR size matches reference
190: ok 13226 # correct SSSR count
190: ok 13227 # ring membership passed
190: ok 13228 # correct SSSR count
190: ok 13229 # ring membership passed
190: ok 13230 # correct SSSR count
190: ok 13231 # ring membership passed
190: ok 13232 # correct SSSR count
190: ok 13233 # ring membership passed
190: ok 13234 # correct SSSR count
190: ok 13235 # ring membership passed
190: ok 13236 # correct SSSR count
190: ok 13237 # ring membership passed
190: ok 13238 # correct SSSR count
190: ok 13239 # ring membership passed
190: ok 13240 # correct SSSR count
190: ok 13241 # ring membership passed
190: ok 13242 # correct SSSR count
190: ok 13243 # ring membership passed
190: ok 13244 # correct SSSR count
190: ok 13245 # ring membership passed
190: ok 13246 # correct SSSR count
190: ok 13247 # ring membership passed
190: ok 13248 # correct SSSR count
190: ok 13249 # ring membership passed
190: ok 13250 # correct SSSR count
190: ok 13251 # ring membership passed
190: ok 13252 # correct SSSR count
190: ok 13253 # ring membership passed
190: ok 13254 # correct SSSR count
190: ok 13255 # ring membership passed
190: ok 13256 # correct SSSR count
190: ok 13257 # ring membership passed
190: ok 13258 # correct SSSR count
190: ok 13259 # ring membership passed
190: ok 13260 # correct SSSR count
190: ok 13261 # ring membership passed
190: ok 13262 # correct SSSR count
190: ok 13263 # ring membership passed
190: ok 13264 # correct SSSR count
190: ok 13265 # ring membership passed
190: ok 13266 # correct SSSR count
190: ok 13267 # ring membership passed
190: ok 13268 # correct SSSR count
190: ok 13269 # ring membership passed
190: ok 13270 # correct SSSR count
190: ok 13271 # ring membership passed
190: ok 13272 # correct SSSR count
190: ok 13273 # ring membership passed
190: ok 13274 # correct SSSR count
190: ok 13275 # ring membership passed
190: ok 13276 # correct SSSR count
190: ok 13277 # ring membership passed
190: ok 13278 # correct SSSR count
190: ok 13279 # ring membership passed
190: ok 13280 # correct SSSR count
190: ok 13281 # ring membership passed
190: ok 13282 # correct SSSR count
190: ok 13283 # ring membership passed
190: ok 13284 # correct SSSR count
190: ok 13285 # ring membership passed
190: ok 13286 # correct SSSR count
190: ok 13287 # ring membership passed
190: ok 13288 # correct SSSR count
190: ok 13289 # ring membership passed
190: ok 13290 # correct SSSR count
190: ok 13291 # ring membership passed
190: ok 13292 # correct SSSR count
190: ok 13293 # ring membership passed
190: ok 13294 # correct SSSR count
190: ok 13295 # ring membership passed
190: ok 13296 # correct SSSR count
190: ok 13297 # ring membership passed
190: ok 13298 # correct SSSR count
190: ok 13299 # ring membership passed
190: ok 13300 # correct SSSR count
190: ok 13301 # ring membership passed
190: ok 13302 # correct SSSR count
190: ok 13303 # ring membership passed
190: ok 13304 # correct SSSR count
190: ok 13305 # ring membership passed
190: ok 13306 # correct SSSR count
190: ok 13307 # ring membership passed
190: ok 13308 # correct SSSR count
190: ok 13309 # ring membership passed
190: ok 13310 # correct SSSR count
190: ok 13311 # ring membership passed
190: ok 13312 # correct SSSR count
190: ok 13313 # ring membership passed
190: ok 13314 # correct SSSR count
190: ok 13315 # ring membership passed
190: ok 13316 # correct SSSR count
190: ok 13317 # ring membership passed
190: ok 13318 # correct SSSR count
190: ok 13319 # ring membership passed
190: ok 13320 # correct SSSR count
190: ok 13321 # ring membership passed
190: ok 13322 # correct SSSR count
190: ok 13323 # ring membership passed
190: ok 13324 # correct SSSR count
190: ok 13325 # ring membership passed
190: ok 13326 # correct SSSR count
190: ok 13327 # ring membership passed
190: ok 13328 # correct ring bond data
190: ok 13329 # correct ring bond data
190: ok 13330 # correct ring bond data
190: ok 13331 # correct ring bond data
190: ok 13332 # correct ring bond data
190: ok 13333 # correct ring bond data
190: ok 13334 # correct ring bond data
190: ok 13335 # correct ring bond data
190: ok 13336 # correct ring bond data
190: ok 13337 # correct ring bond data
190: ok 13338 # SSSR size matches reference
190: ok 13339 # correct SSSR count
190: ok 13340 # ring membership passed
190: ok 13341 # correct SSSR count
190: ok 13342 # ring membership passed
190: ok 13343 # correct SSSR count
190: ok 13344 # ring membership passed
190: ok 13345 # correct SSSR count
190: ok 13346 # ring membership passed
190: ok 13347 # correct SSSR count
190: ok 13348 # ring membership passed
190: ok 13349 # correct SSSR count
190: ok 13350 # ring membership passed
190: ok 13351 # correct SSSR count
190: ok 13352 # ring membership passed
190: ok 13353 # correct SSSR count
190: ok 13354 # ring membership passed
190: ok 13355 # correct SSSR count
190: ok 13356 # ring membership passed
190: ok 13357 # correct SSSR count
190: ok 13358 # ring membership passed
190: ok 13359 # correct ring bond data
190: ok 13360 # correct ring bond data
190: ok 13361 # correct ring bond data
190: ok 13362 # correct ring bond data
190: ok 13363 # correct ring bond data
190: ok 13364 # correct ring bond data
190: ok 13365 # correct ring bond data
190: ok 13366 # correct ring bond data
190: ok 13367 # correct ring bond data
190: ok 13368 # correct ring bond data
190: ok 13369 # correct ring bond data
190: ok 13370 # correct ring bond data
190: ok 13371 # correct ring bond data
190: ok 13372 # correct ring bond data
190: ok 13373 # correct ring bond data
190: ok 13374 # correct ring bond data
190: ok 13375 # correct ring bond data
190: ok 13376 # correct ring bond data
190: ok 13377 # correct ring bond data
190: ok 13378 # correct ring bond data
190: ok 13379 # correct ring bond data
190: ok 13380 # correct ring bond data
190: ok 13381 # correct ring bond data
190: ok 13382 # correct ring bond data
190: ok 13383 # correct ring bond data
190: ok 13384 # correct ring bond data
190: ok 13385 # correct ring bond data
190: ok 13386 # correct ring bond data
190: ok 13387 # correct ring bond data
190: ok 13388 # correct ring bond data
190: ok 13389 # correct ring bond data
190: ok 13390 # correct ring bond data
190: ok 13391 # correct ring bond data
190: ok 13392 # correct ring bond data
190: ok 13393 # correct ring bond data
190: ok 13394 # correct ring bond data
190: ok 13395 # correct ring bond data
190: ok 13396 # correct ring bond data
190: ok 13397 # correct ring bond data
190: ok 13398 # correct ring bond data
190: ok 13399 # correct ring bond data
190: ok 13400 # correct ring bond data
190: ok 13401 # correct ring bond data
190: ok 13402 # correct ring bond data
190: ok 13403 # SSSR size matches reference
190: ok 13404 # correct SSSR count
190: ok 13405 # ring membership passed
190: ok 13406 # correct SSSR count
190: ok 13407 # ring membership passed
190: ok 13408 # correct SSSR count
190: ok 13409 # ring membership passed
190: ok 13410 # correct SSSR count
190: ok 13411 # ring membership passed
190: ok 13412 # correct SSSR count
190: ok 13413 # ring membership passed
190: ok 13414 # correct SSSR count
190: ok 13415 # ring membership passed
190: ok 13416 # correct SSSR count
190: ok 13417 # ring membership passed
190: ok 13418 # correct SSSR count
190: ok 13419 # ring membership passed
190: ok 13420 # correct SSSR count
190: ok 13421 # ring membership passed
190: ok 13422 # correct SSSR count
190: ok 13423 # ring membership passed
190: ok 13424 # correct SSSR count
190: ok 13425 # ring membership passed
190: ok 13426 # correct SSSR count
190: ok 13427 # ring membership passed
190: ok 13428 # correct SSSR count
190: ok 13429 # ring membership passed
190: ok 13430 # correct SSSR count
190: ok 13431 # ring membership passed
190: ok 13432 # correct SSSR count
190: ok 13433 # ring membership passed
190: ok 13434 # correct SSSR count
190: ok 13435 # ring membership passed
190: ok 13436 # correct SSSR count
190: ok 13437 # ring membership passed
190: ok 13438 # correct SSSR count
190: ok 13439 # ring membership passed
190: ok 13440 # correct SSSR count
190: ok 13441 # ring membership passed
190: ok 13442 # correct SSSR count
190: ok 13443 # ring membership passed
190: ok 13444 # correct SSSR count
190: ok 13445 # ring membership passed
190: ok 13446 # correct SSSR count
190: ok 13447 # ring membership passed
190: ok 13448 # correct SSSR count
190: ok 13449 # ring membership passed
190: ok 13450 # correct SSSR count
190: ok 13451 # ring membership passed
190: ok 13452 # correct SSSR count
190: ok 13453 # ring membership passed
190: ok 13454 # correct SSSR count
190: ok 13455 # ring membership passed
190: ok 13456 # correct SSSR count
190: ok 13457 # ring membership passed
190: ok 13458 # correct SSSR count
190: ok 13459 # ring membership passed
190: ok 13460 # correct SSSR count
190: ok 13461 # ring membership passed
190: ok 13462 # correct SSSR count
190: ok 13463 # ring membership passed
190: ok 13464 # correct SSSR count
190: ok 13465 # ring membership passed
190: ok 13466 # correct SSSR count
190: ok 13467 # ring membership passed
190: ok 13468 # correct SSSR count
190: ok 13469 # ring membership passed
190: ok 13470 # correct SSSR count
190: ok 13471 # ring membership passed
190: ok 13472 # correct SSSR count
190: ok 13473 # ring membership passed
190: ok 13474 # correct SSSR count
190: ok 13475 # ring membership passed
190: ok 13476 # correct SSSR count
190: ok 13477 # ring membership passed
190: ok 13478 # correct SSSR count
190: ok 13479 # ring membership passed
190: ok 13480 # correct SSSR count
190: ok 13481 # ring membership passed
190: ok 13482 # correct SSSR count
190: ok 13483 # ring membership passed
190: ok 13484 # correct SSSR count
190: ok 13485 # ring membership passed
190: ok 13486 # correct ring bond data
190: ok 13487 # correct ring bond data
190: ok 13488 # correct ring bond data
190: ok 13489 # correct ring bond data
190: ok 13490 # correct ring bond data
190: ok 13491 # correct ring bond data
190: ok 13492 # correct ring bond data
190: ok 13493 # correct ring bond data
190: ok 13494 # correct ring bond data
190: ok 13495 # correct ring bond data
190: ok 13496 # correct ring bond data
190: ok 13497 # correct ring bond data
190: ok 13498 # correct ring bond data
190: ok 13499 # correct ring bond data
190: ok 13500 # correct ring bond data
190: ok 13501 # correct ring bond data
190: ok 13502 # correct ring bond data
190: ok 13503 # correct ring bond data
190: ok 13504 # correct ring bond data
190: ok 13505 # correct ring bond data
190: ok 13506 # correct ring bond data
190: ok 13507 # correct ring bond data
190: ok 13508 # correct ring bond data
190: ok 13509 # correct ring bond data
190: ok 13510 # correct ring bond data
190: ok 13511 # correct ring bond data
190: ok 13512 # correct ring bond data
190: ok 13513 # correct ring bond data
190: ok 13514 # correct ring bond data
190: ok 13515 # correct ring bond data
190: ok 13516 # correct ring bond data
190: ok 13517 # correct ring bond data
190: ok 13518 # correct ring bond data
190: ok 13519 # correct ring bond data
190: ok 13520 # correct ring bond data
190: ok 13521 # correct ring bond data
190: ok 13522 # correct ring bond data
190: ok 13523 # correct ring bond data
190: ok 13524 # SSSR size matches reference
190: ok 13525 # correct SSSR count
190: ok 13526 # ring membership passed
190: ok 13527 # correct SSSR count
190: ok 13528 # ring membership passed
190: ok 13529 # correct SSSR count
190: ok 13530 # ring membership passed
190: ok 13531 # correct SSSR count
190: ok 13532 # ring membership passed
190: ok 13533 # correct SSSR count
190: ok 13534 # ring membership passed
190: ok 13535 # correct SSSR count
190: ok 13536 # ring membership passed
190: ok 13537 # correct SSSR count
190: ok 13538 # ring membership passed
190: ok 13539 # correct SSSR count
190: ok 13540 # ring membership passed
190: ok 13541 # correct SSSR count
190: ok 13542 # ring membership passed
190: ok 13543 # correct SSSR count
190: ok 13544 # ring membership passed
190: ok 13545 # correct SSSR count
190: ok 13546 # ring membership passed
190: ok 13547 # correct SSSR count
190: ok 13548 # ring membership passed
190: ok 13549 # correct SSSR count
190: ok 13550 # ring membership passed
190: ok 13551 # correct SSSR count
190: ok 13552 # ring membership passed
190: ok 13553 # correct SSSR count
190: ok 13554 # ring membership passed
190: ok 13555 # correct SSSR count
190: ok 13556 # ring membership passed
190: ok 13557 # correct SSSR count
190: ok 13558 # ring membership passed
190: ok 13559 # correct SSSR count
190: ok 13560 # ring membership passed
190: ok 13561 # correct SSSR count
190: ok 13562 # ring membership passed
190: ok 13563 # correct SSSR count
190: ok 13564 # ring membership passed
190: ok 13565 # correct SSSR count
190: ok 13566 # ring membership passed
190: ok 13567 # correct SSSR count
190: ok 13568 # ring membership passed
190: ok 13569 # correct SSSR count
190: ok 13570 # ring membership passed
190: ok 13571 # correct SSSR count
190: ok 13572 # ring membership passed
190: ok 13573 # correct SSSR count
190: ok 13574 # ring membership passed
190: ok 13575 # correct SSSR count
190: ok 13576 # ring membership passed
190: ok 13577 # correct SSSR count
190: ok 13578 # ring membership passed
190: ok 13579 # correct SSSR count
190: ok 13580 # ring membership passed
190: ok 13581 # correct SSSR count
190: ok 13582 # ring membership passed
190: ok 13583 # correct SSSR count
190: ok 13584 # ring membership passed
190: ok 13585 # correct SSSR count
190: ok 13586 # ring membership passed
190: ok 13587 # correct SSSR count
190: ok 13588 # ring membership passed
190: ok 13589 # correct SSSR count
190: ok 13590 # ring membership passed
190: ok 13591 # correct SSSR count
190: ok 13592 # ring membership passed
190: ok 13593 # correct SSSR count
190: ok 13594 # ring membership passed
190: ok 13595 # correct SSSR count
190: ok 13596 # ring membership passed
190: ok 13597 # correct ring bond data
190: ok 13598 # correct ring bond data
190: ok 13599 # correct ring bond data
190: ok 13600 # correct ring bond data
190: ok 13601 # correct ring bond data
190: ok 13602 # correct ring bond data
190: ok 13603 # correct ring bond data
190: ok 13604 # correct ring bond data
190: ok 13605 # correct ring bond data
190: ok 13606 # correct ring bond data
190: ok 13607 # correct ring bond data
190: ok 13608 # correct ring bond data
190: ok 13609 # correct ring bond data
190: ok 13610 # correct ring bond data
190: ok 13611 # correct ring bond data
190: ok 13612 # correct ring bond data
190: ok 13613 # correct ring bond data
190: ok 13614 # correct ring bond data
190: ok 13615 # correct ring bond data
190: ok 13616 # correct ring bond data
190: ok 13617 # correct ring bond data
190: ok 13618 # correct ring bond data
190: ok 13619 # correct ring bond data
190: ok 13620 # correct ring bond data
190: ok 13621 # correct ring bond data
190: ok 13622 # correct ring bond data
190: ok 13623 # correct ring bond data
190: ok 13624 # correct ring bond data
190: ok 13625 # correct ring bond data
190: ok 13626 # correct ring bond data
190: ok 13627 # correct ring bond data
190: ok 13628 # correct ring bond data
190: ok 13629 # correct ring bond data
190: ok 13630 # correct ring bond data
190: ok 13631 # correct ring bond data
190: ok 13632 # correct ring bond data
190: ok 13633 # correct ring bond data
190: ok 13634 # correct ring bond data
190: ok 13635 # correct ring bond data
190: ok 13636 # correct ring bond data
190: ok 13637 # correct ring bond data
190: ok 13638 # correct ring bond data
190: ok 13639 # correct ring bond data
190: ok 13640 # correct ring bond data
190: ok 13641 # SSSR size matches reference
190: ok 13642 # correct SSSR count
190: ok 13643 # ring membership passed
190: ok 13644 # correct SSSR count
190: ok 13645 # ring membership passed
190: ok 13646 # correct SSSR count
190: ok 13647 # ring membership passed
190: ok 13648 # correct SSSR count
190: ok 13649 # ring membership passed
190: ok 13650 # correct SSSR count
190: ok 13651 # ring membership passed
190: ok 13652 # correct SSSR count
190: ok 13653 # ring membership passed
190: ok 13654 # correct SSSR count
190: ok 13655 # ring membership passed
190: ok 13656 # correct SSSR count
190: ok 13657 # ring membership passed
190: ok 13658 # correct SSSR count
190: ok 13659 # ring membership passed
190: ok 13660 # correct SSSR count
190: ok 13661 # ring membership passed
190: ok 13662 # correct SSSR count
190: ok 13663 # ring membership passed
190: ok 13664 # correct SSSR count
190: ok 13665 # ring membership passed
190: ok 13666 # correct SSSR count
190: ok 13667 # ring membership passed
190: ok 13668 # correct SSSR count
190: ok 13669 # ring membership passed
190: ok 13670 # correct SSSR count
190: ok 13671 # ring membership passed
190: ok 13672 # correct SSSR count
190: ok 13673 # ring membership passed
190: ok 13674 # correct SSSR count
190: ok 13675 # ring membership passed
190: ok 13676 # correct SSSR count
190: ok 13677 # ring membership passed
190: ok 13678 # correct SSSR count
190: ok 13679 # ring membership passed
190: ok 13680 # correct SSSR count
190: ok 13681 # ring membership passed
190: ok 13682 # correct SSSR count
190: ok 13683 # ring membership passed
190: ok 13684 # correct SSSR count
190: ok 13685 # ring membership passed
190: ok 13686 # correct SSSR count
190: ok 13687 # ring membership passed
190: ok 13688 # correct SSSR count
190: ok 13689 # ring membership passed
190: ok 13690 # correct SSSR count
190: ok 13691 # ring membership passed
190: ok 13692 # correct SSSR count
190: ok 13693 # ring membership passed
190: ok 13694 # correct SSSR count
190: ok 13695 # ring membership passed
190: ok 13696 # correct SSSR count
190: ok 13697 # ring membership passed
190: ok 13698 # correct SSSR count
190: ok 13699 # ring membership passed
190: ok 13700 # correct SSSR count
190: ok 13701 # ring membership passed
190: ok 13702 # correct SSSR count
190: ok 13703 # ring membership passed
190: ok 13704 # correct SSSR count
190: ok 13705 # ring membership passed
190: ok 13706 # correct SSSR count
190: ok 13707 # ring membership passed
190: ok 13708 # correct SSSR count
190: ok 13709 # ring membership passed
190: ok 13710 # correct SSSR count
190: ok 13711 # ring membership passed
190: ok 13712 # correct SSSR count
190: ok 13713 # ring membership passed
190: ok 13714 # correct SSSR count
190: ok 13715 # ring membership passed
190: ok 13716 # correct SSSR count
190: ok 13717 # ring membership passed
190: ok 13718 # correct SSSR count
190: ok 13719 # ring membership passed
190: ok 13720 # correct SSSR count
190: ok 13721 # ring membership passed
190: ok 13722 # correct ring bond data
190: ok 13723 # correct ring bond data
190: ok 13724 # correct ring bond data
190: ok 13725 # correct ring bond data
190: ok 13726 # correct ring bond data
190: ok 13727 # correct ring bond data
190: ok 13728 # correct ring bond data
190: ok 13729 # SSSR size matches reference
190: ok 13730 # correct SSSR count
190: ok 13731 # ring membership passed
190: ok 13732 # correct SSSR count
190: ok 13733 # ring membership passed
190: ok 13734 # correct SSSR count
190: ok 13735 # ring membership passed
190: ok 13736 # correct SSSR count
190: ok 13737 # ring membership passed
190: ok 13738 # correct SSSR count
190: ok 13739 # ring membership passed
190: ok 13740 # correct SSSR count
190: ok 13741 # ring membership passed
190: ok 13742 # correct SSSR count
190: ok 13743 # ring membership passed
190: ok 13744 # correct SSSR count
190: ok 13745 # ring membership passed
190: ok 13746 # correct ring bond data
190: ok 13747 # correct ring bond data
190: ok 13748 # correct ring bond data
190: ok 13749 # correct ring bond data
190: ok 13750 # correct ring bond data
190: ok 13751 # correct ring bond data
190: ok 13752 # correct ring bond data
190: ok 13753 # correct ring bond data
190: ok 13754 # correct ring bond data
190: ok 13755 # correct ring bond data
190: ok 13756 # correct ring bond data
190: ok 13757 # correct ring bond data
190: ok 13758 # correct ring bond data
190: ok 13759 # correct ring bond data
190: ok 13760 # correct ring bond data
190: ok 13761 # correct ring bond data
190: ok 13762 # correct ring bond data
190: ok 13763 # SSSR size matches reference
190: ok 13764 # correct SSSR count
190: ok 13765 # ring membership passed
190: ok 13766 # correct SSSR count
190: ok 13767 # ring membership passed
190: ok 13768 # correct SSSR count
190: ok 13769 # ring membership passed
190: ok 13770 # correct SSSR count
190: ok 13771 # ring membership passed
190: ok 13772 # correct SSSR count
190: ok 13773 # ring membership passed
190: ok 13774 # correct SSSR count
190: ok 13775 # ring membership passed
190: ok 13776 # correct SSSR count
190: ok 13777 # ring membership passed
190: ok 13778 # correct SSSR count
190: ok 13779 # ring membership passed
190: ok 13780 # correct SSSR count
190: ok 13781 # ring membership passed
190: ok 13782 # correct SSSR count
190: ok 13783 # ring membership passed
190: ok 13784 # correct SSSR count
190: ok 13785 # ring membership passed
190: ok 13786 # correct SSSR count
190: ok 13787 # ring membership passed
190: ok 13788 # correct SSSR count
190: ok 13789 # ring membership passed
190: ok 13790 # correct SSSR count
190: ok 13791 # ring membership passed
190: ok 13792 # correct SSSR count
190: ok 13793 # ring membership passed
190: ok 13794 # correct SSSR count
190: ok 13795 # ring membership passed
190: ok 13796 # correct ring bond data
190: ok 13797 # correct ring bond data
190: ok 13798 # correct ring bond data
190: ok 13799 # correct ring bond data
190: ok 13800 # correct ring bond data
190: ok 13801 # correct ring bond data
190: ok 13802 # correct ring bond data
190: ok 13803 # correct ring bond data
190: ok 13804 # correct ring bond data
190: ok 13805 # correct ring bond data
190: ok 13806 # SSSR size matches reference
190: ok 13807 # correct SSSR count
190: ok 13808 # ring membership passed
190: ok 13809 # correct SSSR count
190: ok 13810 # ring membership passed
190: ok 13811 # correct SSSR count
190: ok 13812 # ring membership passed
190: ok 13813 # correct SSSR count
190: ok 13814 # ring membership passed
190: ok 13815 # correct SSSR count
190: ok 13816 # ring membership passed
190: ok 13817 # correct SSSR count
190: ok 13818 # ring membership passed
190: ok 13819 # correct SSSR count
190: ok 13820 # ring membership passed
190: ok 13821 # correct SSSR count
190: ok 13822 # ring membership passed
190: ok 13823 # correct SSSR count
190: ok 13824 # ring membership passed
190: ok 13825 # correct SSSR count
190: ok 13826 # ring membership passed
190: ok 13827 # correct ring bond data
190: ok 13828 # correct ring bond data
190: ok 13829 # correct ring bond data
190: ok 13830 # correct ring bond data
190: ok 13831 # correct ring bond data
190: ok 13832 # correct ring bond data
190: ok 13833 # correct ring bond data
190: ok 13834 # correct ring bond data
190: ok 13835 # correct ring bond data
190: ok 13836 # correct ring bond data
190: ok 13837 # correct ring bond data
190: ok 13838 # correct ring bond data
190: ok 13839 # correct ring bond data
190: ok 13840 # correct ring bond data
190: ok 13841 # correct ring bond data
190: ok 13842 # correct ring bond data
190: ok 13843 # correct ring bond data
190: ok 13844 # SSSR size matches reference
190: ok 13845 # correct SSSR count
190: ok 13846 # ring membership passed
190: ok 13847 # correct SSSR count
190: ok 13848 # ring membership passed
190: ok 13849 # correct SSSR count
190: ok 13850 # ring membership passed
190: ok 13851 # correct SSSR count
190: ok 13852 # ring membership passed
190: ok 13853 # correct SSSR count
190: ok 13854 # ring membership passed
190: ok 13855 # correct SSSR count
190: ok 13856 # ring membership passed
190: ok 13857 # correct SSSR count
190: ok 13858 # ring membership passed
190: ok 13859 # correct SSSR count
190: ok 13860 # ring membership passed
190: ok 13861 # correct SSSR count
190: ok 13862 # ring membership passed
190: ok 13863 # correct SSSR count
190: ok 13864 # ring membership passed
190: ok 13865 # correct SSSR count
190: ok 13866 # ring membership passed
190: ok 13867 # correct SSSR count
190: ok 13868 # ring membership passed
190: ok 13869 # correct SSSR count
190: ok 13870 # ring membership passed
190: ok 13871 # correct SSSR count
190: ok 13872 # ring membership passed
190: ok 13873 # correct SSSR count
190: ok 13874 # ring membership passed
190: ok 13875 # correct SSSR count
190: ok 13876 # ring membership passed
190: ok 13877 # correct ring bond data
190: ok 13878 # correct ring bond data
190: ok 13879 # correct ring bond data
190: ok 13880 # correct ring bond data
190: ok 13881 # correct ring bond data
190: ok 13882 # correct ring bond data
190: ok 13883 # correct ring bond data
190: ok 13884 # correct ring bond data
190: ok 13885 # correct ring bond data
190: ok 13886 # correct ring bond data
190: ok 13887 # correct ring bond data
190: ok 13888 # correct ring bond data
190: ok 13889 # correct ring bond data
190: ok 13890 # correct ring bond data
190: ok 13891 # correct ring bond data
190: ok 13892 # correct ring bond data
190: ok 13893 # correct ring bond data
190: ok 13894 # correct ring bond data
190: ok 13895 # correct ring bond data
190: ok 13896 # correct ring bond data
190: ok 13897 # correct ring bond data
190: ok 13898 # SSSR size matches reference
190: ok 13899 # correct SSSR count
190: ok 13900 # ring membership passed
190: ok 13901 # correct SSSR count
190: ok 13902 # ring membership passed
190: ok 13903 # correct SSSR count
190: ok 13904 # ring membership passed
190: ok 13905 # correct SSSR count
190: ok 13906 # ring membership passed
190: ok 13907 # correct SSSR count
190: ok 13908 # ring membership passed
190: ok 13909 # correct SSSR count
190: ok 13910 # ring membership passed
190: ok 13911 # correct SSSR count
190: ok 13912 # ring membership passed
190: ok 13913 # correct SSSR count
190: ok 13914 # ring membership passed
190: ok 13915 # correct SSSR count
190: ok 13916 # ring membership passed
190: ok 13917 # correct SSSR count
190: ok 13918 # ring membership passed
190: ok 13919 # correct SSSR count
190: ok 13920 # ring membership passed
190: ok 13921 # correct SSSR count
190: ok 13922 # ring membership passed
190: ok 13923 # correct SSSR count
190: ok 13924 # ring membership passed
190: ok 13925 # correct SSSR count
190: ok 13926 # ring membership passed
190: ok 13927 # correct SSSR count
190: ok 13928 # ring membership passed
190: ok 13929 # correct SSSR count
190: ok 13930 # ring membership passed
190: ok 13931 # correct SSSR count
190: ok 13932 # ring membership passed
190: ok 13933 # correct SSSR count
190: ok 13934 # ring membership passed
190: ok 13935 # correct SSSR count
190: ok 13936 # ring membership passed
190: ok 13937 # correct ring bond data
190: ok 13938 # correct ring bond data
190: ok 13939 # correct ring bond data
190: ok 13940 # correct ring bond data
190: ok 13941 # correct ring bond data
190: ok 13942 # correct ring bond data
190: ok 13943 # correct ring bond data
190: ok 13944 # correct ring bond data
190: ok 13945 # correct ring bond data
190: ok 13946 # correct ring bond data
190: ok 13947 # correct ring bond data
190: ok 13948 # correct ring bond data
190: ok 13949 # correct ring bond data
190: ok 13950 # correct ring bond data
190: ok 13951 # correct ring bond data
190: ok 13952 # SSSR size matches reference
190: ok 13953 # correct SSSR count
190: ok 13954 # ring membership passed
190: ok 13955 # correct SSSR count
190: ok 13956 # ring membership passed
190: ok 13957 # correct SSSR count
190: ok 13958 # ring membership passed
190: ok 13959 # correct SSSR count
190: ok 13960 # ring membership passed
190: ok 13961 # correct SSSR count
190: ok 13962 # ring membership passed
190: ok 13963 # correct SSSR count
190: ok 13964 # ring membership passed
190: ok 13965 # correct SSSR count
190: ok 13966 # ring membership passed
190: ok 13967 # correct SSSR count
190: ok 13968 # ring membership passed
190: ok 13969 # correct SSSR count
190: ok 13970 # ring membership passed
190: ok 13971 # correct SSSR count
190: ok 13972 # ring membership passed
190: ok 13973 # correct SSSR count
190: ok 13974 # ring membership passed
190: ok 13975 # correct SSSR count
190: ok 13976 # ring membership passed
190: ok 13977 # correct SSSR count
190: ok 13978 # ring membership passed
190: ok 13979 # correct SSSR count
190: ok 13980 # ring membership passed
190: ok 13981 # correct ring bond data
190: ok 13982 # correct ring bond data
190: ok 13983 # correct ring bond data
190: ok 13984 # correct ring bond data
190: ok 13985 # correct ring bond data
190: ok 13986 # correct ring bond data
190: ok 13987 # correct ring bond data
190: ok 13988 # correct ring bond data
190: ok 13989 # correct ring bond data
190: ok 13990 # correct ring bond data
190: ok 13991 # correct ring bond data
190: ok 13992 # SSSR size matches reference
190: ok 13993 # correct SSSR count
190: ok 13994 # ring membership passed
190: ok 13995 # correct SSSR count
190: ok 13996 # ring membership passed
190: ok 13997 # correct SSSR count
190: ok 13998 # ring membership passed
190: ok 13999 # correct SSSR count
190: ok 14000 # ring membership passed
190: ok 14001 # correct SSSR count
190: ok 14002 # ring membership passed
190: ok 14003 # correct SSSR count
190: ok 14004 # ring membership passed
190: ok 14005 # correct SSSR count
190: ok 14006 # ring membership passed
190: ok 14007 # correct SSSR count
190: ok 14008 # ring membership passed
190: ok 14009 # correct SSSR count
190: ok 14010 # ring membership passed
190: ok 14011 # correct SSSR count
190: ok 14012 # ring membership passed
190: ok 14013 # correct SSSR count
190: ok 14014 # ring membership passed
190: ok 14015 # correct ring bond data
190: ok 14016 # correct ring bond data
190: ok 14017 # correct ring bond data
190: ok 14018 # correct ring bond data
190: ok 14019 # correct ring bond data
190: ok 14020 # correct ring bond data
190: ok 14021 # correct ring bond data
190: ok 14022 # correct ring bond data
190: ok 14023 # correct ring bond data
190: ok 14024 # correct ring bond data
190: ok 14025 # correct ring bond data
190: ok 14026 # correct ring bond data
190: ok 14027 # correct ring bond data
190: ok 14028 # correct ring bond data
190: ok 14029 # correct ring bond data
190: ok 14030 # correct ring bond data
190: ok 14031 # correct ring bond data
190: ok 14032 # correct ring bond data
190: ok 14033 # correct ring bond data
190: ok 14034 # correct ring bond data
190: ok 14035 # correct ring bond data
190: ok 14036 # correct ring bond data
190: ok 14037 # SSSR size matches reference
190: ok 14038 # correct SSSR count
190: ok 14039 # ring membership passed
190: ok 14040 # correct SSSR count
190: ok 14041 # ring membership passed
190: ok 14042 # correct SSSR count
190: ok 14043 # ring membership passed
190: ok 14044 # correct SSSR count
190: ok 14045 # ring membership passed
190: ok 14046 # correct SSSR count
190: ok 14047 # ring membership passed
190: ok 14048 # correct SSSR count
190: ok 14049 # ring membership passed
190: ok 14050 # correct SSSR count
190: ok 14051 # ring membership passed
190: ok 14052 # correct SSSR count
190: ok 14053 # ring membership passed
190: ok 14054 # correct SSSR count
190: ok 14055 # ring membership passed
190: ok 14056 # correct SSSR count
190: ok 14057 # ring membership passed
190: ok 14058 # correct SSSR count
190: ok 14059 # ring membership passed
190: ok 14060 # correct SSSR count
190: ok 14061 # ring membership passed
190: ok 14062 # correct SSSR count
190: ok 14063 # ring membership passed
190: ok 14064 # correct SSSR count
190: ok 14065 # ring membership passed
190: ok 14066 # correct SSSR count
190: ok 14067 # ring membership passed
190: ok 14068 # correct SSSR count
190: ok 14069 # ring membership passed
190: ok 14070 # correct SSSR count
190: ok 14071 # ring membership passed
190: ok 14072 # correct SSSR count
190: ok 14073 # ring membership passed
190: ok 14074 # correct SSSR count
190: ok 14075 # ring membership passed
190: ok 14076 # correct ring bond data
190: ok 14077 # correct ring bond data
190: ok 14078 # correct ring bond data
190: ok 14079 # correct ring bond data
190: ok 14080 # correct ring bond data
190: ok 14081 # correct ring bond data
190: ok 14082 # correct ring bond data
190: ok 14083 # correct ring bond data
190: ok 14084 # correct ring bond data
190: ok 14085 # correct ring bond data
190: ok 14086 # correct ring bond data
190: ok 14087 # correct ring bond data
190: ok 14088 # correct ring bond data
190: ok 14089 # correct ring bond data
190: ok 14090 # correct ring bond data
190: ok 14091 # correct ring bond data
190: ok 14092 # correct ring bond data
190: ok 14093 # correct ring bond data
190: ok 14094 # correct ring bond data
190: ok 14095 # correct ring bond data
190: ok 14096 # correct ring bond data
190: ok 14097 # correct ring bond data
190: ok 14098 # correct ring bond data
190: ok 14099 # correct ring bond data
190: ok 14100 # correct ring bond data
190: ok 14101 # correct ring bond data
190: ok 14102 # correct ring bond data
190: ok 14103 # correct ring bond data
190: ok 14104 # correct ring bond data
190: ok 14105 # correct ring bond data
190: ok 14106 # correct ring bond data
190: ok 14107 # SSSR size matches reference
190: ok 14108 # correct SSSR count
190: ok 14109 # ring membership passed
190: ok 14110 # correct SSSR count
190: ok 14111 # ring membership passed
190: ok 14112 # correct SSSR count
190: ok 14113 # ring membership passed
190: ok 14114 # correct SSSR count
190: ok 14115 # ring membership passed
190: ok 14116 # correct SSSR count
190: ok 14117 # ring membership passed
190: ok 14118 # correct SSSR count
190: ok 14119 # ring membership passed
190: ok 14120 # correct SSSR count
190: ok 14121 # ring membership passed
190: ok 14122 # correct SSSR count
190: ok 14123 # ring membership passed
190: ok 14124 # correct SSSR count
190: ok 14125 # ring membership passed
190: ok 14126 # correct SSSR count
190: ok 14127 # ring membership passed
190: ok 14128 # correct SSSR count
190: ok 14129 # ring membership passed
190: ok 14130 # correct SSSR count
190: ok 14131 # ring membership passed
190: ok 14132 # correct SSSR count
190: ok 14133 # ring membership passed
190: ok 14134 # correct SSSR count
190: ok 14135 # ring membership passed
190: ok 14136 # correct SSSR count
190: ok 14137 # ring membership passed
190: ok 14138 # correct SSSR count
190: ok 14139 # ring membership passed
190: ok 14140 # correct SSSR count
190: ok 14141 # ring membership passed
190: ok 14142 # correct SSSR count
190: ok 14143 # ring membership passed
190: ok 14144 # correct SSSR count
190: ok 14145 # ring membership passed
190: ok 14146 # correct SSSR count
190: ok 14147 # ring membership passed
190: ok 14148 # correct SSSR count
190: ok 14149 # ring membership passed
190: ok 14150 # correct SSSR count
190: ok 14151 # ring membership passed
190: ok 14152 # correct SSSR count
190: ok 14153 # ring membership passed
190: ok 14154 # correct SSSR count
190: ok 14155 # ring membership passed
190: ok 14156 # correct SSSR count
190: ok 14157 # ring membership passed
190: ok 14158 # correct SSSR count
190: ok 14159 # ring membership passed
190: ok 14160 # correct SSSR count
190: ok 14161 # ring membership passed
190: ok 14162 # correct SSSR count
190: ok 14163 # ring membership passed
190: ok 14164 # correct ring bond data
190: ok 14165 # correct ring bond data
190: ok 14166 # correct ring bond data
190: ok 14167 # correct ring bond data
190: ok 14168 # correct ring bond data
190: ok 14169 # correct ring bond data
190: ok 14170 # correct ring bond data
190: ok 14171 # correct ring bond data
190: ok 14172 # correct ring bond data
190: ok 14173 # correct ring bond data
190: ok 14174 # correct ring bond data
190: ok 14175 # correct ring bond data
190: ok 14176 # correct ring bond data
190: ok 14177 # correct ring bond data
190: ok 14178 # correct ring bond data
190: ok 14179 # correct ring bond data
190: ok 14180 # correct ring bond data
190: ok 14181 # correct ring bond data
190: ok 14182 # correct ring bond data
190: ok 14183 # correct ring bond data
190: ok 14184 # correct ring bond data
190: ok 14185 # correct ring bond data
190: ok 14186 # correct ring bond data
190: ok 14187 # SSSR size matches reference
190: ok 14188 # correct SSSR count
190: ok 14189 # ring membership passed
190: ok 14190 # correct SSSR count
190: ok 14191 # ring membership passed
190: ok 14192 # correct SSSR count
190: ok 14193 # ring membership passed
190: ok 14194 # correct SSSR count
190: ok 14195 # ring membership passed
190: ok 14196 # correct SSSR count
190: ok 14197 # ring membership passed
190: ok 14198 # correct SSSR count
190: ok 14199 # ring membership passed
190: ok 14200 # correct SSSR count
190: ok 14201 # ring membership passed
190: ok 14202 # correct SSSR count
190: ok 14203 # ring membership passed
190: ok 14204 # correct SSSR count
190: ok 14205 # ring membership passed
190: ok 14206 # correct SSSR count
190: ok 14207 # ring membership passed
190: ok 14208 # correct SSSR count
190: ok 14209 # ring membership passed
190: ok 14210 # correct SSSR count
190: ok 14211 # ring membership passed
190: ok 14212 # correct SSSR count
190: ok 14213 # ring membership passed
190: ok 14214 # correct SSSR count
190: ok 14215 # ring membership passed
190: ok 14216 # correct SSSR count
190: ok 14217 # ring membership passed
190: ok 14218 # correct SSSR count
190: ok 14219 # ring membership passed
190: ok 14220 # correct SSSR count
190: ok 14221 # ring membership passed
190: ok 14222 # correct SSSR count
190: ok 14223 # ring membership passed
190: ok 14224 # correct SSSR count
190: ok 14225 # ring membership passed
190: ok 14226 # correct SSSR count
190: ok 14227 # ring membership passed
190: ok 14228 # correct SSSR count
190: ok 14229 # ring membership passed
190: ok 14230 # correct SSSR count
190: ok 14231 # ring membership passed
190: ok 14232 # correct ring bond data
190: ok 14233 # correct ring bond data
190: ok 14234 # correct ring bond data
190: ok 14235 # correct ring bond data
190: ok 14236 # correct ring bond data
190: ok 14237 # correct ring bond data
190: ok 14238 # correct ring bond data
190: ok 14239 # correct ring bond data
190: ok 14240 # correct ring bond data
190: ok 14241 # correct ring bond data
190: ok 14242 # correct ring bond data
190: ok 14243 # correct ring bond data
190: ok 14244 # correct ring bond data
190: ok 14245 # correct ring bond data
190: ok 14246 # correct ring bond data
190: ok 14247 # correct ring bond data
190: ok 14248 # SSSR size matches reference
190: ok 14249 # correct SSSR count
190: ok 14250 # ring membership passed
190: ok 14251 # correct SSSR count
190: ok 14252 # ring membership passed
190: ok 14253 # correct SSSR count
190: ok 14254 # ring membership passed
190: ok 14255 # correct SSSR count
190: ok 14256 # ring membership passed
190: ok 14257 # correct SSSR count
190: ok 14258 # ring membership passed
190: ok 14259 # correct SSSR count
190: ok 14260 # ring membership passed
190: ok 14261 # correct SSSR count
190: ok 14262 # ring membership passed
190: ok 14263 # correct SSSR count
190: ok 14264 # ring membership passed
190: ok 14265 # correct SSSR count
190: ok 14266 # ring membership passed
190: ok 14267 # correct SSSR count
190: ok 14268 # ring membership passed
190: ok 14269 # correct SSSR count
190: ok 14270 # ring membership passed
190: ok 14271 # correct SSSR count
190: ok 14272 # ring membership passed
190: ok 14273 # correct SSSR count
190: ok 14274 # ring membership passed
190: ok 14275 # correct SSSR count
190: ok 14276 # ring membership passed
190: ok 14277 # correct SSSR count
190: ok 14278 # ring membership passed
190: ok 14279 # correct ring bond data
190: ok 14280 # correct ring bond data
190: ok 14281 # correct ring bond data
190: ok 14282 # correct ring bond data
190: ok 14283 # correct ring bond data
190: ok 14284 # correct ring bond data
190: ok 14285 # correct ring bond data
190: ok 14286 # correct ring bond data
190: ok 14287 # correct ring bond data
190: ok 14288 # correct ring bond data
190: ok 14289 # correct ring bond data
190: ok 14290 # correct ring bond data
190: ok 14291 # correct ring bond data
190: ok 14292 # correct ring bond data
190: ok 14293 # correct ring bond data
190: ok 14294 # correct ring bond data
190: ok 14295 # correct ring bond data
190: ok 14296 # correct ring bond data
190: ok 14297 # correct ring bond data
190: ok 14298 # correct ring bond data
190: ok 14299 # correct ring bond data
190: ok 14300 # correct ring bond data
190: ok 14301 # correct ring bond data
190: ok 14302 # correct ring bond data
190: ok 14303 # correct ring bond data
190: ok 14304 # correct ring bond data
190: ok 14305 # correct ring bond data
190: ok 14306 # correct ring bond data
190: ok 14307 # correct ring bond data
190: ok 14308 # correct ring bond data
190: ok 14309 # correct ring bond data
190: ok 14310 # correct ring bond data
190: ok 14311 # correct ring bond data
190: ok 14312 # correct ring bond data
190: ok 14313 # correct ring bond data
190: ok 14314 # correct ring bond data
190: ok 14315 # correct ring bond data
190: ok 14316 # correct ring bond data
190: ok 14317 # correct ring bond data
190: ok 14318 # correct ring bond data
190: ok 14319 # correct ring bond data
190: ok 14320 # correct ring bond data
190: ok 14321 # correct ring bond data
190: ok 14322 # correct ring bond data
190: ok 14323 # correct ring bond data
190: ok 14324 # correct ring bond data
190: ok 14325 # correct ring bond data
190: ok 14326 # SSSR size matches reference
190: ok 14327 # correct SSSR count
190: ok 14328 # ring membership passed
190: ok 14329 # correct SSSR count
190: ok 14330 # ring membership passed
190: ok 14331 # correct SSSR count
190: ok 14332 # ring membership passed
190: ok 14333 # correct SSSR count
190: ok 14334 # ring membership passed
190: ok 14335 # correct SSSR count
190: ok 14336 # ring membership passed
190: ok 14337 # correct SSSR count
190: ok 14338 # ring membership passed
190: ok 14339 # correct SSSR count
190: ok 14340 # ring membership passed
190: ok 14341 # correct SSSR count
190: ok 14342 # ring membership passed
190: ok 14343 # correct SSSR count
190: ok 14344 # ring membership passed
190: ok 14345 # correct SSSR count
190: ok 14346 # ring membership passed
190: ok 14347 # correct SSSR count
190: ok 14348 # ring membership passed
190: ok 14349 # correct SSSR count
190: ok 14350 # ring membership passed
190: ok 14351 # correct SSSR count
190: ok 14352 # ring membership passed
190: ok 14353 # correct SSSR count
190: ok 14354 # ring membership passed
190: ok 14355 # correct SSSR count
190: ok 14356 # ring membership passed
190: ok 14357 # correct SSSR count
190: ok 14358 # ring membership passed
190: ok 14359 # correct SSSR count
190: ok 14360 # ring membership passed
190: ok 14361 # correct SSSR count
190: ok 14362 # ring membership passed
190: ok 14363 # correct SSSR count
190: ok 14364 # ring membership passed
190: ok 14365 # correct SSSR count
190: ok 14366 # ring membership passed
190: ok 14367 # correct SSSR count
190: ok 14368 # ring membership passed
190: ok 14369 # correct SSSR count
190: ok 14370 # ring membership passed
190: ok 14371 # correct SSSR count
190: ok 14372 # ring membership passed
190: ok 14373 # correct SSSR count
190: ok 14374 # ring membership passed
190: ok 14375 # correct SSSR count
190: ok 14376 # ring membership passed
190: ok 14377 # correct SSSR count
190: ok 14378 # ring membership passed
190: ok 14379 # correct SSSR count
190: ok 14380 # ring membership passed
190: ok 14381 # correct SSSR count
190: ok 14382 # ring membership passed
190: ok 14383 # correct SSSR count
190: ok 14384 # ring membership passed
190: ok 14385 # correct SSSR count
190: ok 14386 # ring membership passed
190: ok 14387 # correct SSSR count
190: ok 14388 # ring membership passed
190: ok 14389 # correct SSSR count
190: ok 14390 # ring membership passed
190: ok 14391 # correct SSSR count
190: ok 14392 # ring membership passed
190: ok 14393 # correct SSSR count
190: ok 14394 # ring membership passed
190: ok 14395 # correct SSSR count
190: ok 14396 # ring membership passed
190: ok 14397 # correct SSSR count
190: ok 14398 # ring membership passed
190: ok 14399 # correct SSSR count
190: ok 14400 # ring membership passed
190: ok 14401 # correct SSSR count
190: ok 14402 # ring membership passed
190: ok 14403 # correct SSSR count
190: ok 14404 # ring membership passed
190: ok 14405 # correct SSSR count
190: ok 14406 # ring membership passed
190: ok 14407 # correct SSSR count
190: ok 14408 # ring membership passed
190: ok 14409 # correct SSSR count
190: ok 14410 # ring membership passed
190: ok 14411 # correct SSSR count
190: ok 14412 # ring membership passed
190: ok 14413 # correct SSSR count
190: ok 14414 # ring membership passed
190: ok 14415 # correct SSSR count
190: ok 14416 # ring membership passed
190: ok 14417 # correct ring bond data
190: ok 14418 # correct ring bond data
190: ok 14419 # correct ring bond data
190: ok 14420 # correct ring bond data
190: ok 14421 # correct ring bond data
190: ok 14422 # correct ring bond data
190: ok 14423 # correct ring bond data
190: ok 14424 # correct ring bond data
190: ok 14425 # correct ring bond data
190: ok 14426 # correct ring bond data
190: ok 14427 # correct ring bond data
190: ok 14428 # correct ring bond data
190: ok 14429 # correct ring bond data
190: ok 14430 # correct ring bond data
190: ok 14431 # correct ring bond data
190: ok 14432 # correct ring bond data
190: ok 14433 # correct ring bond data
190: ok 14434 # correct ring bond data
190: ok 14435 # correct ring bond data
190: ok 14436 # correct ring bond data
190: ok 14437 # correct ring bond data
190: ok 14438 # correct ring bond data
190: ok 14439 # correct ring bond data
190: ok 14440 # correct ring bond data
190: ok 14441 # correct ring bond data
190: ok 14442 # correct ring bond data
190: ok 14443 # correct ring bond data
190: ok 14444 # correct ring bond data
190: ok 14445 # correct ring bond data
190: ok 14446 # correct ring bond data
190: ok 14447 # correct ring bond data
190: ok 14448 # correct ring bond data
190: ok 14449 # correct ring bond data
190: ok 14450 # correct ring bond data
190: ok 14451 # correct ring bond data
190: ok 14452 # correct ring bond data
190: ok 14453 # correct ring bond data
190: ok 14454 # SSSR size matches reference
190: ok 14455 # correct SSSR count
190: ok 14456 # ring membership passed
190: ok 14457 # correct SSSR count
190: ok 14458 # ring membership passed
190: ok 14459 # correct SSSR count
190: ok 14460 # ring membership passed
190: ok 14461 # correct SSSR count
190: ok 14462 # ring membership passed
190: ok 14463 # correct SSSR count
190: ok 14464 # ring membership passed
190: ok 14465 # correct SSSR count
190: ok 14466 # ring membership passed
190: ok 14467 # correct SSSR count
190: ok 14468 # ring membership passed
190: ok 14469 # correct SSSR count
190: ok 14470 # ring membership passed
190: ok 14471 # correct SSSR count
190: ok 14472 # ring membership passed
190: ok 14473 # correct SSSR count
190: ok 14474 # ring membership passed
190: ok 14475 # correct SSSR count
190: ok 14476 # ring membership passed
190: ok 14477 # correct SSSR count
190: ok 14478 # ring membership passed
190: ok 14479 # correct SSSR count
190: ok 14480 # ring membership passed
190: ok 14481 # correct SSSR count
190: ok 14482 # ring membership passed
190: ok 14483 # correct SSSR count
190: ok 14484 # ring membership passed
190: ok 14485 # correct SSSR count
190: ok 14486 # ring membership passed
190: ok 14487 # correct SSSR count
190: ok 14488 # ring membership passed
190: ok 14489 # correct SSSR count
190: ok 14490 # ring membership passed
190: ok 14491 # correct SSSR count
190: ok 14492 # ring membership passed
190: ok 14493 # correct SSSR count
190: ok 14494 # ring membership passed
190: ok 14495 # correct SSSR count
190: ok 14496 # ring membership passed
190: ok 14497 # correct SSSR count
190: ok 14498 # ring membership passed
190: ok 14499 # correct SSSR count
190: ok 14500 # ring membership passed
190: ok 14501 # correct SSSR count
190: ok 14502 # ring membership passed
190: ok 14503 # correct SSSR count
190: ok 14504 # ring membership passed
190: ok 14505 # correct SSSR count
190: ok 14506 # ring membership passed
190: ok 14507 # correct SSSR count
190: ok 14508 # ring membership passed
190: ok 14509 # correct SSSR count
190: ok 14510 # ring membership passed
190: ok 14511 # correct SSSR count
190: ok 14512 # ring membership passed
190: ok 14513 # correct SSSR count
190: ok 14514 # ring membership passed
190: ok 14515 # correct SSSR count
190: ok 14516 # ring membership passed
190: ok 14517 # correct SSSR count
190: ok 14518 # ring membership passed
190: ok 14519 # correct SSSR count
190: ok 14520 # ring membership passed
190: ok 14521 # correct ring bond data
190: ok 14522 # correct ring bond data
190: ok 14523 # correct ring bond data
190: ok 14524 # correct ring bond data
190: ok 14525 # correct ring bond data
190: ok 14526 # correct ring bond data
190: ok 14527 # correct ring bond data
190: ok 14528 # correct ring bond data
190: ok 14529 # correct ring bond data
190: ok 14530 # correct ring bond data
190: ok 14531 # correct ring bond data
190: ok 14532 # correct ring bond data
190: ok 14533 # correct ring bond data
190: ok 14534 # correct ring bond data
190: ok 14535 # correct ring bond data
190: ok 14536 # correct ring bond data
190: ok 14537 # correct ring bond data
190: ok 14538 # correct ring bond data
190: ok 14539 # correct ring bond data
190: ok 14540 # correct ring bond data
190: ok 14541 # correct ring bond data
190: ok 14542 # correct ring bond data
190: ok 14543 # correct ring bond data
190: ok 14544 # correct ring bond data
190: ok 14545 # correct ring bond data
190: ok 14546 # correct ring bond data
190: ok 14547 # SSSR size matches reference
190: ok 14548 # correct SSSR count
190: ok 14549 # ring membership passed
190: ok 14550 # correct SSSR count
190: ok 14551 # ring membership passed
190: ok 14552 # correct SSSR count
190: ok 14553 # ring membership passed
190: ok 14554 # correct SSSR count
190: ok 14555 # ring membership passed
190: ok 14556 # correct SSSR count
190: ok 14557 # ring membership passed
190: ok 14558 # correct SSSR count
190: ok 14559 # ring membership passed
190: ok 14560 # correct SSSR count
190: ok 14561 # ring membership passed
190: ok 14562 # correct SSSR count
190: ok 14563 # ring membership passed
190: ok 14564 # correct SSSR count
190: ok 14565 # ring membership passed
190: ok 14566 # correct SSSR count
190: ok 14567 # ring membership passed
190: ok 14568 # correct SSSR count
190: ok 14569 # ring membership passed
190: ok 14570 # correct SSSR count
190: ok 14571 # ring membership passed
190: ok 14572 # correct SSSR count
190: ok 14573 # ring membership passed
190: ok 14574 # correct SSSR count
190: ok 14575 # ring membership passed
190: ok 14576 # correct SSSR count
190: ok 14577 # ring membership passed
190: ok 14578 # correct SSSR count
190: ok 14579 # ring membership passed
190: ok 14580 # correct SSSR count
190: ok 14581 # ring membership passed
190: ok 14582 # correct SSSR count
190: ok 14583 # ring membership passed
190: ok 14584 # correct SSSR count
190: ok 14585 # ring membership passed
190: ok 14586 # correct SSSR count
190: ok 14587 # ring membership passed
190: ok 14588 # correct SSSR count
190: ok 14589 # ring membership passed
190: ok 14590 # correct SSSR count
190: ok 14591 # ring membership passed
190: ok 14592 # correct SSSR count
190: ok 14593 # ring membership passed
190: ok 14594 # correct SSSR count
190: ok 14595 # ring membership passed
190: ok 14596 # correct SSSR count
190: ok 14597 # ring membership passed
190: ok 14598 # correct SSSR count
190: ok 14599 # ring membership passed
190: ok 14600 # correct ring bond data
190: ok 14601 # correct ring bond data
190: ok 14602 # correct ring bond data
190: ok 14603 # correct ring bond data
190: ok 14604 # correct ring bond data
190: ok 14605 # correct ring bond data
190: ok 14606 # correct ring bond data
190: ok 14607 # correct ring bond data
190: ok 14608 # correct ring bond data
190: ok 14609 # correct ring bond data
190: ok 14610 # correct ring bond data
190: ok 14611 # correct ring bond data
190: ok 14612 # correct ring bond data
190: ok 14613 # correct ring bond data
190: ok 14614 # correct ring bond data
190: ok 14615 # correct ring bond data
190: ok 14616 # correct ring bond data
190: ok 14617 # correct ring bond data
190: ok 14618 # correct ring bond data
190: ok 14619 # correct ring bond data
190: ok 14620 # correct ring bond data
190: ok 14621 # correct ring bond data
190: ok 14622 # correct ring bond data
190: ok 14623 # correct ring bond data
190: ok 14624 # correct ring bond data
190: ok 14625 # correct ring bond data
190: ok 14626 # correct ring bond data
190: ok 14627 # correct ring bond data
190: ok 14628 # correct ring bond data
190: ok 14629 # correct ring bond data
190: ok 14630 # correct ring bond data
190: ok 14631 # correct ring bond data
190: ok 14632 # correct ring bond data
190: ok 14633 # correct ring bond data
190: ok 14634 # correct ring bond data
190: ok 14635 # correct ring bond data
190: ok 14636 # correct ring bond data
190: ok 14637 # correct ring bond data
190: ok 14638 # correct ring bond data
190: ok 14639 # correct ring bond data
190: ok 14640 # correct ring bond data
190: ok 14641 # correct ring bond data
190: ok 14642 # SSSR size matches reference
190: ok 14643 # correct SSSR count
190: ok 14644 # ring membership passed
190: ok 14645 # correct SSSR count
190: ok 14646 # ring membership passed
190: ok 14647 # correct SSSR count
190: ok 14648 # ring membership passed
190: ok 14649 # correct SSSR count
190: ok 14650 # ring membership passed
190: ok 14651 # correct SSSR count
190: ok 14652 # ring membership passed
190: ok 14653 # correct SSSR count
190: ok 14654 # ring membership passed
190: ok 14655 # correct SSSR count
190: ok 14656 # ring membership passed
190: ok 14657 # correct SSSR count
190: ok 14658 # ring membership passed
190: ok 14659 # correct SSSR count
190: ok 14660 # ring membership passed
190: ok 14661 # correct SSSR count
190: ok 14662 # ring membership passed
190: ok 14663 # correct SSSR count
190: ok 14664 # ring membership passed
190: ok 14665 # correct SSSR count
190: ok 14666 # ring membership passed
190: ok 14667 # correct SSSR count
190: ok 14668 # ring membership passed
190: ok 14669 # correct SSSR count
190: ok 14670 # ring membership passed
190: ok 14671 # correct SSSR count
190: ok 14672 # ring membership passed
190: ok 14673 # correct SSSR count
190: ok 14674 # ring membership passed
190: ok 14675 # correct SSSR count
190: ok 14676 # ring membership passed
190: ok 14677 # correct SSSR count
190: ok 14678 # ring membership passed
190: ok 14679 # correct SSSR count
190: ok 14680 # ring membership passed
190: ok 14681 # correct SSSR count
190: ok 14682 # ring membership passed
190: ok 14683 # correct SSSR count
190: ok 14684 # ring membership passed
190: ok 14685 # correct SSSR count
190: ok 14686 # ring membership passed
190: ok 14687 # correct SSSR count
190: ok 14688 # ring membership passed
190: ok 14689 # correct SSSR count
190: ok 14690 # ring membership passed
190: ok 14691 # correct SSSR count
190: ok 14692 # ring membership passed
190: ok 14693 # correct SSSR count
190: ok 14694 # ring membership passed
190: ok 14695 # correct SSSR count
190: ok 14696 # ring membership passed
190: ok 14697 # correct SSSR count
190: ok 14698 # ring membership passed
190: ok 14699 # correct SSSR count
190: ok 14700 # ring membership passed
190: ok 14701 # correct SSSR count
190: ok 14702 # ring membership passed
190: ok 14703 # correct SSSR count
190: ok 14704 # ring membership passed
190: ok 14705 # correct SSSR count
190: ok 14706 # ring membership passed
190: ok 14707 # correct SSSR count
190: ok 14708 # ring membership passed
190: ok 14709 # correct SSSR count
190: ok 14710 # ring membership passed
190: ok 14711 # correct SSSR count
190: ok 14712 # ring membership passed
190: ok 14713 # correct SSSR count
190: ok 14714 # ring membership passed
190: ok 14715 # correct SSSR count
190: ok 14716 # ring membership passed
190: ok 14717 # correct SSSR count
190: ok 14718 # ring membership passed
190: ok 14719 # correct SSSR count
190: ok 14720 # ring membership passed
190: ok 14721 # correct SSSR count
190: ok 14722 # ring membership passed
190: ok 14723 # correct SSSR count
190: ok 14724 # ring membership passed
190: ok 14725 # correct ring bond data
190: ok 14726 # correct ring bond data
190: ok 14727 # correct ring bond data
190: ok 14728 # correct ring bond data
190: ok 14729 # correct ring bond data
190: ok 14730 # correct ring bond data
190: ok 14731 # correct ring bond data
190: ok 14732 # correct ring bond data
190: ok 14733 # correct ring bond data
190: ok 14734 # correct ring bond data
190: ok 14735 # correct ring bond data
190: ok 14736 # correct ring bond data
190: ok 14737 # correct ring bond data
190: ok 14738 # correct ring bond data
190: ok 14739 # correct ring bond data
190: ok 14740 # SSSR size matches reference
190: ok 14741 # correct SSSR count
190: ok 14742 # ring membership passed
190: ok 14743 # correct SSSR count
190: ok 14744 # ring membership passed
190: ok 14745 # correct SSSR count
190: ok 14746 # ring membership passed
190: ok 14747 # correct SSSR count
190: ok 14748 # ring membership passed
190: ok 14749 # correct SSSR count
190: ok 14750 # ring membership passed
190: ok 14751 # correct SSSR count
190: ok 14752 # ring membership passed
190: ok 14753 # correct SSSR count
190: ok 14754 # ring membership passed
190: ok 14755 # correct SSSR count
190: ok 14756 # ring membership passed
190: ok 14757 # correct SSSR count
190: ok 14758 # ring membership passed
190: ok 14759 # correct SSSR count
190: ok 14760 # ring membership passed
190: ok 14761 # correct SSSR count
190: ok 14762 # ring membership passed
190: ok 14763 # correct SSSR count
190: ok 14764 # ring membership passed
190: ok 14765 # correct SSSR count
190: ok 14766 # ring membership passed
190: ok 14767 # correct SSSR count
190: ok 14768 # ring membership passed
190: ok 14769 # correct ring bond data
190: ok 14770 # correct ring bond data
190: ok 14771 # correct ring bond data
190: ok 14772 # correct ring bond data
190: ok 14773 # correct ring bond data
190: ok 14774 # correct ring bond data
190: ok 14775 # correct ring bond data
190: ok 14776 # correct ring bond data
190: ok 14777 # correct ring bond data
190: ok 14778 # correct ring bond data
190: ok 14779 # correct ring bond data
190: ok 14780 # SSSR size matches reference
190: ok 14781 # correct SSSR count
190: ok 14782 # ring membership passed
190: ok 14783 # correct SSSR count
190: ok 14784 # ring membership passed
190: ok 14785 # correct SSSR count
190: ok 14786 # ring membership passed
190: ok 14787 # correct SSSR count
190: ok 14788 # ring membership passed
190: ok 14789 # correct SSSR count
190: ok 14790 # ring membership passed
190: ok 14791 # correct SSSR count
190: ok 14792 # ring membership passed
190: ok 14793 # correct SSSR count
190: ok 14794 # ring membership passed
190: ok 14795 # correct SSSR count
190: ok 14796 # ring membership passed
190: ok 14797 # correct SSSR count
190: ok 14798 # ring membership passed
190: ok 14799 # correct SSSR count
190: ok 14800 # ring membership passed
190: ok 14801 # correct SSSR count
190: ok 14802 # ring membership passed
190: ok 14803 # correct SSSR count
190: ok 14804 # ring membership passed
190: ok 14805 # correct ring bond data
190: ok 14806 # correct ring bond data
190: ok 14807 # correct ring bond data
190: ok 14808 # correct ring bond data
190: ok 14809 # correct ring bond data
190: ok 14810 # correct ring bond data
190: ok 14811 # correct ring bond data
190: ok 14812 # correct ring bond data
190: ok 14813 # SSSR size matches reference
190: ok 14814 # correct SSSR count
190: ok 14815 # ring membership passed
190: ok 14816 # correct SSSR count
190: ok 14817 # ring membership passed
190: ok 14818 # correct SSSR count
190: ok 14819 # ring membership passed
190: ok 14820 # correct SSSR count
190: ok 14821 # ring membership passed
190: ok 14822 # correct SSSR count
190: ok 14823 # ring membership passed
190: ok 14824 # correct SSSR count
190: ok 14825 # ring membership passed
190: ok 14826 # correct SSSR count
190: ok 14827 # ring membership passed
190: ok 14828 # correct SSSR count
190: ok 14829 # ring membership passed
190: ok 14830 # correct SSSR count
190: ok 14831 # ring membership passed
190: ok 14832 # correct SSSR count
190: ok 14833 # ring membership passed
190: ok 14834 # correct ring bond data
190: ok 14835 # correct ring bond data
190: ok 14836 # correct ring bond data
190: ok 14837 # correct ring bond data
190: ok 14838 # correct ring bond data
190: ok 14839 # correct ring bond data
190: ok 14840 # correct ring bond data
190: ok 14841 # correct ring bond data
190: ok 14842 # correct ring bond data
190: ok 14843 # correct ring bond data
190: ok 14844 # correct ring bond data
190: ok 14845 # correct ring bond data
190: ok 14846 # correct ring bond data
190: ok 14847 # correct ring bond data
190: ok 14848 # correct ring bond data
190: ok 14849 # SSSR size matches reference
190: ok 14850 # correct SSSR count
190: ok 14851 # ring membership passed
190: ok 14852 # correct SSSR count
190: ok 14853 # ring membership passed
190: ok 14854 # correct SSSR count
190: ok 14855 # ring membership passed
190: ok 14856 # correct SSSR count
190: ok 14857 # ring membership passed
190: ok 14858 # correct SSSR count
190: ok 14859 # ring membership passed
190: ok 14860 # correct SSSR count
190: ok 14861 # ring membership passed
190: ok 14862 # correct SSSR count
190: ok 14863 # ring membership passed
190: ok 14864 # correct SSSR count
190: ok 14865 # ring membership passed
190: ok 14866 # correct SSSR count
190: ok 14867 # ring membership passed
190: ok 14868 # correct SSSR count
190: ok 14869 # ring membership passed
190: ok 14870 # correct SSSR count
190: ok 14871 # ring membership passed
190: ok 14872 # correct SSSR count
190: ok 14873 # ring membership passed
190: ok 14874 # correct SSSR count
190: ok 14875 # ring membership passed
190: ok 14876 # correct SSSR count
190: ok 14877 # ring membership passed
190: ok 14878 # correct SSSR count
190: ok 14879 # ring membership passed
190: ok 14880 # correct SSSR count
190: ok 14881 # ring membership passed
190: ok 14882 # correct ring bond data
190: ok 14883 # correct ring bond data
190: ok 14884 # correct ring bond data
190: ok 14885 # correct ring bond data
190: ok 14886 # correct ring bond data
190: ok 14887 # correct ring bond data
190: ok 14888 # correct ring bond data
190: ok 14889 # correct ring bond data
190: ok 14890 # correct ring bond data
190: ok 14891 # correct ring bond data
190: ok 14892 # correct ring bond data
190: ok 14893 # SSSR size matches reference
190: ok 14894 # correct SSSR count
190: ok 14895 # ring membership passed
190: ok 14896 # correct SSSR count
190: ok 14897 # ring membership passed
190: ok 14898 # correct SSSR count
190: ok 14899 # ring membership passed
190: ok 14900 # correct SSSR count
190: ok 14901 # ring membership passed
190: ok 14902 # correct SSSR count
190: ok 14903 # ring membership passed
190: ok 14904 # correct SSSR count
190: ok 14905 # ring membership passed
190: ok 14906 # correct SSSR count
190: ok 14907 # ring membership passed
190: ok 14908 # correct SSSR count
190: ok 14909 # ring membership passed
190: ok 14910 # correct SSSR count
190: ok 14911 # ring membership passed
190: ok 14912 # correct SSSR count
190: ok 14913 # ring membership passed
190: ok 14914 # correct SSSR count
190: ok 14915 # ring membership passed
190: ok 14916 # correct SSSR count
190: ok 14917 # ring membership passed
190: ok 14918 # correct SSSR count
190: ok 14919 # ring membership passed
190: ok 14920 # correct ring bond data
190: ok 14921 # correct ring bond data
190: ok 14922 # correct ring bond data
190: ok 14923 # correct ring bond data
190: ok 14924 # correct ring bond data
190: ok 14925 # correct ring bond data
190: ok 14926 # SSSR size matches reference
190: ok 14927 # correct SSSR count
190: ok 14928 # ring membership passed
190: ok 14929 # correct SSSR count
190: ok 14930 # ring membership passed
190: ok 14931 # correct SSSR count
190: ok 14932 # ring membership passed
190: ok 14933 # correct SSSR count
190: ok 14934 # ring membership passed
190: ok 14935 # correct SSSR count
190: ok 14936 # ring membership passed
190: ok 14937 # correct SSSR count
190: ok 14938 # ring membership passed
190: ok 14939 # correct SSSR count
190: ok 14940 # ring membership passed
190: ok 14941 # correct SSSR count
190: ok 14942 # ring membership passed
190: ok 14943 # correct ring bond data
190: ok 14944 # correct ring bond data
190: ok 14945 # correct ring bond data
190: ok 14946 # correct ring bond data
190: ok 14947 # correct ring bond data
190: ok 14948 # correct ring bond data
190: ok 14949 # correct ring bond data
190: ok 14950 # correct ring bond data
190: ok 14951 # correct ring bond data
190: ok 14952 # correct ring bond data
190: ok 14953 # correct ring bond data
190: ok 14954 # correct ring bond data
190: ok 14955 # correct ring bond data
190: ok 14956 # SSSR size matches reference
190: ok 14957 # correct SSSR count
190: ok 14958 # ring membership passed
190: ok 14959 # correct SSSR count
190: ok 14960 # ring membership passed
190: ok 14961 # correct SSSR count
190: ok 14962 # ring membership passed
190: ok 14963 # correct SSSR count
190: ok 14964 # ring membership passed
190: ok 14965 # correct SSSR count
190: ok 14966 # ring membership passed
190: ok 14967 # correct SSSR count
190: ok 14968 # ring membership passed
190: ok 14969 # correct SSSR count
190: ok 14970 # ring membership passed
190: ok 14971 # correct SSSR count
190: ok 14972 # ring membership passed
190: ok 14973 # correct SSSR count
190: ok 14974 # ring membership passed
190: ok 14975 # correct SSSR count
190: ok 14976 # ring membership passed
190: ok 14977 # correct SSSR count
190: ok 14978 # ring membership passed
190: ok 14979 # correct SSSR count
190: ok 14980 # ring membership passed
190: ok 14981 # correct SSSR count
190: ok 14982 # ring membership passed
190: ok 14983 # correct ring bond data
190: ok 14984 # correct ring bond data
190: ok 14985 # correct ring bond data
190: ok 14986 # correct ring bond data
190: ok 14987 # correct ring bond data
190: ok 14988 # correct ring bond data
190: ok 14989 # SSSR size matches reference
190: ok 14990 # correct SSSR count
190: ok 14991 # ring membership passed
190: ok 14992 # correct SSSR count
190: ok 14993 # ring membership passed
190: ok 14994 # correct SSSR count
190: ok 14995 # ring membership passed
190: ok 14996 # correct SSSR count
190: ok 14997 # ring membership passed
190: ok 14998 # correct SSSR count
190: ok 14999 # ring membership passed
190: ok 15000 # correct SSSR count
190: ok 15001 # ring membership passed
190: ok 15002 # correct ring bond data
190: ok 15003 # correct ring bond data
190: ok 15004 # correct ring bond data
190: ok 15005 # correct ring bond data
190: ok 15006 # correct ring bond data
190: ok 15007 # correct ring bond data
190: ok 15008 # SSSR size matches reference
190: ok 15009 # correct SSSR count
190: ok 15010 # ring membership passed
190: ok 15011 # correct SSSR count
190: ok 15012 # ring membership passed
190: ok 15013 # correct SSSR count
190: ok 15014 # ring membership passed
190: ok 15015 # correct SSSR count
190: ok 15016 # ring membership passed
190: ok 15017 # correct SSSR count
190: ok 15018 # ring membership passed
190: ok 15019 # correct SSSR count
190: ok 15020 # ring membership passed
190: ok 15021 # correct ring bond data
190: ok 15022 # correct ring bond data
190: ok 15023 # correct ring bond data
190: ok 15024 # correct ring bond data
190: ok 15025 # correct ring bond data
190: ok 15026 # SSSR size matches reference
190: ok 15027 # correct SSSR count
190: ok 15028 # ring membership passed
190: ok 15029 # correct SSSR count
190: ok 15030 # ring membership passed
190: ok 15031 # correct SSSR count
190: ok 15032 # ring membership passed
190: ok 15033 # correct SSSR count
190: ok 15034 # ring membership passed
190: ok 15035 # correct SSSR count
190: ok 15036 # ring membership passed
190: ok 15037 # correct ring bond data
190: ok 15038 # correct ring bond data
190: ok 15039 # correct ring bond data
190: ok 15040 # correct ring bond data
190: ok 15041 # correct ring bond data
190: ok 15042 # correct ring bond data
190: ok 15043 # correct ring bond data
190: ok 15044 # correct ring bond data
190: ok 15045 # correct ring bond data
190: ok 15046 # correct ring bond data
190: ok 15047 # correct ring bond data
190: ok 15048 # correct ring bond data
190: ok 15049 # correct ring bond data
190: ok 15050 # correct ring bond data
190: ok 15051 # correct ring bond data
190: ok 15052 # correct ring bond data
190: ok 15053 # correct ring bond data
190: ok 15054 # correct ring bond data
190: ok 15055 # correct ring bond data
190: ok 15056 # correct ring bond data
190: ok 15057 # correct ring bond data
190: ok 15058 # SSSR size matches reference
190: ok 15059 # correct SSSR count
190: ok 15060 # ring membership passed
190: ok 15061 # correct SSSR count
190: ok 15062 # ring membership passed
190: ok 15063 # correct SSSR count
190: ok 15064 # ring membership passed
190: ok 15065 # correct SSSR count
190: ok 15066 # ring membership passed
190: ok 15067 # correct SSSR count
190: ok 15068 # ring membership passed
190: ok 15069 # correct SSSR count
190: ok 15070 # ring membership passed
190: ok 15071 # correct SSSR count
190: ok 15072 # ring membership passed
190: ok 15073 # correct SSSR count
190: ok 15074 # ring membership passed
190: ok 15075 # correct SSSR count
190: ok 15076 # ring membership passed
190: ok 15077 # correct SSSR count
190: ok 15078 # ring membership passed
190: ok 15079 # correct SSSR count
190: ok 15080 # ring membership passed
190: ok 15081 # correct SSSR count
190: ok 15082 # ring membership passed
190: ok 15083 # correct SSSR count
190: ok 15084 # ring membership passed
190: ok 15085 # correct SSSR count
190: ok 15086 # ring membership passed
190: ok 15087 # correct SSSR count
190: ok 15088 # ring membership passed
190: ok 15089 # correct SSSR count
190: ok 15090 # ring membership passed
190: ok 15091 # correct SSSR count
190: ok 15092 # ring membership passed
190: ok 15093 # correct SSSR count
190: ok 15094 # ring membership passed
190: ok 15095 # correct ring bond data
190: ok 15096 # correct ring bond data
190: ok 15097 # correct ring bond data
190: ok 15098 # correct ring bond data
190: ok 15099 # correct ring bond data
190: ok 15100 # correct ring bond data
190: ok 15101 # correct ring bond data
190: ok 15102 # correct ring bond data
190: ok 15103 # correct ring bond data
190: ok 15104 # correct ring bond data
190: ok 15105 # correct ring bond data
190: ok 15106 # correct ring bond data
190: ok 15107 # correct ring bond data
190: ok 15108 # correct ring bond data
190: ok 15109 # correct ring bond data
190: ok 15110 # correct ring bond data
190: ok 15111 # correct ring bond data
190: ok 15112 # correct ring bond data
190: ok 15113 # SSSR size matches reference
190: ok 15114 # correct SSSR count
190: ok 15115 # ring membership passed
190: ok 15116 # correct SSSR count
190: ok 15117 # ring membership passed
190: ok 15118 # correct SSSR count
190: ok 15119 # ring membership passed
190: ok 15120 # correct SSSR count
190: ok 15121 # ring membership passed
190: ok 15122 # correct SSSR count
190: ok 15123 # ring membership passed
190: ok 15124 # correct SSSR count
190: ok 15125 # ring membership passed
190: ok 15126 # correct SSSR count
190: ok 15127 # ring membership passed
190: ok 15128 # correct SSSR count
190: ok 15129 # ring membership passed
190: ok 15130 # correct SSSR count
190: ok 15131 # ring membership passed
190: ok 15132 # correct SSSR count
190: ok 15133 # ring membership passed
190: ok 15134 # correct SSSR count
190: ok 15135 # ring membership passed
190: ok 15136 # correct SSSR count
190: ok 15137 # ring membership passed
190: ok 15138 # correct SSSR count
190: ok 15139 # ring membership passed
190: ok 15140 # correct SSSR count
190: ok 15141 # ring membership passed
190: ok 15142 # correct SSSR count
190: ok 15143 # ring membership passed
190: ok 15144 # correct SSSR count
190: ok 15145 # ring membership passed
190: ok 15146 # correct ring bond data
190: ok 15147 # correct ring bond data
190: ok 15148 # correct ring bond data
190: ok 15149 # correct ring bond data
190: ok 15150 # correct ring bond data
190: ok 15151 # correct ring bond data
190: ok 15152 # correct ring bond data
190: ok 15153 # correct ring bond data
190: ok 15154 # correct ring bond data
190: ok 15155 # correct ring bond data
190: ok 15156 # correct ring bond data
190: ok 15157 # correct ring bond data
190: ok 15158 # correct ring bond data
190: ok 15159 # correct ring bond data
190: ok 15160 # correct ring bond data
190: ok 15161 # correct ring bond data
190: ok 15162 # correct ring bond data
190: ok 15163 # correct ring bond data
190: ok 15164 # correct ring bond data
190: ok 15165 # correct ring bond data
190: ok 15166 # correct ring bond data
190: ok 15167 # correct ring bond data
190: ok 15168 # SSSR size matches reference
190: ok 15169 # correct SSSR count
190: ok 15170 # ring membership passed
190: ok 15171 # correct SSSR count
190: ok 15172 # ring membership passed
190: ok 15173 # correct SSSR count
190: ok 15174 # ring membership passed
190: ok 15175 # correct SSSR count
190: ok 15176 # ring membership passed
190: ok 15177 # correct SSSR count
190: ok 15178 # ring membership passed
190: ok 15179 # correct SSSR count
190: ok 15180 # ring membership passed
190: ok 15181 # correct SSSR count
190: ok 15182 # ring membership passed
190: ok 15183 # correct SSSR count
190: ok 15184 # ring membership passed
190: ok 15185 # correct SSSR count
190: ok 15186 # ring membership passed
190: ok 15187 # correct SSSR count
190: ok 15188 # ring membership passed
190: ok 15189 # correct SSSR count
190: ok 15190 # ring membership passed
190: ok 15191 # correct SSSR count
190: ok 15192 # ring membership passed
190: ok 15193 # correct SSSR count
190: ok 15194 # ring membership passed
190: ok 15195 # correct SSSR count
190: ok 15196 # ring membership passed
190: ok 15197 # correct SSSR count
190: ok 15198 # ring membership passed
190: ok 15199 # correct SSSR count
190: ok 15200 # ring membership passed
190: ok 15201 # correct SSSR count
190: ok 15202 # ring membership passed
190: ok 15203 # correct SSSR count
190: ok 15204 # ring membership passed
190: ok 15205 # correct SSSR count
190: ok 15206 # ring membership passed
190: ok 15207 # correct ring bond data
190: ok 15208 # correct ring bond data
190: ok 15209 # correct ring bond data
190: ok 15210 # correct ring bond data
190: ok 15211 # correct ring bond data
190: ok 15212 # correct ring bond data
190: ok 15213 # correct ring bond data
190: ok 15214 # correct ring bond data
190: ok 15215 # correct ring bond data
190: ok 15216 # correct ring bond data
190: ok 15217 # correct ring bond data
190: ok 15218 # correct ring bond data
190: ok 15219 # correct ring bond data
190: ok 15220 # correct ring bond data
190: ok 15221 # correct ring bond data
190: ok 15222 # correct ring bond data
190: ok 15223 # correct ring bond data
190: ok 15224 # correct ring bond data
190: ok 15225 # correct ring bond data
190: ok 15226 # correct ring bond data
190: ok 15227 # correct ring bond data
190: ok 15228 # correct ring bond data
190: ok 15229 # SSSR size matches reference
190: ok 15230 # correct SSSR count
190: ok 15231 # ring membership passed
190: ok 15232 # correct SSSR count
190: ok 15233 # ring membership passed
190: ok 15234 # correct SSSR count
190: ok 15235 # ring membership passed
190: ok 15236 # correct SSSR count
190: ok 15237 # ring membership passed
190: ok 15238 # correct SSSR count
190: ok 15239 # ring membership passed
190: ok 15240 # correct SSSR count
190: ok 15241 # ring membership passed
190: ok 15242 # correct SSSR count
190: ok 15243 # ring membership passed
190: ok 15244 # correct SSSR count
190: ok 15245 # ring membership passed
190: ok 15246 # correct SSSR count
190: ok 15247 # ring membership passed
190: ok 15248 # correct SSSR count
190: ok 15249 # ring membership passed
190: ok 15250 # correct SSSR count
190: ok 15251 # ring membership passed
190: ok 15252 # correct SSSR count
190: ok 15253 # ring membership passed
190: ok 15254 # correct SSSR count
190: ok 15255 # ring membership passed
190: ok 15256 # correct SSSR count
190: ok 15257 # ring membership passed
190: ok 15258 # correct SSSR count
190: ok 15259 # ring membership passed
190: ok 15260 # correct SSSR count
190: ok 15261 # ring membership passed
190: ok 15262 # correct SSSR count
190: ok 15263 # ring membership passed
190: ok 15264 # correct SSSR count
190: ok 15265 # ring membership passed
190: ok 15266 # correct SSSR count
190: ok 15267 # ring membership passed
190: ok 15268 # correct ring bond data
190: ok 15269 # correct ring bond data
190: ok 15270 # correct ring bond data
190: ok 15271 # correct ring bond data
190: ok 15272 # correct ring bond data
190: ok 15273 # correct ring bond data
190: ok 15274 # correct ring bond data
190: ok 15275 # correct ring bond data
190: ok 15276 # correct ring bond data
190: ok 15277 # correct ring bond data
190: ok 15278 # correct ring bond data
190: ok 15279 # correct ring bond data
190: ok 15280 # correct ring bond data
190: ok 15281 # correct ring bond data
190: ok 15282 # correct ring bond data
190: ok 15283 # correct ring bond data
190: ok 15284 # correct ring bond data
190: ok 15285 # correct ring bond data
190: ok 15286 # correct ring bond data
190: ok 15287 # correct ring bond data
190: ok 15288 # correct ring bond data
190: ok 15289 # SSSR size matches reference
190: ok 15290 # correct SSSR count
190: ok 15291 # ring membership passed
190: ok 15292 # correct SSSR count
190: ok 15293 # ring membership passed
190: ok 15294 # correct SSSR count
190: ok 15295 # ring membership passed
190: ok 15296 # correct SSSR count
190: ok 15297 # ring membership passed
190: ok 15298 # correct SSSR count
190: ok 15299 # ring membership passed
190: ok 15300 # correct SSSR count
190: ok 15301 # ring membership passed
190: ok 15302 # correct SSSR count
190: ok 15303 # ring membership passed
190: ok 15304 # correct SSSR count
190: ok 15305 # ring membership passed
190: ok 15306 # correct SSSR count
190: ok 15307 # ring membership passed
190: ok 15308 # correct SSSR count
190: ok 15309 # ring membership passed
190: ok 15310 # correct SSSR count
190: ok 15311 # ring membership passed
190: ok 15312 # correct SSSR count
190: ok 15313 # ring membership passed
190: ok 15314 # correct SSSR count
190: ok 15315 # ring membership passed
190: ok 15316 # correct SSSR count
190: ok 15317 # ring membership passed
190: ok 15318 # correct SSSR count
190: ok 15319 # ring membership passed
190: ok 15320 # correct SSSR count
190: ok 15321 # ring membership passed
190: ok 15322 # correct SSSR count
190: ok 15323 # ring membership passed
190: ok 15324 # correct SSSR count
190: ok 15325 # ring membership passed
190: ok 15326 # correct ring bond data
190: ok 15327 # correct ring bond data
190: ok 15328 # correct ring bond data
190: ok 15329 # correct ring bond data
190: ok 15330 # correct ring bond data
190: ok 15331 # correct ring bond data
190: ok 15332 # correct ring bond data
190: ok 15333 # correct ring bond data
190: ok 15334 # correct ring bond data
190: ok 15335 # correct ring bond data
190: ok 15336 # correct ring bond data
190: ok 15337 # correct ring bond data
190: ok 15338 # correct ring bond data
190: ok 15339 # correct ring bond data
190: ok 15340 # correct ring bond data
190: ok 15341 # correct ring bond data
190: ok 15342 # correct ring bond data
190: ok 15343 # correct ring bond data
190: ok 15344 # SSSR size matches reference
190: ok 15345 # correct SSSR count
190: ok 15346 # ring membership passed
190: ok 15347 # correct SSSR count
190: ok 15348 # ring membership passed
190: ok 15349 # correct SSSR count
190: ok 15350 # ring membership passed
190: ok 15351 # correct SSSR count
190: ok 15352 # ring membership passed
190: ok 15353 # correct SSSR count
190: ok 15354 # ring membership passed
190: ok 15355 # correct SSSR count
190: ok 15356 # ring membership passed
190: ok 15357 # correct SSSR count
190: ok 15358 # ring membership passed
190: ok 15359 # correct SSSR count
190: ok 15360 # ring membership passed
190: ok 15361 # correct SSSR count
190: ok 15362 # ring membership passed
190: ok 15363 # correct SSSR count
190: ok 15364 # ring membership passed
190: ok 15365 # correct SSSR count
190: ok 15366 # ring membership passed
190: ok 15367 # correct SSSR count
190: ok 15368 # ring membership passed
190: ok 15369 # correct SSSR count
190: ok 15370 # ring membership passed
190: ok 15371 # correct SSSR count
190: ok 15372 # ring membership passed
190: ok 15373 # correct SSSR count
190: ok 15374 # ring membership passed
190: ok 15375 # correct SSSR count
190: ok 15376 # ring membership passed
190: ok 15377 # correct ring bond data
190: ok 15378 # correct ring bond data
190: ok 15379 # correct ring bond data
190: ok 15380 # correct ring bond data
190: ok 15381 # correct ring bond data
190: ok 15382 # correct ring bond data
190: ok 15383 # correct ring bond data
190: ok 15384 # correct ring bond data
190: ok 15385 # correct ring bond data
190: ok 15386 # correct ring bond data
190: ok 15387 # correct ring bond data
190: ok 15388 # correct ring bond data
190: ok 15389 # correct ring bond data
190: ok 15390 # correct ring bond data
190: ok 15391 # correct ring bond data
190: ok 15392 # correct ring bond data
190: ok 15393 # SSSR size matches reference
190: ok 15394 # correct SSSR count
190: ok 15395 # ring membership passed
190: ok 15396 # correct SSSR count
190: ok 15397 # ring membership passed
190: ok 15398 # correct SSSR count
190: ok 15399 # ring membership passed
190: ok 15400 # correct SSSR count
190: ok 15401 # ring membership passed
190: ok 15402 # correct SSSR count
190: ok 15403 # ring membership passed
190: ok 15404 # correct SSSR count
190: ok 15405 # ring membership passed
190: ok 15406 # correct SSSR count
190: ok 15407 # ring membership passed
190: ok 15408 # correct SSSR count
190: ok 15409 # ring membership passed
190: ok 15410 # correct SSSR count
190: ok 15411 # ring membership passed
190: ok 15412 # correct SSSR count
190: ok 15413 # ring membership passed
190: ok 15414 # correct SSSR count
190: ok 15415 # ring membership passed
190: ok 15416 # correct SSSR count
190: ok 15417 # ring membership passed
190: ok 15418 # correct SSSR count
190: ok 15419 # ring membership passed
190: ok 15420 # correct SSSR count
190: ok 15421 # ring membership passed
190: ok 15422 # correct SSSR count
190: ok 15423 # ring membership passed
190: ok 15424 # correct ring bond data
190: ok 15425 # correct ring bond data
190: ok 15426 # correct ring bond data
190: ok 15427 # correct ring bond data
190: ok 15428 # correct ring bond data
190: ok 15429 # correct ring bond data
190: ok 15430 # correct ring bond data
190: ok 15431 # correct ring bond data
190: ok 15432 # correct ring bond data
190: ok 15433 # correct ring bond data
190: ok 15434 # correct ring bond data
190: ok 15435 # correct ring bond data
190: ok 15436 # correct ring bond data
190: ok 15437 # correct ring bond data
190: ok 15438 # correct ring bond data
190: ok 15439 # correct ring bond data
190: ok 15440 # correct ring bond data
190: ok 15441 # correct ring bond data
190: ok 15442 # correct ring bond data
190: ok 15443 # SSSR size matches reference
190: ok 15444 # correct SSSR count
190: ok 15445 # ring membership passed
190: ok 15446 # correct SSSR count
190: ok 15447 # ring membership passed
190: ok 15448 # correct SSSR count
190: ok 15449 # ring membership passed
190: ok 15450 # correct SSSR count
190: ok 15451 # ring membership passed
190: ok 15452 # correct SSSR count
190: ok 15453 # ring membership passed
190: ok 15454 # correct SSSR count
190: ok 15455 # ring membership passed
190: ok 15456 # correct SSSR count
190: ok 15457 # ring membership passed
190: ok 15458 # correct SSSR count
190: ok 15459 # ring membership passed
190: ok 15460 # correct SSSR count
190: ok 15461 # ring membership passed
190: ok 15462 # correct SSSR count
190: ok 15463 # ring membership passed
190: ok 15464 # correct SSSR count
190: ok 15465 # ring membership passed
190: ok 15466 # correct SSSR count
190: ok 15467 # ring membership passed
190: ok 15468 # correct SSSR count
190: ok 15469 # ring membership passed
190: ok 15470 # correct SSSR count
190: ok 15471 # ring membership passed
190: ok 15472 # correct SSSR count
190: ok 15473 # ring membership passed
190: ok 15474 # correct SSSR count
190: ok 15475 # ring membership passed
190: ok 15476 # correct SSSR count
190: ok 15477 # ring membership passed
190: ok 15478 # correct ring bond data
190: ok 15479 # correct ring bond data
190: ok 15480 # correct ring bond data
190: ok 15481 # correct ring bond data
190: ok 15482 # correct ring bond data
190: ok 15483 # correct ring bond data
190: ok 15484 # correct ring bond data
190: ok 15485 # correct ring bond data
190: ok 15486 # correct ring bond data
190: ok 15487 # correct ring bond data
190: ok 15488 # correct ring bond data
190: ok 15489 # correct ring bond data
190: ok 15490 # SSSR size matches reference
190: ok 15491 # correct SSSR count
190: ok 15492 # ring membership passed
190: ok 15493 # correct SSSR count
190: ok 15494 # ring membership passed
190: ok 15495 # correct SSSR count
190: ok 15496 # ring membership passed
190: ok 15497 # correct SSSR count
190: ok 15498 # ring membership passed
190: ok 15499 # correct SSSR count
190: ok 15500 # ring membership passed
190: ok 15501 # correct SSSR count
190: ok 15502 # ring membership passed
190: ok 15503 # correct SSSR count
190: ok 15504 # ring membership passed
190: ok 15505 # correct SSSR count
190: ok 15506 # ring membership passed
190: ok 15507 # correct SSSR count
190: ok 15508 # ring membership passed
190: ok 15509 # correct SSSR count
190: ok 15510 # ring membership passed
190: ok 15511 # correct SSSR count
190: ok 15512 # ring membership passed
190: ok 15513 # correct ring bond data
190: ok 15514 # correct ring bond data
190: ok 15515 # correct ring bond data
190: ok 15516 # correct ring bond data
190: ok 15517 # correct ring bond data
190: ok 15518 # correct ring bond data
190: ok 15519 # correct ring bond data
190: ok 15520 # correct ring bond data
190: ok 15521 # correct ring bond data
190: ok 15522 # correct ring bond data
190: ok 15523 # correct ring bond data
190: ok 15524 # correct ring bond data
190: ok 15525 # correct ring bond data
190: ok 15526 # correct ring bond data
190: ok 15527 # correct ring bond data
190: ok 15528 # correct ring bond data
190: ok 15529 # correct ring bond data
190: ok 15530 # correct ring bond data
190: ok 15531 # correct ring bond data
190: ok 15532 # correct ring bond data
190: ok 15533 # correct ring bond data
190: ok 15534 # correct ring bond data
190: ok 15535 # SSSR size matches reference
190: ok 15536 # correct SSSR count
190: ok 15537 # ring membership passed
190: ok 15538 # correct SSSR count
190: ok 15539 # ring membership passed
190: ok 15540 # correct SSSR count
190: ok 15541 # ring membership passed
190: ok 15542 # correct SSSR count
190: ok 15543 # ring membership passed
190: ok 15544 # correct SSSR count
190: ok 15545 # ring membership passed
190: ok 15546 # correct SSSR count
190: ok 15547 # ring membership passed
190: ok 15548 # correct SSSR count
190: ok 15549 # ring membership passed
190: ok 15550 # correct SSSR count
190: ok 15551 # ring membership passed
190: ok 15552 # correct SSSR count
190: ok 15553 # ring membership passed
190: ok 15554 # correct SSSR count
190: ok 15555 # ring membership passed
190: ok 15556 # correct SSSR count
190: ok 15557 # ring membership passed
190: ok 15558 # correct SSSR count
190: ok 15559 # ring membership passed
190: ok 15560 # correct SSSR count
190: ok 15561 # ring membership passed
190: ok 15562 # correct SSSR count
190: ok 15563 # ring membership passed
190: ok 15564 # correct SSSR count
190: ok 15565 # ring membership passed
190: ok 15566 # correct SSSR count
190: ok 15567 # ring membership passed
190: ok 15568 # correct SSSR count
190: ok 15569 # ring membership passed
190: ok 15570 # correct SSSR count
190: ok 15571 # ring membership passed
190: ok 15572 # correct SSSR count
190: ok 15573 # ring membership passed
190: ok 15574 # correct ring bond data
190: ok 15575 # correct ring bond data
190: ok 15576 # correct ring bond data
190: ok 15577 # correct ring bond data
190: ok 15578 # correct ring bond data
190: ok 15579 # correct ring bond data
190: ok 15580 # correct ring bond data
190: ok 15581 # correct ring bond data
190: ok 15582 # correct ring bond data
190: ok 15583 # correct ring bond data
190: ok 15584 # correct ring bond data
190: ok 15585 # correct ring bond data
190: ok 15586 # correct ring bond data
190: ok 15587 # correct ring bond data
190: ok 15588 # correct ring bond data
190: ok 15589 # correct ring bond data
190: ok 15590 # correct ring bond data
190: ok 15591 # correct ring bond data
190: ok 15592 # correct ring bond data
190: ok 15593 # correct ring bond data
190: ok 15594 # SSSR size matches reference
190: ok 15595 # correct SSSR count
190: ok 15596 # ring membership passed
190: ok 15597 # correct SSSR count
190: ok 15598 # ring membership passed
190: ok 15599 # correct SSSR count
190: ok 15600 # ring membership passed
190: ok 15601 # correct SSSR count
190: ok 15602 # ring membership passed
190: ok 15603 # correct SSSR count
190: ok 15604 # ring membership passed
190: ok 15605 # correct SSSR count
190: ok 15606 # ring membership passed
190: ok 15607 # correct SSSR count
190: ok 15608 # ring membership passed
190: ok 15609 # correct SSSR count
190: ok 15610 # ring membership passed
190: ok 15611 # correct SSSR count
190: ok 15612 # ring membership passed
190: ok 15613 # correct SSSR count
190: ok 15614 # ring membership passed
190: ok 15615 # correct SSSR count
190: ok 15616 # ring membership passed
190: ok 15617 # correct SSSR count
190: ok 15618 # ring membership passed
190: ok 15619 # correct SSSR count
190: ok 15620 # ring membership passed
190: ok 15621 # correct SSSR count
190: ok 15622 # ring membership passed
190: ok 15623 # correct SSSR count
190: ok 15624 # ring membership passed
190: ok 15625 # correct SSSR count
190: ok 15626 # ring membership passed
190: ok 15627 # correct SSSR count
190: ok 15628 # ring membership passed
190: ok 15629 # correct SSSR count
190: ok 15630 # ring membership passed
190: ok 15631 # correct SSSR count
190: ok 15632 # ring membership passed
190: ok 15633 # correct ring bond data
190: ok 15634 # correct ring bond data
190: ok 15635 # correct ring bond data
190: ok 15636 # correct ring bond data
190: ok 15637 # correct ring bond data
190: ok 15638 # correct ring bond data
190: ok 15639 # SSSR size matches reference
190: ok 15640 # correct SSSR count
190: ok 15641 # ring membership passed
190: ok 15642 # correct SSSR count
190: ok 15643 # ring membership passed
190: ok 15644 # correct SSSR count
190: ok 15645 # ring membership passed
190: ok 15646 # correct SSSR count
190: ok 15647 # ring membership passed
190: ok 15648 # correct SSSR count
190: ok 15649 # ring membership passed
190: ok 15650 # correct SSSR count
190: ok 15651 # ring membership passed
190: ok 15652 # correct SSSR count
190: ok 15653 # ring membership passed
190: ok 15654 # correct ring bond data
190: ok 15655 # correct ring bond data
190: ok 15656 # correct ring bond data
190: ok 15657 # correct ring bond data
190: ok 15658 # correct ring bond data
190: ok 15659 # correct ring bond data
190: ok 15660 # SSSR size matches reference
190: ok 15661 # correct SSSR count
190: ok 15662 # ring membership passed
190: ok 15663 # correct SSSR count
190: ok 15664 # ring membership passed
190: ok 15665 # correct SSSR count
190: ok 15666 # ring membership passed
190: ok 15667 # correct SSSR count
190: ok 15668 # ring membership passed
190: ok 15669 # correct SSSR count
190: ok 15670 # ring membership passed
190: ok 15671 # correct SSSR count
190: ok 15672 # ring membership passed
190: ok 15673 # correct SSSR count
190: ok 15674 # ring membership passed
190: ok 15675 # correct ring bond data
190: ok 15676 # correct ring bond data
190: ok 15677 # SSSR size matches reference
190: ok 15678 # correct SSSR count
190: ok 15679 # ring membership passed
190: ok 15680 # correct SSSR count
190: ok 15681 # ring membership passed
190: ok 15682 # correct SSSR count
190: ok 15683 # ring membership passed
190: 1..15683
178/208 Test #191: test_smartstest_1 ................   Passed    1.37 sec
179/208 Test #193: test_smilesmatch_1 ...............   Passed    1.37 sec
180/208 Test #200: pytest_fastsearch ................   Passed    1.35 sec
181/208 Test #201: pytest_unique ....................   Passed    1.34 sec
182/208 Test #203: pytest_pdbformat .................   Passed    1.34 sec
183/208 Test #204: pybindtest__pybel ................   Passed    1.34 sec
205: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64
205: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testexample.py:1: SyntaxWarning: invalid escape sequence '\P'
205:   """Example test that uses the OpenBabel Python bindings
205: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbindings.py:1: SyntaxWarning: invalid escape sequence '\P'
205:   """Test OpenBabel Python bindings
205: ..
205: ----------------------------------------------------------------------
205: Ran 2 tests in 0.001s
205: 
205: OK
205: 
184/208 Test #205: pybindtest_example ...............   Passed    1.33 sec
195: # Unit tests for OBMol 
195: ok 1
195: ok 2!
195: ok 3!
195: ok 4!
195: ok 5!
195: 1..5
185/208 Test #195: test_cmlreadfile_1 ...............   Passed    1.36 sec
206: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64
206: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testcdjsonformat.py:1: SyntaxWarning: invalid escape sequence '\P'
206:   """Test ChemDoodle JSON format using the OpenBabel Python bindings
206: ..........
206: ----------------------------------------------------------------------
206: Ran 10 tests in 0.002s
206: 
206: OK
206: 
186/208 Test #206: pybindtest_cdjsonformat ..........   Passed    1.33 sec
207: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64
207: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testpcjsonformat.py:1: SyntaxWarning: invalid escape sequence '\P'
207:   """Test PubChem JSON format using the OpenBabel Python bindings
207: .................
207: ----------------------------------------------------------------------
207: Ran 17 tests in 0.011s
207: 
207: OK
207: 
187/208 Test #207: pybindtest_pcjsonformat ..........   Passed    1.33 sec
196: ==============================
196: *** Open Babel Warning  in InChI code
196:   2Ferrocene :Accepted unusual valence(s): Fe(10); C(5); C-1(4);
196: ==============================
196: *** Open Babel Warning  in InChI code
196:   cancel_charges :Charges neutralized
196: ==============================
196: *** Open Babel Warning  in InChI code
196:   cuneane :Ambiguous stereo: center(s)
196: ==============================
196: *** Open Babel Warning  in InChI code
196:   trad :Accepted unusual valence(s): O-1,d(2); H,t(1)
196: 1..41
196:  # molecules converted
196: ok 1 # InChI matched expected
196: ok 2 # InChI matched expected
196: ok 3 # InChI matched expected
196: ok 4 # InChI matched expected
196: ok 5 # InChI matched expected
196: ok 6 # InChI matched expected
196: ok 7 # InChI matched expected
196: ok 8 # InChI matched expected
196: ok 9 # InChI matched expected
196: ok 10 # ignored empty InChI
196: ok 11 # ignored empty InChI
196: ok 12 # ignored empty InChI
196: ok 13 # InChI matched expected
196: ok 14 # InChI matched expected
196: ok 15 # InChI matched expected
196: ok 16 # InChI matched expected
196: ok 17 # InChI matched expected
196: ok 18 # InChI matched expected
196: ok 19 # InChI matched expected
196: ok 20 # InChI matched expected
196: ok 21 # InChI matched expected
196: ok 22 # InChI matched expected
196: ok 23 # InChI matched expected
196: ok 24 # InChI matched expected
196: ok 25 # InChI matched expected
196: ok 26 # InChI matched expected
196: ok 27 # ignored empty InChI
196: ok 28 # ignored empty InChI
196: ok 29 # InChI matched expected
196: ok 30 # InChI matched expected
196: ok 31 # InChI matched expected
196: ok 32 # InChI matched expected
196: ok 33 # InChI matched expected
196: ok 34 # InChI matched expected
196: ok 35 # InChI matched expected
196: ok 36 # InChI matched expected
196: ok 37 # InChI matched expected
196: ok 38 # InChI matched expected
196: ok 39 # InChI matched expected
196: ok 40 # InChI matched expected
196: ok 41 # InChI matched expected
196: 36 molecules compared
196: # 5 # empty molecules skipped
196: 0 failures
188/208 Test #196: inchiSamples.sdf_Test ............   Passed    1.36 sec
208: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/aarch64-redhat-linux-gnu/lib64
197: ==============================
197: *** Open Babel Warning  in InChI code
197:   Table04 :Salt was disconnected;
197: ==============================
197: *** Open Babel Warning  in InChI code
197:   Table09 :Ambiguous stereo: center(s);
197: ==============================
197: *** Open Babel Warning  in InChI code
197:   Table10 :Ambiguous stereo: center(s)
197: 1..44
197:  # molecules converted
197: ok 1 # InChI matched expected
197: ok 2 # InChI matched expected
197: ok 3 # InChI matched expected
197: ok 4 # InChI matched expected
197: ok 5 # InChI matched expected
197: ok 6 # InChI matched expected
197: ok 7 # InChI matched expected
197: ok 8 # InChI matched expected
197: ok 9 # InChI matched expected
197: ok 10 # InChI matched expected
197: ok 11 # InChI matched expected
197: ok 12 # InChI matched expected
197: ok 13 # InChI matched expected
197: ok 14 # InChI matched expected
197: ok 15 # InChI matched expected
197: ok 16 # InChI matched expected
197: ok 17 # InChI matched expected
197: ok 18 # InChI matched expected
197: ok 19 # InChI matched expected
197: ok 20 # InChI matched expected
197: ok 21 # InChI matched expected
197: ok 22 # InChI matched expected
197: ok 23 # InChI matched expected
197: ok 24 # InChI matched expected
197: ok 25 # InChI matched expected
197: ok 26 # ignored empty InChI
197: ok 27 # InChI matched expected
197: ok 28 # InChI matched expected
197: ok 29 # ignored empty InChI
197: ok 30 # InChI matched expected
197: ok 31 # ignored empty InChI
197: ok 32 # InChI matched expected
197: ok 33 # InChI matched expected
197: ok 34 # ignored empty InChI
197: ok 35 # InChI matched expected
197: ok 36 # InChI matched expected
197: ok 37 # InChI matched expected
197: ok 38 # InChI matched expected
197: ok 39 # ignored empty InChI
197: ok 40 # InChI matched expected
197: ok 41 # InChI matched expected
197: ok 42 # ignored empty InChI
197: ok 43 # ignored empty InChI
197: ok 44 # ignored empty InChI
197: 36 molecules compared
197: # 8 # empty molecules skipped
197: 0 failures
189/208 Test #197: inchiSamplesTechMan.sdf_Test .....   Passed    1.36 sec
190/208 Test  #64: test_lssr_4 ......................   Passed    1.85 sec
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162:     torsion (  2.807,   2.075,  -1.093)  (  2.807,   2.075,  -1.093)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.707,  -3.828,   0.904)  ( -0.707,  -3.828,   0.904)  ( 0.00,  0.00,  0.00)
162:     electro (  0.110,   0.099,   0.061)  (  0.110,   0.099,   0.061)  ( 0.00,  0.00,  0.00)
162: 41       ( -2.273,  10.453,   6.209)  ( -2.268,  10.457,   6.219)  ( 0.24,  0.04,  0.16)
162:     bond    ( -5.788,   3.588,   9.319)  ( -5.784,   3.590,   9.329)  ( 0.06,  0.04,  0.10)
162:     angle   (  8.488,  16.065,  -0.919)  (  8.490,  16.067,  -0.919)  ( 0.02,  0.01,  0.07)
162:     torsion ( -3.730,  -1.289,  -1.817)  ( -3.730,  -1.289,  -1.817)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.346,  -7.951,  -0.446)  ( -1.346,  -7.950,  -0.446)  ( 0.00,  0.00,  0.00)
162:     electro (  0.103,   0.039,   0.071)  (  0.103,   0.039,   0.071)  ( 0.00,  0.00,  0.00)
162: 42       ( -3.377,   4.884,  -9.057)  ( -3.374,   4.887,  -9.044)  ( 0.09,  0.05,  0.15)
162:     bond    (  1.963,   0.521, -10.197)  (  1.964,   0.521, -10.183)  ( 0.03,  0.00,  0.13)
162:     angle   ( -9.996,   8.198,  -1.508)  ( -9.994,   8.200,  -1.507)  ( 0.02,  0.03,  0.01)
162:     torsion ( -0.144,   6.172,   0.288)  ( -0.145,   6.172,   0.288)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.858,  -9.999,   2.352)  (  4.858,  -9.999,   2.352)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.058,  -0.008,   0.007)  ( -0.058,  -0.008,   0.007)  ( 0.00,  0.00,  0.00)
162: 43       ( -3.105,   8.144,  -3.972)  ( -3.101,   8.156,  -3.969)  ( 0.14,  0.14,  0.08)
162:     bond    ( -3.568,   8.130,   2.505)  ( -3.565,   8.141,   2.507)  ( 0.06,  0.14,  0.04)
162:     angle   (  1.193,   4.827, -13.981)  (  1.195,   4.828, -13.979)  ( 0.17,  0.01,  0.02)
162:     torsion ( -2.182,  -2.621,   5.410)  ( -2.182,  -2.621,   5.410)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.453,  -2.137,   2.022)  (  1.453,  -2.137,   2.022)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.001,  -0.054,   0.073)  ( -0.001,  -0.054,   0.073)  ( 0.00,  0.00,  0.00)
162: 44       (-10.784,   4.905,  -2.290)  (-10.780,   4.909,  -2.279)  ( 0.03,  0.09,  0.48)
162:     bond    ( -1.245,  -1.494,  -3.293)  ( -1.244,  -1.492,  -3.283)  ( 0.12,  0.15,  0.32)
162:     angle   ( -7.495,  16.263,  -4.553)  ( -7.493,  16.265,  -4.552)  ( 0.03,  0.01,  0.01)
162:     torsion ( -3.199,  -2.788,   2.479)  ( -3.199,  -2.788,   2.479)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.131,  -7.171,   3.119)  (  1.131,  -7.171,   3.119)  ( 0.01,  0.00,  0.00)
162:     electro (  0.025,   0.096,  -0.043)  (  0.025,   0.096,  -0.043)  ( 0.00,  0.00,  0.00)
162: 45       ( -5.582,   7.292,   6.953)  ( -5.572,   7.295,   6.958)  ( 0.18,  0.05,  0.08)
162:     bond    (-10.157,   4.382,   6.381)  (-10.148,   4.383,   6.385)  ( 0.09,  0.04,  0.06)
162:     angle   ( -1.443,  -0.968,  -1.632)  ( -1.443,  -0.966,  -1.630)  ( 0.06,  0.20,  0.11)
162:     torsion (  2.298,   4.300,   0.702)  (  2.298,   4.299,   0.701)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.614,  -0.509,   1.475)  (  3.614,  -0.509,   1.475)  ( 0.00,  0.01,  0.00)
162:     electro (  0.107,   0.087,   0.027)  (  0.107,   0.087,   0.027)  ( 0.00,  0.00,  0.00)
162: 46       (  1.502,  -2.484,  22.995)  (  1.505,  -2.479,  23.008)  ( 0.19,  0.19,  0.06)
162:     bond    ( -3.493,   9.127,  26.544)  ( -3.492,   9.129,  26.556)  ( 0.01,  0.02,  0.05)
162:     angle   ( -3.216,   8.998,  -3.517)  ( -3.214,   9.000,  -3.516)  ( 0.07,  0.03,  0.01)
162:     torsion (  1.122,  -6.958,   2.539)  (  1.122,  -6.958,   2.539)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  7.029, -13.585,  -2.478)  (  7.029, -13.584,  -2.478)  ( 0.00,  0.01,  0.00)
162:     electro (  0.060,  -0.066,  -0.093)  (  0.060,  -0.066,  -0.093)  ( 0.00,  0.00,  0.00)
162: 47       ( 12.368,  -4.506,  -9.860)  ( 12.376,  -4.499,  -9.853)  ( 0.06,  0.14,  0.07)
162:     bond    (  3.308,  -3.151,  -3.452)  (  3.313,  -3.147,  -3.447)  ( 0.14,  0.14,  0.15)
162:     angle   ( -8.806, -11.034,   1.609)  ( -8.804, -11.032,   1.611)  ( 0.02,  0.02,  0.09)
162:     torsion (  0.935,  -1.718,   2.467)  (  0.935,  -1.718,   2.467)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 17.166,  11.473, -10.633)  ( 17.167,  11.474, -10.632)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.235,  -0.076,   0.149)  ( -0.235,  -0.076,   0.149)  ( 0.00,  0.00,  0.00)
162: 48       ( -8.697,   6.010,  -3.440)  ( -8.690,   6.018,  -3.435)  ( 0.08,  0.12,  0.15)
162:     bond    ( -5.745,   6.100,   4.627)  ( -5.740,   6.106,   4.630)  ( 0.09,  0.09,  0.07)
162:     angle   ( -1.120,   0.588,  -2.166)  ( -1.118,   0.590,  -2.164)  ( 0.15,  0.08,  0.07)
162:     torsion ( -2.382,   2.622,  -6.411)  ( -2.382,   2.622,  -6.411)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.557,  -3.149,   0.414)  (  0.557,  -3.149,   0.414)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.007,  -0.151,   0.096)  ( -0.007,  -0.151,   0.096)  ( 0.00,  0.00,  0.00)
162: 49       (  4.913,  -4.170, -18.999)  (  4.916,  -4.167, -18.986)  ( 0.05,  0.08,  0.07)
162:     bond    ( -1.163,   3.976, -17.396)  ( -1.163,   3.976, -17.383)  ( 0.01,  0.02,  0.08)
162:     angle   ( -1.866,  -8.632,  -1.849)  ( -1.864,  -8.630,  -1.849)  ( 0.13,  0.03,  0.01)
162:     torsion (  4.281,  -3.420,  -1.069)  (  4.281,  -3.420,  -1.069)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.684,   4.030,   1.201)  (  3.684,   4.030,   1.201)  ( 0.00,  0.01,  0.00)
162:     electro ( -0.022,  -0.124,   0.114)  ( -0.022,  -0.124,   0.114)  ( 0.00,  0.00,  0.00)
162: 50       ( -2.928,  -5.591, -15.480)  ( -2.923,  -5.584, -15.471)  ( 0.15,  0.12,  0.05)
162:     bond    (  5.810,  -8.644, -10.914)  (  5.813,  -8.639, -10.907)  ( 0.04,  0.05,  0.07)
162:     angle   ( -1.237,   2.617,  -2.734)  ( -1.235,   2.619,  -2.733)  ( 0.17,  0.06,  0.04)
162:     torsion ( -3.418,   2.575,  -3.861)  ( -3.418,   2.575,  -3.861)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.067,  -2.271,   2.010)  ( -4.067,  -2.271,   2.010)  ( 0.00,  0.01,  0.00)
162:     electro ( -0.016,   0.132,   0.019)  ( -0.016,   0.132,   0.019)  ( 0.00,  0.00,  0.00)
162: 51       ( 19.616,  -0.297,   9.656)  ( 19.620,  -0.292,   9.667)  ( 0.02,  0.13,  0.12)
162:     bond    ( -1.047,   1.371,  -3.118)  ( -1.046,   1.373,  -3.107)  ( 0.12,  0.15,  0.35)
162:     angle   (-19.284, -11.124,   1.573)  (-19.282, -11.122,   1.574)  ( 0.01,  0.02,  0.03)
162:     torsion (  4.242,  -4.702,  -3.506)  (  4.242,  -4.702,  -3.506)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 35.747,  14.123,  14.700)  ( 35.748,  14.124,  14.700)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.042,   0.035,   0.006)  ( -0.042,   0.035,   0.006)  ( 0.00,  0.00,  0.00)
162: 52       (-13.704,   6.920,  -1.069)  (-13.701,   6.923,  -1.057)  ( 0.03,  0.05,  1.14)
162:     bond    ( -3.332,   2.481,  -9.253)  ( -3.330,   2.482,  -9.241)  ( 0.05,  0.04,  0.13)
162:     angle   ( -2.775,   9.142,   3.455)  ( -2.773,   9.144,   3.455)  ( 0.08,  0.02,  0.01)
162:     torsion ( -4.300,   1.076,   1.838)  ( -4.300,   1.076,   1.838)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.362,  -5.634,   2.789)  ( -3.362,  -5.634,   2.789)  ( 0.00,  0.00,  0.00)
162:     electro (  0.065,  -0.146,   0.101)  (  0.065,  -0.146,   0.101)  ( 0.00,  0.00,  0.00)
162: 53       ( -6.772,   4.115,  19.114)  ( -6.767,   4.123,  19.121)  ( 0.07,  0.20,  0.04)
162:     bond    ( -7.768,  13.770,  12.651)  ( -7.765,  13.777,  12.656)  ( 0.03,  0.05,  0.04)
162:     angle   ( -6.357,  -8.669,   5.534)  ( -6.355,  -8.668,   5.535)  ( 0.03,  0.02,  0.02)
162:     torsion (  3.944,   1.224,   1.087)  (  3.944,   1.224,   1.087)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.332,  -2.032,  -0.117)  (  3.332,  -2.032,  -0.117)  ( 0.00,  0.01,  0.00)
162:     electro (  0.077,  -0.179,  -0.041)  (  0.077,  -0.179,  -0.041)  ( 0.00,  0.00,  0.00)
162: 54       ( -9.251,  -2.073,  15.373)  ( -9.249,  -2.071,  15.387)  ( 0.03,  0.14,  0.09)
162:     bond    ( -1.729,   0.440,  19.656)  ( -1.729,   0.440,  19.670)  ( 0.01,  0.00,  0.07)
162:     angle   ( -0.508,  -2.205,   0.005)  ( -0.506,  -2.203,   0.005)  ( 0.12,  0.12,  0.00)
162:     torsion ( -7.215,  -1.283,  -0.605)  ( -7.215,  -1.283,  -0.605)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.152,   0.997,  -3.350)  (  0.152,   0.997,  -3.350)  ( 0.00,  0.01,  0.00)
162:     electro (  0.049,  -0.022,  -0.333)  (  0.049,  -0.022,  -0.333)  ( 0.00,  0.00,  0.00)
162: 55       (  2.696,  -3.472,  -0.969)  (  2.709,  -3.469,  -0.965)  ( 0.49,  0.08,  0.30)
162:     bond    ( -0.003,   0.001,   0.002)  (  0.010,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
162:     angle   (  0.968, -19.998,   2.649)  (  0.968, -19.996,   2.651)  ( 0.02,  0.01,  0.07)
162:     torsion (  0.546,   0.938,  -2.130)  (  0.546,   0.938,  -2.130)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.265,  15.526,  -1.506)  (  1.265,  15.526,  -1.506)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.079,   0.063,   0.017)  ( -0.079,   0.063,   0.017)  ( 0.00,  0.00,  0.00)
162: 56       ( -7.342, -13.590,  -2.119)  ( -7.340, -13.587,  -2.105)  ( 0.03,  0.02,  0.64)
162:     bond    ( -0.228,  -1.518,  -7.046)  ( -0.228,  -1.517,  -7.032)  ( 0.00,  0.04,  0.19)
162:     angle   (  1.375, -14.093,   2.995)  (  1.377, -14.091,   2.995)  ( 0.16,  0.01,  0.00)
162:     torsion ( -2.507,  -1.771,   0.463)  ( -2.507,  -1.771,   0.463)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -5.863,   3.701,   1.444)  ( -5.863,   3.701,   1.444)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.119,   0.091,   0.025)  ( -0.119,   0.091,   0.025)  ( 0.00,  0.00,  0.00)
162: 57       ( -3.437, -13.153,  10.542)  ( -3.433, -13.143,  10.547)  ( 0.12,  0.07,  0.05)
162:     bond    ( -7.015, -14.859,   9.112)  ( -7.013, -14.850,   9.116)  ( 0.03,  0.06,  0.04)
162:     angle   (  5.572,  -2.900,  -0.436)  (  5.574,  -2.899,  -0.434)  ( 0.03,  0.03,  0.07)
162:     torsion (  1.664,   0.516,   2.120)  (  1.664,   0.516,   2.120)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.550,   3.955,  -0.253)  ( -3.550,   3.955,  -0.253)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.108,   0.135,  -0.002)  ( -0.108,   0.135,  -0.002)  ( 0.00,  0.00,  0.00)
162: 58       ( -8.967,  -0.985,  -4.497)  ( -8.961,  -0.975,  -4.494)  ( 0.07,  0.96,  0.06)
162:     bond    ( -3.054,   4.137,   0.969)  ( -3.049,   4.146,   0.970)  ( 0.16,  0.21,  0.05)
162:     angle   (-10.621,  -6.790,  -4.360)  (-10.619,  -6.789,  -4.358)  ( 0.01,  0.01,  0.05)
162:     torsion (  0.462,   0.660,  -1.369)  (  0.462,   0.660,  -1.369)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.078,   1.000,   0.239)  (  4.078,   1.001,   0.239)  ( 0.00,  0.00,  0.00)
162:     electro (  0.167,   0.007,   0.023)  (  0.167,   0.007,   0.023)  ( 0.00,  0.00,  0.00)
162: 59       ( -9.358, -11.621,   0.696)  ( -9.353, -11.611,   0.700)  ( 0.05,  0.08,  0.29)
162:     bond    ( -6.959, -12.644,   6.347)  ( -6.957, -12.635,   6.349)  ( 0.04,  0.07,  0.04)
162:     angle   ( -7.398,   0.405,  -7.299)  ( -7.396,   0.405,  -7.297)  ( 0.02,  0.03,  0.02)
162:     torsion ( -0.575,   0.888,   1.138)  ( -0.575,   0.888,   1.138)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.404,  -0.292,   0.487)  (  5.404,  -0.292,   0.487)  ( 0.00,  0.00,  0.00)
162:     electro (  0.171,   0.023,   0.023)  (  0.171,   0.023,   0.023)  ( 0.00,  0.00,  0.00)
162: 60       ( -3.589,  -9.768,  -9.617)  ( -3.587,  -9.766,  -9.603)  ( 0.07,  0.02,  0.14)
162:     bond    (  0.325,  -1.894, -13.079)  (  0.325,  -1.894, -13.065)  ( 0.00,  0.02,  0.11)
162:     angle   (-10.501,  -5.287,   0.505)  (-10.499,  -5.285,   0.505)  ( 0.02,  0.04,  0.00)
162:     torsion (  0.134,  -1.812,   0.266)  (  0.134,  -1.811,   0.266)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.306,  -0.790,   2.628)  (  6.306,  -0.790,   2.628)  ( 0.00,  0.00,  0.00)
162:     electro (  0.147,   0.015,   0.063)  (  0.147,   0.015,   0.063)  ( 0.00,  0.00,  0.00)
162: 61       (  1.131,  -1.661,   5.517)  (  1.143,  -1.658,   5.521)  ( 1.07,  0.18,  0.07)
162:     bond    (  0.790,   0.192,   0.327)  (  0.801,   0.193,   0.329)  ( 0.91,  0.01,  0.06)
162:     angle   ( -1.535, -14.190,  12.056)  ( -1.535, -14.188,  12.058)  ( 0.03,  0.01,  0.02)
162:     torsion ( -1.058,   2.524,   1.095)  ( -1.058,   2.524,   1.095)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.958,   9.790,  -7.974)  (  2.958,   9.790,  -7.974)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.024,   0.022,   0.013)  ( -0.024,   0.022,   0.013)  ( 0.00,  0.00,  0.00)
162: 62       (-18.793,  -8.916,  -2.322)  (-18.790,  -8.902,  -2.319)  ( 0.02,  0.16,  0.11)
162:     bond    ( -0.155,  -1.815,   0.061)  ( -0.155,  -1.801,   0.061)  ( 0.00,  0.77,  0.00)
162:     angle   ( 11.176,  -0.415,  16.278)  ( 11.178,  -0.415,  16.280)  ( 0.02,  0.00,  0.01)
162:     torsion (  3.102,  -0.284,  -0.492)  (  3.102,  -0.284,  -0.492)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-32.887,  -6.407, -18.129)  (-32.886,  -6.407, -18.129)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.028,   0.005,  -0.039)  ( -0.028,   0.005,  -0.039)  ( 0.00,  0.00,  0.00)
162: 63       ( -9.679,   4.907,   3.945)  ( -9.671,   4.911,   3.952)  ( 0.08,  0.08,  0.18)
162:     bond    ( -9.380,   5.378,   8.317)  ( -9.373,   5.380,   8.322)  ( 0.07,  0.04,  0.06)
162:     angle   (  2.019,  -0.632,   2.681)  (  2.020,  -0.630,   2.682)  ( 0.05,  0.11,  0.06)
162:     torsion ( -1.826,  -2.219,  -0.622)  ( -1.826,  -2.219,  -0.622)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.491,   2.299,  -6.394)  ( -0.491,   2.299,  -6.394)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.001,   0.081,  -0.036)  ( -0.001,   0.081,  -0.036)  ( 0.00,  0.00,  0.00)
162: 64       ( 14.765,  -3.549,   0.688)  ( 14.779,  -3.547,   0.692)  ( 0.09,  0.07,  0.24)
162:     bond    (  5.465,   0.880,  -1.324)  (  5.478,   0.880,  -1.323)  ( 0.24,  0.03,  0.06)
162:     angle   ( -3.603, -13.053, -23.595)  ( -3.602, -13.051, -23.593)  ( 0.01,  0.02,  0.01)
162:     torsion (  0.640,  -2.270,   1.141)  (  0.640,  -2.270,   1.141)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 12.181,  10.982,  24.513)  ( 12.181,  10.982,  24.513)  ( 0.00,  0.00,  0.00)
162:     electro (  0.082,  -0.088,  -0.046)  (  0.082,  -0.088,  -0.046)  ( 0.00,  0.00,  0.00)
162: 65       (  3.892,  10.006,  -9.110)  (  3.898,  10.011,  -9.101)  ( 0.15,  0.04,  0.10)
162:     bond    ( -2.770,   2.059,  -3.865)  ( -2.766,   2.061,  -3.858)  ( 0.15,  0.11,  0.20)
162:     angle   ( 15.805, -10.041, -16.698)  ( 15.807, -10.039, -16.697)  ( 0.01,  0.02,  0.01)
162:     torsion (  1.831,   1.886,  -0.305)  (  1.831,   1.887,  -0.305)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-10.990,  16.110,  11.893)  (-10.990,  16.110,  11.894)  ( 0.00,  0.00,  0.00)
162:     electro (  0.017,  -0.008,  -0.136)  (  0.017,  -0.008,  -0.136)  ( 0.00,  0.00,  0.00)
162: 66       ( -9.115,  -9.006,  -1.471)  ( -9.113,  -8.992,  -1.468)  ( 0.03,  0.15,  0.18)
162:     bond    ( -0.323,  -2.331,  -0.063)  ( -0.323,  -2.317,  -0.063)  ( 0.01,  0.59,  0.00)
162:     angle   ( 11.074,  -1.131, -15.051)  ( 11.076,  -1.131, -15.049)  ( 0.02,  0.00,  0.02)
162:     torsion ( -2.233,   0.331,  -0.749)  ( -2.233,   0.331,  -0.749)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-17.663,  -5.755,  14.342)  (-17.663,  -5.755,  14.342)  ( 0.00,  0.00,  0.00)
162:     electro (  0.030,  -0.120,   0.051)  (  0.030,  -0.120,   0.051)  ( 0.00,  0.00,  0.00)
162: 67       (  5.918,  -9.153,   3.030)  (  5.921,  -9.139,   3.033)  ( 0.05,  0.15,  0.08)
162:     bond    (  1.178, -11.514,   0.493)  (  1.178, -11.500,   0.493)  ( 0.02,  0.12,  0.00)
162:     angle   (  6.250,   1.025,   8.968)  (  6.252,   1.025,   8.970)  ( 0.04,  0.00,  0.02)
162:     torsion (  0.695,  -0.077,  -3.453)  (  0.695,  -0.077,  -3.453)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.325,   1.329,  -2.927)  ( -2.325,   1.329,  -2.927)  ( 0.01,  0.00,  0.00)
162:     electro (  0.121,   0.084,  -0.051)  (  0.121,   0.084,  -0.051)  ( 0.00,  0.00,  0.00)
162: 68       (  0.482,   2.947,  13.576)  (  0.486,   2.950,  13.588)  ( 0.18,  0.12,  0.09)
162:     bond    ( -4.784,   4.778,  14.747)  ( -4.782,   4.780,  14.759)  ( 0.03,  0.03,  0.08)
162:     angle   (  8.501,  -1.938,   3.382)  (  8.503,  -1.936,   3.382)  ( 0.03,  0.10,  0.01)
162:     torsion (  0.482,  -4.936,   1.755)  (  0.482,  -4.936,   1.755)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.760,   4.943,  -6.294)  ( -3.759,   4.943,  -6.294)  ( 0.00,  0.00,  0.00)
162:     electro (  0.042,   0.099,  -0.014)  (  0.042,   0.099,  -0.014)  ( 0.00,  0.00,  0.00)
162: 69       (  9.153,  -3.697, -10.224)  (  9.158,  -3.692, -10.214)  ( 0.05,  0.15,  0.09)
162:     bond    (  0.831,  -0.975,  -1.503)  (  0.834,  -0.971,  -1.495)  ( 0.21,  0.34,  0.54)
162:     angle   (  2.396, -12.562,   9.494)  (  2.397, -12.560,   9.495)  ( 0.08,  0.02,  0.01)
162:     torsion (  5.617,  -2.100,   4.496)  (  5.617,  -2.100,   4.496)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.258,  12.064, -22.714)  (  0.259,  12.064, -22.714)  ( 0.02,  0.00,  0.00)
162:     electro (  0.051,  -0.125,   0.004)  (  0.051,  -0.125,   0.004)  ( 0.00,  0.00,  0.00)
162: 70       (  7.709,  -1.420,  13.480)  (  7.716,  -1.417,  13.489)  ( 0.09,  0.22,  0.07)
162:     bond    (  9.230,  -2.843,  12.603)  (  9.235,  -2.843,  12.611)  ( 0.05,  0.02,  0.07)
162:     angle   ( -0.993,  -6.827,  -0.813)  ( -0.992,  -6.825,  -0.812)  ( 0.15,  0.03,  0.06)
162:     torsion ( -3.437,   2.418,   3.061)  ( -3.437,   2.418,   3.061)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.924,   5.851,  -1.469)  (  2.924,   5.851,  -1.469)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.015,  -0.018,   0.098)  ( -0.015,  -0.018,   0.098)  ( 0.00,  0.00,  0.00)
162: 71       ( 15.337,   0.468,  -6.953)  ( 15.349,   0.472,  -6.949)  ( 0.08,  0.18,  0.06)
162:     bond    ( 10.156,   4.115,  -3.749)  ( 10.167,   4.117,  -3.748)  ( 0.11,  0.04,  0.04)
162:     angle   ( -2.895, -13.080, -22.219)  ( -2.894, -13.078, -22.217)  ( 0.02,  0.01,  0.01)
162:     torsion (  0.311,  -0.472,   0.325)  (  0.311,  -0.472,   0.325)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  7.727,  10.056,  18.626)  (  7.727,  10.056,  18.626)  ( 0.00,  0.00,  0.00)
162:     electro (  0.039,  -0.151,   0.065)  (  0.039,  -0.151,   0.065)  ( 0.00,  0.00,  0.00)
162: 72       ( -2.716,   3.451, -11.879)  ( -2.708,   3.454, -11.870)  ( 0.29,  0.08,  0.07)
162:     bond    ( -5.252,   1.505,  -5.857)  ( -5.246,   1.506,  -5.849)  ( 0.12,  0.04,  0.13)
162:     angle   ( 16.316,  -1.564, -15.037)  ( 16.317,  -1.562, -15.036)  ( 0.01,  0.13,  0.01)
162:     torsion (  0.522,   0.865,  -0.245)  (  0.522,   0.865,  -0.245)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-14.285,   2.813,   9.371)  (-14.285,   2.813,   9.371)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.017,  -0.168,  -0.111)  ( -0.017,  -0.168,  -0.111)  ( 0.00,  0.00,  0.00)
162: 73       ( -1.977,  -8.183,  -0.263)  ( -1.974,  -8.169,  -0.260)  ( 0.12,  0.17,  0.07)
162:     bond    (  0.203,  -1.906,   0.142)  (  0.203,  -1.892,   0.142)  ( 0.00,  0.73,  0.00)
162:     angle   ( 11.906,   0.081, -15.902)  ( 11.908,   0.081, -15.899)  ( 0.02,  0.00,  0.02)
162:     torsion ( -0.518,  -0.066,  -0.135)  ( -0.518,  -0.066,  -0.135)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-13.619,  -6.139,  15.500)  (-13.619,  -6.139,  15.500)  ( 0.00,  0.00,  0.00)
162:     electro (  0.052,  -0.154,   0.131)  (  0.052,  -0.154,   0.131)  ( 0.00,  0.00,  0.00)
162: 74       ( -9.261,   1.471,  -4.775)  ( -9.256,   1.473,  -4.764)  ( 0.06,  0.14,  0.21)
162:     bond    ( -3.300,  -2.275,  -4.913)  ( -3.296,  -2.273,  -4.904)  ( 0.13,  0.09,  0.19)
162:     angle   ( -0.706,  -0.289,   0.607)  ( -0.705,  -0.289,   0.608)  ( 0.08,  0.01,  0.05)
162:     torsion ( -2.796,   5.459,  -0.652)  ( -2.796,   5.459,  -0.652)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.459,  -1.424,   0.183)  ( -2.459,  -1.424,   0.183)  ( 0.00,  0.00,  0.00)
162: ok 22 # gradients 
162: ok 23 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (243.435, -129.883,  97.853)  (243.468, -129.847,  97.862)  ( 0.01,  0.03,  0.01)
162:     bond    ( 13.714, -161.918,  57.015)  ( 13.737, -161.892,  57.019)  ( 0.16,  0.02,  0.01)
162:     angle   (241.825,  42.374,  40.057)  (241.835,  42.383,  40.058)  ( 0.00,  0.02,  0.00)
162:     torsion (  1.708,  -1.592,   0.535)  (  1.708,  -1.591,   0.539)  ( 0.03,  0.05,  0.24)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-14.823,  -7.893,  -0.106)  (-14.823,  -7.893,  -0.106)  ( 0.00,  0.00,  0.00)
162:     electro (  1.012,  -0.854,   0.352)  (  1.012,  -0.854,   0.352)  ( 0.00,  0.00,  0.00)
162:  2       (-213.165, 239.894, -122.837)  (-213.131, 239.930, -122.828)  ( 0.02,  0.01,  0.01)
162:     bond    ( 41.916, 143.345, -37.441)  ( 41.937, 143.373, -37.437)  ( 0.05,  0.02,  0.01)
162:     angle   (-253.888,  71.912, -100.043)  (-253.878,  71.918, -100.043)  ( 0.00,  0.01,  0.00)
162:     torsion ( -6.134,   7.270,  24.251)  ( -6.134,   7.271,  24.255)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.565,  18.251,  -9.760)  (  5.566,  18.252,  -9.761)  ( 0.02,  0.00,  0.00)
162:     electro ( -0.624,  -0.884,   0.157)  ( -0.624,  -0.884,   0.157)  ( 0.00,  0.00,  0.00)
162:  3       (-150.025, 122.428, -24.536)  (-149.990, 122.475, -24.531)  ( 0.02,  0.04,  0.02)
162:     bond    (-100.738, 108.256, -17.186)  (-100.713, 108.294, -17.185)  ( 0.02,  0.04,  0.01)
162:     angle   (-47.166,  14.804,  -4.640)  (-47.156,  14.813,  -4.640)  ( 0.02,  0.06,  0.02)
162:     torsion ( -1.343,   3.194,  -3.831)  ( -1.343,   3.194,  -3.828)  ( 0.00,  0.00,  0.07)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.737,   0.521,  -2.281)  ( -6.737,   0.521,  -2.281)  ( 0.00,  0.01,  0.00)
162:     electro (  5.959,  -4.347,   3.403)  (  5.959,  -4.347,   3.403)  ( 0.00,  0.00,  0.00)
162:  4       (  9.643, -88.299,  28.696)  (  9.675, -88.259,  28.708)  ( 0.33,  0.05,  0.04)
162:     bond    (  3.149,  11.268,  -3.764)  (  3.171,  11.298,  -3.757)  ( 0.73,  0.27,  0.19)
162:     angle   (  6.039, -82.872,  35.774)  (  6.047, -82.864,  35.776)  ( 0.14,  0.01,  0.01)
162:     torsion (  2.826,  -1.640,  -8.348)  (  2.826,  -1.640,  -8.344)  ( 0.01,  0.05,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.918, -17.675,   7.022)  (  0.919, -17.674,   7.022)  ( 0.01,  0.00,  0.00)
162:     electro ( -3.288,   2.621,  -1.988)  ( -3.288,   2.621,  -1.988)  ( 0.00,  0.00,  0.00)
162:  5       (-20.852,  34.625, -37.259)  (-20.847,  34.648, -37.253)  ( 0.02,  0.07,  0.01)
162:     bond    (  1.606,  57.568, -25.196)  (  1.606,  57.591, -25.191)  ( 0.02,  0.04,  0.02)
162:     angle   (-24.563,  -1.326,  -4.597)  (-24.559,  -1.326,  -4.597)  ( 0.02,  0.00,  0.01)
162:     torsion (  3.709,  -8.418, -19.008)  (  3.709,  -8.418, -19.008)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-12.625, -10.274,   7.171)  (-12.624, -10.274,   7.171)  ( 0.01,  0.00,  0.00)
162:     electro ( 11.021,  -2.925,   4.371)  ( 11.021,  -2.925,   4.371)  ( 0.00,  0.00,  0.00)
162:  6       (-387.995,  95.745, -78.809)  (-387.959,  95.780, -78.800)  ( 0.01,  0.04,  0.01)
162:     bond    (-170.923, 156.286, -74.681)  (-170.899, 156.312, -74.678)  ( 0.01,  0.02,  0.00)
162:     angle   (-219.890, -40.280, -20.904)  (-219.880, -40.272, -20.903)  ( 0.00,  0.02,  0.00)
162:     torsion ( -1.343,   3.083,   6.957)  ( -1.343,   3.084,   6.962)  ( 0.00,  0.02,  0.06)
162:     oop     ( -0.005,   0.013,   0.040)  ( -0.005,   0.013,   0.040)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.646, -22.596,   9.528)  (  3.647, -22.596,   9.528)  ( 0.03,  0.00,  0.00)
162:     electro (  0.521,  -0.761,   0.251)  (  0.521,  -0.761,   0.251)  ( 0.00,  0.00,  0.00)
162:  7       (173.034, -205.670,  88.803)  (173.075, -205.632,  88.813)  ( 0.02,  0.02,  0.01)
162:     bond    (-30.994,  23.260, -12.018)  (-30.963,  23.288, -12.014)  ( 0.10,  0.12,  0.04)
162:     angle   (209.295, -246.958, 102.767)  (209.304, -246.949, 102.766)  ( 0.00,  0.00,  0.00)
162:     torsion ( -0.848,   0.390,   3.384)  ( -0.847,   0.391,   3.389)  ( 0.01,  0.02,  0.16)
162:     oop     ( -0.064,   0.173,   0.491)  ( -0.064,   0.173,   0.491)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -5.122,  18.379,  -6.122)  ( -5.121,  18.379,  -6.122)  ( 0.02,  0.00,  0.00)
162:     electro (  0.767,  -0.914,   0.302)  (  0.767,  -0.914,   0.302)  ( 0.00,  0.00,  0.00)
162:  8       (176.395,  20.267,  22.152)  (176.428,  20.297,  22.159)  ( 0.02,  0.15,  0.03)
162:     bond    (126.293, -50.819,  33.089)  (126.321, -50.798,  33.091)  ( 0.02,  0.04,  0.01)
162:     angle   ( 34.480,  88.092, -24.751)  ( 34.485,  88.100, -24.750)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.863,   2.056,   6.381)  ( -0.863,   2.057,   6.384)  ( 0.00,  0.02,  0.05)
162:     oop     (  0.045,  -0.120,  -0.365)  (  0.045,  -0.120,  -0.364)  ( 0.00,  0.00,  0.02)
162:     vdw     ( 16.167, -19.067,   7.814)  ( 16.168, -19.066,   7.814)  ( 0.00,  0.00,  0.00)
162:     electro (  0.272,   0.124,  -0.016)  (  0.272,   0.124,  -0.016)  ( 0.00,  0.00,  0.00)
162:  9       (239.894, -72.401, -15.239)  (239.924, -72.370, -15.231)  ( 0.01,  0.04,  0.05)
162:     bond    (123.035, -74.312,  32.669)  (123.062, -74.290,  32.673)  ( 0.02,  0.03,  0.01)
162:     angle   (106.566, -15.151, -14.452)  (106.568, -15.143, -14.450)  ( 0.00,  0.05,  0.01)
162:     torsion (  4.251,  -6.973, -25.732)  (  4.251,  -6.973, -25.729)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.962,  16.449,  -7.787)  ( -0.962,  16.450,  -7.787)  ( 0.01,  0.00,  0.00)
162:     electro (  7.003,   7.586,   0.063)  (  7.003,   7.586,   0.063)  ( 0.00,  0.00,  0.00)
162: 10       (-213.303, 251.697, -120.074)  (-213.267, 251.729, -120.066)  ( 0.02,  0.01,  0.01)
162:     bond    (-198.774, -33.489, -14.358)  (-198.745, -33.469, -14.355)  ( 0.01,  0.06,  0.02)
162:     angle   (-15.676, 272.089, -97.794)  (-15.670, 272.098, -97.793)  ( 0.04,  0.00,  0.00)
162:     torsion ( -0.557,   1.730,   5.848)  ( -0.557,   1.730,   5.851)  ( 0.00,  0.03,  0.06)
162:     oop     (  0.191,  -0.578,  -1.569)  (  0.191,  -0.578,  -1.569)  ( 0.00,  0.00,  0.04)
162:     vdw     (  1.608,  11.677, -12.164)  (  1.609,  11.678, -12.164)  ( 0.03,  0.01,  0.00)
162:     electro ( -0.095,   0.269,  -0.036)  ( -0.095,   0.269,  -0.036)  ( 0.00,  0.00,  0.00)
162: 11       ( 91.395, -97.429,  11.923)  ( 91.433, -97.396,  11.930)  ( 0.04,  0.03,  0.06)
162:     bond    (205.126, -17.769,  30.132)  (205.153, -17.743,  30.136)  ( 0.01,  0.15,  0.01)
162:     angle   (-127.916, -87.978,  -9.803)  (-127.906, -87.973,  -9.802)  ( 0.01,  0.01,  0.01)
162:     torsion ( -0.628,   0.279,  -5.824)  ( -0.628,   0.280,  -5.821)  ( 0.01,  0.01,  0.05)
162:     oop     ( -0.028,   0.097,   0.238)  ( -0.028,   0.097,   0.238)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 14.867,   8.063,  -2.849)  ( 14.868,   8.063,  -2.849)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.027,  -0.120,   0.028)  ( -0.027,  -0.120,   0.028)  ( 0.00,  0.00,  0.00)
162: 12       ( -9.502,  -5.347,   2.856)  ( -9.497,  -5.334,   2.859)  ( 0.04,  0.24,  0.10)
162:     bond    ( -0.172,  -3.228,   1.215)  ( -0.171,  -3.216,   1.217)  ( 0.00,  0.39,  0.15)
162:     angle   (-17.373,   0.415,  -1.350)  (-17.370,   0.415,  -1.350)  ( 0.02,  0.00,  0.01)
162:     torsion ( -0.986,   2.554,   6.610)  ( -0.986,   2.555,   6.611)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.068,   0.230,   0.598)  ( -0.068,   0.230,   0.598)  ( 0.00,  0.00,  0.01)
162:     vdw     (  8.319,  -3.681,  -4.283)  (  8.320,  -3.681,  -4.283)  ( 0.01,  0.00,  0.00)
162:     electro (  0.778,  -1.637,   0.066)  (  0.778,  -1.637,   0.066)  ( 0.00,  0.00,  0.00)
162: 13       ( 35.280,  -2.720,   5.343)  ( 35.316,  -2.686,   5.352)  ( 0.10,  1.28,  0.16)
162:     bond    (-17.572,  68.840, -24.748)  (-17.546,  68.867, -24.745)  ( 0.15,  0.04,  0.01)
162:     angle   ( 53.028, -48.241,  22.126)  ( 53.038, -48.234,  22.127)  ( 0.02,  0.02,  0.00)
162:     torsion (  0.215,  -1.026,  -3.228)  (  0.215,  -1.025,  -3.224)  ( 0.00,  0.04,  0.12)
162:     oop     ( -0.098,   0.247,   0.753)  ( -0.098,   0.247,   0.754)  ( 0.00,  0.00,  0.05)
162:     vdw     (  4.357, -19.538,   9.903)  (  4.358, -19.538,   9.903)  ( 0.02,  0.00,  0.00)
162:     electro ( -4.650,  -3.002,   0.537)  ( -4.650,  -3.002,   0.537)  ( 0.00,  0.00,  0.00)
162: 14       (  4.875,  -2.048,   1.248)  (  4.878,  -2.035,   1.250)  ( 0.05,  0.64,  0.17)
162:     bond    ( -0.012,  -0.862,   0.280)  ( -0.012,  -0.849,   0.281)  ( 0.00,  1.12,  0.04)
162:     angle   ( -5.352,  -0.132,  -0.628)  ( -5.350,  -0.132,  -0.628)  ( 0.03,  0.00,  0.00)
162:     torsion ( -0.024,   0.064,   0.192)  ( -0.024,   0.064,   0.193)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.006,   0.017,   0.051)  ( -0.006,   0.017,   0.051)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 11.767,  -1.427,   1.446)  ( 11.768,  -1.427,   1.446)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.497,   0.293,  -0.093)  ( -1.497,   0.293,  -0.093)  ( 0.00,  0.00,  0.00)
162: 15       (-29.961, -53.287,  21.519)  (-29.949, -53.279,  21.521)  ( 0.04,  0.01,  0.01)
162:     bond    (  5.687,  -3.544,   1.953)  (  5.698,  -3.540,   1.954)  ( 0.18,  0.11,  0.06)
162:     angle   ( 17.524,  24.913,  -5.968)  ( 17.525,  24.915,  -5.968)  ( 0.01,  0.01,  0.00)
162:     torsion (  0.283,  -0.691,  -2.078)  (  0.283,  -0.691,  -2.077)  ( 0.00,  0.01,  0.04)
162:     oop     (  0.033,  -0.079,  -0.240)  (  0.033,  -0.079,  -0.240)  ( 0.00,  0.00,  0.00)
162:     vdw     (-55.285, -74.520,  28.523)  (-55.284, -74.518,  28.523)  ( 0.00,  0.00,  0.00)
162:     electro (  1.796,   0.634,  -0.671)  (  1.796,   0.634,  -0.671)  ( 0.00,  0.00,  0.00)
162: 16       (-93.458, -78.831, 108.133)  (-93.427, -78.805, 108.145)  ( 0.03,  0.03,  0.01)
162:     bond    (-86.251, -62.985,  59.792)  (-86.227, -62.966,  59.798)  ( 0.03,  0.03,  0.01)
162:     angle   ( -0.284,  -9.354,  55.228)  ( -0.278,  -9.346,  55.233)  ( 0.19,  0.08,  0.01)
162:     torsion (  4.732,  -8.367,  -0.701)  (  4.732,  -8.367,  -0.701)  ( 0.00,  0.00,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -9.001,  -3.425,  -2.168)  ( -9.000,  -3.425,  -2.168)  ( 0.00,  0.01,  0.00)
162:     electro ( -2.654,   5.299,  -4.017)  ( -2.654,   5.299,  -4.017)  ( 0.00,  0.00,  0.00)
162: 17       (-59.217,  68.094,  99.158)  (-59.200,  68.131,  99.189)  ( 0.03,  0.05,  0.03)
162:     bond    (-14.572,   8.759,  35.421)  (-14.563,   8.786,  35.442)  ( 0.06,  0.31,  0.06)
162:     angle   (-30.431,  50.753,  66.157)  (-30.424,  50.763,  66.167)  ( 0.02,  0.02,  0.01)
162:     torsion (  0.561,  -2.636,   2.948)  (  0.561,  -2.636,   2.949)  ( 0.02,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-14.500,  10.680,  -5.146)  (-14.499,  10.680,  -5.146)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.274,   0.538,  -0.223)  ( -0.274,   0.538,  -0.223)  ( 0.00,  0.00,  0.00)
162: 18       ( 18.743,   7.225,   1.367)  ( 18.754,   7.232,   1.371)  ( 0.06,  0.09,  0.24)
162:     bond    (  9.683,  -6.296,   4.710)  (  9.691,  -6.292,   4.713)  ( 0.09,  0.06,  0.05)
162:     angle   (  5.877,   8.285,  -1.025)  (  5.878,   8.287,  -1.024)  ( 0.02,  0.03,  0.02)
162:     torsion ( -0.696,   0.896,   2.626)  ( -0.696,   0.896,   2.627)  ( 0.00,  0.01,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  9.432,   9.448,  -6.296)  (  9.433,   9.448,  -6.296)  ( 0.00,  0.01,  0.00)
162:     electro ( -5.553,  -5.108,   1.352)  ( -5.553,  -5.108,   1.352)  ( 0.00,  0.00,  0.00)
162: 19       ( 31.262,  -3.433, -23.037)  ( 31.290,  -3.405, -23.010)  ( 0.09,  0.81,  0.12)
162:     bond    ( 16.659, -41.413, -39.745)  ( 16.677, -41.394, -39.726)  ( 0.11,  0.05,  0.05)
162:     angle   ( 28.813,  16.760,   6.269)  ( 28.822,  16.768,   6.277)  ( 0.03,  0.05,  0.12)
162:     torsion ( -4.337,   6.828,  -5.077)  ( -4.337,   6.828,  -5.077)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -9.694,  14.431,  15.138)  ( -9.693,  14.431,  15.138)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.179,  -0.038,   0.379)  ( -0.179,  -0.038,   0.379)  ( 0.00,  0.00,  0.00)
162: 20       ( 34.360,  72.561, -31.770)  ( 34.388,  72.590, -31.743)  ( 0.08,  0.04,  0.08)
162:     bond    (-32.639,  38.555,  -3.353)  (-32.621,  38.574,  -3.334)  ( 0.06,  0.05,  0.56)
162:     angle   ( 15.456,   2.881,  -6.003)  ( 15.465,   2.891,  -5.996)  ( 0.06,  0.32,  0.13)
162:     torsion (  1.494,  -0.570,   7.900)  (  1.494,  -0.570,   7.900)  ( 0.01,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 50.194,  32.876, -30.506)  ( 50.194,  32.877, -30.505)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.145,  -1.181,   0.192)  ( -0.145,  -1.181,   0.192)  ( 0.00,  0.00,  0.00)
162: 21       (  1.450, -13.355,  -5.871)  (  1.461, -13.349,  -5.869)  ( 0.73,  0.05,  0.04)
162:     bond    (  6.671,  -4.488,   0.587)  (  6.681,  -4.484,   0.587)  ( 0.14,  0.10,  0.01)
162:     angle   (-10.824, -17.938, -13.829)  (-10.823, -17.936, -13.827)  ( 0.01,  0.01,  0.02)
162:     torsion (  0.092,   0.258,   0.924)  (  0.092,   0.258,   0.924)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.370,   8.090,   5.502)  (  5.371,   8.090,   5.502)  ( 0.00,  0.00,  0.00)
162:     electro (  0.140,   0.723,   0.945)  (  0.140,   0.723,   0.945)  ( 0.00,  0.00,  0.00)
162: 22       (  5.351,   0.480, -12.277)  (  5.353,   0.484, -12.264)  ( 0.04,  0.18,  0.11)
162:     bond    ( -1.188,   4.315, -13.803)  ( -1.188,   4.316, -13.790)  ( 0.01,  0.03,  0.09)
162:     angle   (  6.627,  -4.394,  -1.946)  (  6.629,  -4.392,  -1.946)  ( 0.03,  0.05,  0.01)
162:     torsion (  0.961,  -1.516,  -0.557)  (  0.961,  -1.516,  -0.557)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.463,   1.716,   3.044)  ( -1.463,   1.716,   3.044)  ( 0.00,  0.00,  0.00)
162:     electro (  0.414,   0.359,   0.986)  (  0.414,   0.359,   0.986)  ( 0.00,  0.00,  0.00)
162: 23       ( -9.348,  66.052,   6.198)  ( -9.321,  66.080,   6.225)  ( 0.29,  0.04,  0.42)
162:     bond    (-15.976, -14.308,   0.725)  (-15.958, -14.290,   0.743)  ( 0.12,  0.12,  1.33)
162:     angle   (  7.263,  52.187,   0.459)  (  7.272,  52.196,   0.467)  ( 0.12,  0.02,  0.34)
162:     torsion (  1.357,   4.220,  -1.018)  (  1.357,   4.220,  -1.017)  ( 0.01,  0.01,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.052,  23.747,   5.943)  ( -2.052,  23.748,   5.943)  ( 0.00,  0.00,  0.00)
162:     electro (  0.060,   0.205,   0.089)  (  0.060,   0.205,   0.089)  ( 0.00,  0.00,  0.00)
162: 24       ( -3.458,   6.379,   4.175)  ( -3.455,   6.388,   4.182)  ( 0.08,  0.14,  0.18)
162:     bond    (  0.248,   7.426,   6.618)  (  0.248,   7.434,   6.624)  ( 0.00,  0.11,  0.09)
162:     angle   (-12.472,  -2.222,   2.957)  (-12.469,  -2.221,   2.959)  ( 0.02,  0.04,  0.04)
162:     torsion (  0.579,  -0.504,   0.544)  (  0.579,  -0.504,   0.544)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  7.907,   3.337,  -6.670)  (  7.908,   3.337,  -6.670)  ( 0.00,  0.00,  0.00)
162:     electro (  0.279,  -1.658,   0.725)  (  0.279,  -1.658,   0.725)  ( 0.00,  0.00,  0.00)
162: 25       ( 47.600, -21.511, -33.250)  ( 47.628, -21.483, -33.223)  ( 0.06,  0.13,  0.08)
162:     bond    (-16.280,  -4.390,   5.193)  (-16.262,  -4.372,   5.211)  ( 0.11,  0.42,  0.35)
162:     angle   ( 40.624,  -7.126, -26.096)  ( 40.633,  -7.117, -26.088)  ( 0.02,  0.12,  0.03)
162:     torsion (  3.611,   0.746,  -2.747)  (  3.611,   0.746,  -2.747)  ( 0.01,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 19.431, -10.560,  -9.544)  ( 19.431, -10.560,  -9.543)  ( 0.00,  0.00,  0.00)
162:     electro (  0.215,  -0.181,  -0.055)  (  0.215,  -0.181,  -0.055)  ( 0.00,  0.00,  0.00)
162: 26       (  5.897,  17.008,  -6.176)  (  5.900,  17.013,  -6.164)  ( 0.06,  0.03,  0.19)
162:     bond    ( -2.112,   4.629, -11.095)  ( -2.112,   4.631, -11.083)  ( 0.02,  0.04,  0.10)
162:     angle   (-11.054,  -0.117,   2.057)  (-11.051,  -0.115,   2.058)  ( 0.02,  0.02,  0.02)
162:     torsion ( -0.718,   1.139,   0.613)  ( -0.718,   1.140,   0.613)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 19.610,  13.361,   1.940)  ( 19.610,  13.361,   1.940)  ( 0.00,  0.00,  0.00)
162:     electro (  0.171,  -2.004,   0.309)  (  0.171,  -2.004,   0.309)  ( 0.00,  0.00,  0.00)
162: 27       (-46.185, -30.348, -10.099)  (-46.161, -30.324, -10.085)  ( 0.05,  0.08,  0.13)
162:     bond    ( -9.157,  -5.246, -10.804)  ( -9.139,  -5.228, -10.797)  ( 0.20,  0.34,  0.06)
162:     angle   (-45.617, -31.019,  -1.758)  (-45.611, -31.014,  -1.751)  ( 0.01,  0.02,  0.35)
162:     torsion ( -5.884,  -3.666,  -0.502)  ( -5.884,  -3.666,  -0.501)  ( 0.00,  0.01,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 12.543,   7.362,   1.613)  ( 12.543,   7.362,   1.613)  ( 0.00,  0.00,  0.00)
162:     electro (  1.930,   2.221,   1.352)  (  1.930,   2.221,   1.352)  ( 0.00,  0.00,  0.00)
162: 28       ( -0.909, -12.252,   5.767)  ( -0.906, -12.248,   5.779)  ( 0.28,  0.03,  0.21)
162:     bond    (  1.926,  -4.995,  11.194)  (  1.926,  -4.992,  11.206)  ( 0.02,  0.05,  0.10)
162:     angle   ( -0.582,  -7.258,  -3.133)  ( -0.579,  -7.256,  -3.133)  ( 0.15,  0.02,  0.01)
162:     torsion ( -0.574,  -4.249,  -1.795)  ( -0.574,  -4.249,  -1.795)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.864,   3.876,  -0.368)  ( -0.864,   3.876,  -0.368)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.815,   0.373,  -0.131)  ( -0.815,   0.373,  -0.131)  ( 0.00,  0.00,  0.00)
162: 29       ( -1.215,  -6.423,  -1.688)  ( -1.213,  -6.414,  -1.680)  ( 0.23,  0.14,  0.43)
162:     bond    ( -0.358,  -5.027,  -4.340)  ( -0.358,  -5.019,  -4.334)  ( 0.00,  0.16,  0.14)
162:     angle   ( -0.867,  -3.780,   4.445)  ( -0.864,  -3.779,   4.447)  ( 0.23,  0.02,  0.03)
162:     torsion (  0.009,   1.724,  -1.997)  (  0.009,   1.724,  -1.997)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.354,   0.043,  -0.205)  (  0.354,   0.043,  -0.205)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.353,   0.616,   0.409)  ( -0.353,   0.616,   0.409)  ( 0.00,  0.00,  0.00)
162: 30       ( -6.845,   0.913,   1.976)  ( -6.834,   0.918,   1.978)  ( 0.16,  0.52,  0.12)
162:     bond    ( -5.928,   3.515,  -0.385)  ( -5.918,   3.519,  -0.385)  ( 0.17,  0.10,  0.00)
162:     angle   ( -1.889,  -2.662,   4.706)  ( -1.888,  -2.660,   4.708)  ( 0.03,  0.07,  0.05)
162:     torsion (  0.545,   0.691,  -2.056)  (  0.545,   0.691,  -2.056)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.142,   0.376,  -0.048)  (  0.142,   0.376,  -0.048)  ( 0.00,  0.00,  0.00)
162:     electro (  0.286,  -1.007,  -0.241)  (  0.286,  -1.007,  -0.241)  ( 0.00,  0.00,  0.00)
162: 31       ( -8.087,  -2.126,  10.829)  ( -8.084,  -2.122,  10.842)  ( 0.03,  0.18,  0.12)
162:     bond    (  1.295,  -3.749,  11.836)  (  1.296,  -3.748,  11.849)  ( 0.02,  0.04,  0.11)
162:     angle   ( -7.992,   2.748,   1.743)  ( -7.990,   2.750,   1.744)  ( 0.03,  0.08,  0.01)
162:     torsion ( -3.829,   1.331,   0.840)  ( -3.829,   1.331,   0.840)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.640,  -1.381,  -2.928)  (  2.640,  -1.381,  -2.928)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.202,  -1.073,  -0.663)  ( -0.202,  -1.073,  -0.663)  ( 0.00,  0.00,  0.00)
162: 32       (  3.782,  -2.362,  12.697)  (  3.792,  -2.354,  12.701)  ( 0.25,  0.34,  0.03)
162:     bond    ( -2.410,  -2.075,   1.208)  ( -2.402,  -2.069,   1.210)  ( 0.34,  0.30,  0.17)
162:     angle   (  2.377,   0.318,   5.268)  (  2.378,   0.320,   5.269)  ( 0.04,  0.06,  0.02)
162:     torsion (  3.459,  -0.401,   6.184)  (  3.460,  -0.401,   6.184)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.196,  -0.114,  -0.019)  ( -0.196,  -0.114,  -0.019)  ( 0.00,  0.00,  0.00)
162:     electro (  0.552,  -0.089,   0.057)  (  0.552,  -0.089,   0.057)  ( 0.00,  0.00,  0.00)
162: 33       ( 14.707,  15.392,  24.561)  ( 14.712,  15.418,  24.561)  ( 0.03,  0.17,  0.00)
162:     bond    (  2.460,  14.832,  -0.289)  (  2.461,  14.859,  -0.288)  ( 0.03,  0.18,  0.00)
162:     angle   ( 44.102,  -7.196,   5.657)  ( 44.106,  -7.196,   5.657)  ( 0.01,  0.00,  0.00)
162:     torsion ( -3.348,   1.119,  29.067)  ( -3.348,   1.119,  29.067)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-13.195,  -1.613,  -5.003)  (-13.195,  -1.613,  -5.003)  ( 0.00,  0.00,  0.00)
162:     electro (-15.312,   8.249,  -4.872)  (-15.312,   8.249,  -4.872)  ( 0.00,  0.00,  0.00)
162: 34       ( 90.156, -169.662,   6.911)  ( 90.180, -169.641,   6.913)  ( 0.03,  0.01,  0.03)
162:     bond    (113.119, -119.745,  19.428)  (113.140, -119.731,  19.429)  ( 0.02,  0.01,  0.01)
162:     angle   ( 20.434, -27.807,   4.485)  ( 20.435, -27.801,   4.485)  ( 0.01,  0.02,  0.01)
162:     torsion (  2.332,  -0.887, -19.412)  (  2.332,  -0.887, -19.411)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-42.736, -28.761,   6.436)  (-42.735, -28.761,   6.436)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.992,   7.539,  -4.026)  ( -2.992,   7.539,  -4.026)  ( 0.00,  0.00,  0.00)
162: 35       (  2.054,  31.026,  -2.404)  (  2.065,  31.033,  -2.403)  ( 0.51,  0.02,  0.03)
162:     bond    ( 17.628,  13.996,   1.112)  ( 17.637,  14.002,   1.112)  ( 0.05,  0.04,  0.01)
162:     angle   (-21.183,  26.990,  -3.906)  (-21.182,  26.991,  -3.906)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.171,  -0.091,  -1.558)  (  0.171,  -0.091,  -1.558)  ( 0.00,  0.00,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro (  5.438,  -9.868,   1.948)  (  5.438,  -9.868,   1.948)  ( 0.00,  0.00,  0.00)
162: 36       ( 19.874,  -0.962, -15.567)  ( 19.910,  -0.941, -15.541)  ( 0.18,  2.01,  0.17)
162:     bond    ( 20.777, -25.063, -11.073)  ( 20.805, -25.050, -11.056)  ( 0.13,  0.05,  0.15)
162:     angle   (  2.785,  15.055,  -3.975)  (  2.794,  15.063,  -3.965)  ( 0.31,  0.06,  0.25)
162:     torsion ( -5.968,   1.304,  -1.007)  ( -5.968,   1.303,  -1.007)  ( 0.00,  0.03,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.063,   8.544,   0.466)  (  2.063,   8.544,   0.466)  ( 0.00,  0.00,  0.00)
162:     electro (  0.216,  -0.802,   0.022)  (  0.216,  -0.802,   0.022)  ( 0.00,  0.00,  0.00)
162: 37       ( -5.930,  -4.258, -25.737)  ( -5.904,  -4.232, -25.705)  ( 0.43,  0.61,  0.13)
162:     bond    ( -2.461, -26.438, -16.460)  ( -2.444, -26.421, -16.438)  ( 0.72,  0.07,  0.13)
162:     angle   ( -1.129,  12.699, -13.147)  ( -1.122,  12.708, -13.137)  ( 0.68,  0.07,  0.08)
162:     torsion (  4.307,   3.398,   2.906)  (  4.307,   3.398,   2.906)  ( 0.01,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.798,   6.828,   1.015)  ( -6.798,   6.828,   1.015)  ( 0.00,  0.00,  0.00)
162:     electro (  0.152,  -0.745,  -0.051)  (  0.152,  -0.745,  -0.051)  ( 0.00,  0.00,  0.00)
162: 38       (  1.190,   5.045,  -6.234)  (  1.194,   5.051,  -6.225)  ( 0.39,  0.12,  0.13)
162:     bond    ( -2.309,   4.051,  -4.780)  ( -2.307,   4.057,  -4.773)  ( 0.07,  0.13,  0.15)
162:     angle   (  1.551,   1.029,   0.123)  (  1.554,   1.029,   0.124)  ( 0.19,  0.07,  0.01)
162:     torsion (  3.107,  -0.067,  -1.559)  (  3.106,  -0.067,  -1.559)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.931,  -0.156,   0.009)  ( -0.931,  -0.156,   0.009)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.227,   0.189,  -0.027)  ( -0.227,   0.189,  -0.027)  ( 0.00,  0.00,  0.00)
162: 39       ( -2.417,  -7.673,   6.179)  ( -2.408,  -7.670,   6.186)  ( 0.35,  0.04,  0.13)
162:     bond    ( -4.552,  -1.713,   4.541)  ( -4.546,  -1.712,   4.548)  ( 0.15,  0.05,  0.15)
162:     angle   (  1.497,  -7.841,  -1.454)  (  1.498,  -7.839,  -1.453)  ( 0.12,  0.02,  0.08)
162:     torsion (  2.759,  -1.370,   2.242)  (  2.759,  -1.370,   2.242)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.001,   3.070,   0.732)  ( -2.001,   3.070,   0.732)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.119,   0.181,   0.117)  ( -0.119,   0.181,   0.117)  ( 0.00,  0.00,  0.00)
162: 40       (  2.495,   5.396,  -5.771)  (  2.500,   5.404,  -5.765)  ( 0.21,  0.15,  0.09)
162:     bond    (  3.908,   5.356,  -3.020)  (  3.913,   5.364,  -3.017)  ( 0.11,  0.15,  0.08)
162:     angle   ( -1.013,   0.507,  -0.412)  ( -1.012,   0.508,  -0.409)  ( 0.12,  0.03,  0.12)
162:     torsion ( -1.277,  -0.746,  -2.982)  ( -1.277,  -0.746,  -2.982)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.905,   0.007,   0.589)  (  0.905,   0.007,   0.589)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.029,   0.272,   0.054)  ( -0.029,   0.272,   0.054)  ( 0.00,  0.00,  0.00)
162: 41       ( -0.002,  -4.405,   6.787)  (  0.000,  -4.402,   6.801)  ( 0.00,  0.06,  0.20)
162:     bond    (  1.119,  -0.900,   5.841)  (  1.120,  -0.900,   5.855)  ( 0.04,  0.03,  0.23)
162:     angle   (  0.861,  -2.684,  -0.577)  (  0.863,  -2.682,  -0.577)  ( 0.19,  0.09,  0.00)
162:     torsion ( -2.950,  -2.613,   0.162)  ( -2.950,  -2.613,   0.162)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.125,   1.757,   1.262)  (  1.125,   1.757,   1.262)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.157,   0.035,   0.098)  ( -0.157,   0.035,   0.098)  ( 0.00,  0.00,  0.00)
162: 42       (  8.231, -46.377,   3.047)  (  8.233, -46.373,   3.061)  ( 0.03,  0.01,  0.43)
162:     bond    ( -1.187,  -0.100,   3.673)  ( -1.186,  -0.100,   3.686)  ( 0.12,  0.00,  0.36)
162:     angle   (  9.928, -50.673,   1.815)  (  9.929, -50.669,   1.815)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.764,   3.743,  -0.144)  ( -0.764,   3.743,  -0.144)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.037,  -0.220,  -0.845)  (  0.037,  -0.220,  -0.844)  ( 0.00,  0.00,  0.00)
162:     electro (  0.217,   0.873,  -1.452)  (  0.217,   0.873,  -1.452)  ( 0.00,  0.00,  0.00)
162: ok 24 # gradients 
162: ok 25 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       ( 15.644, 125.382,   8.490)  ( 15.677, 125.410,   8.493)  ( 0.22,  0.02,  0.04)
162:     bond    ( 17.373,  73.022,   6.267)  ( 17.401,  73.042,   6.267)  ( 0.16,  0.03,  0.01)
162:     angle   ( -2.709,  52.504,   2.697)  ( -2.703,  52.513,   2.697)  ( 0.24,  0.02,  0.00)
162:     torsion (  0.078,   0.026,  -0.588)  (  0.078,   0.026,  -0.585)  ( 0.00,  0.00,  0.19)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.913,  -0.143,   0.026)  (  0.913,  -0.143,   0.026)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.012,  -0.028,   0.089)  ( -0.012,  -0.028,   0.089)  ( 0.00,  0.00,  0.00)
162:  2       (  3.413,   2.349,   0.643)  (  3.448,   2.385,   0.649)  ( 1.02,  1.53,  0.40)
162:     bond    (-27.832, -25.792,  -4.889)  (-27.806, -25.765,  -4.889)  ( 0.09,  0.10,  0.01)
162:     angle   ( 31.946,  28.998,   6.175)  ( 31.954,  29.007,   6.174)  ( 0.03,  0.03,  0.00)
162:     torsion (  0.090,   0.043,  -0.861)  (  0.090,   0.043,  -0.855)  ( 0.00,  0.00,  0.50)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.935,  -0.767,  -0.059)  ( -0.935,  -0.767,  -0.059)  ( 0.01,  0.00,  0.00)
162:     electro (  0.144,  -0.132,   0.277)  (  0.144,  -0.132,   0.277)  ( 0.00,  0.00,  0.00)
162:  3       (-60.076, -124.122, -11.442)  (-60.041, -124.085, -11.437)  ( 0.06,  0.03,  0.05)
162:     bond    ( -2.236, -32.032,  -2.221)  ( -2.211, -32.005,  -2.221)  ( 1.13,  0.08,  0.03)
162:     angle   (-35.495, -109.358, -13.161)  (-35.486, -109.349, -13.161)  ( 0.03,  0.01,  0.00)
162:     torsion ( -0.728,  -0.150,   6.625)  ( -0.728,  -0.150,   6.629)  ( 0.01,  0.00,  0.07)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-21.763,  17.707,  -2.867)  (-21.763,  17.708,  -2.867)  ( 0.00,  0.00,  0.00)
162:     electro (  0.146,  -0.289,   0.182)  (  0.146,  -0.289,   0.182)  ( 0.00,  0.00,  0.00)
162:  4       ( 69.645,  38.599,  20.809)  ( 69.675,  38.633,  20.812)  ( 0.04,  0.09,  0.02)
162:     bond    ( 80.610,  67.321,  13.988)  ( 80.629,  67.349,  13.988)  ( 0.02,  0.04,  0.00)
162:     angle   ( 13.985, -19.121,  10.319)  ( 13.995, -19.114,  10.320)  ( 0.07,  0.04,  0.01)
162:     torsion ( -0.030,  -0.023,  -5.570)  ( -0.030,  -0.023,  -5.568)  ( 0.00,  0.00,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-24.861,  -9.584,   2.033)  (-24.861,  -9.584,   2.033)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.058,   0.005,   0.038)  ( -0.058,   0.005,   0.038)  ( 0.00,  0.00,  0.00)
162:  5       (-65.626,  46.637,  -7.647)  (-65.598,  46.667,  -7.621)  ( 0.04,  0.06,  0.35)
162:     bond    ( 38.092, -28.282,  -8.383)  ( 38.111, -28.263,  -8.364)  ( 0.05,  0.07,  0.22)
162:     angle   (-83.340,  67.151,  -0.747)  (-83.331,  67.161,  -0.740)  ( 0.01,  0.02,  0.49)
162:     torsion ( -0.408,   0.323,  -5.983)  ( -0.408,   0.323,  -5.982)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-20.691,   6.854,   8.178)  (-20.690,   6.854,   8.178)  ( 0.00,  0.01,  0.00)
162:     electro (  0.721,   0.593,  -0.712)  (  0.721,   0.593,  -0.712)  ( 0.00,  0.00,  0.00)
162:  6       (-84.995, -79.051, -15.103)  (-84.981, -79.036, -15.103)  ( 0.02,  0.02,  0.00)
162:     bond    (-74.810, -76.213, -12.570)  (-74.799, -76.202, -12.571)  ( 0.02,  0.01,  0.00)
162:     angle   ( -9.506,  -4.523,  -1.871)  ( -9.504,  -4.519,  -1.871)  ( 0.02,  0.07,  0.00)
162:     torsion (  0.115,   0.059,  -0.989)  (  0.115,   0.059,  -0.989)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.736,   1.636,  -0.101)  ( -0.735,   1.636,  -0.101)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.058,  -0.011,   0.428)  ( -0.058,  -0.011,   0.428)  ( 0.00,  0.00,  0.00)
162:  7       ( 40.249,  17.933,  48.945)  ( 40.274,  17.958,  48.958)  ( 0.06,  0.14,  0.03)
162:     bond    ( 40.914,  20.980,  56.184)  ( 40.932,  20.998,  56.189)  ( 0.04,  0.09,  0.01)
162:     angle   (-15.006,  10.514, -13.322)  (-14.999,  10.520, -13.316)  ( 0.04,  0.06,  0.05)
162:     torsion (  2.866,  -3.976,  -5.494)  (  2.866,  -3.976,  -5.493)  ( 0.01,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 16.577,  -2.819,  10.063)  ( 16.578,  -2.819,  10.063)  ( 0.00,  0.01,  0.00)
162:     electro ( -5.103,  -6.765,   1.515)  ( -5.103,  -6.765,   1.515)  ( 0.00,  0.00,  0.00)
162:  8       ( 12.564,  -6.466,   0.379)  ( 12.567,  -6.454,   0.384)  ( 0.02,  0.18,  0.18)
162:     bond    ( -0.079,  -3.442,   1.689)  ( -0.079,  -3.431,   1.692)  ( 0.00,  0.33,  0.16)
162:     angle   ( 28.794,  -4.274,  -7.318)  ( 28.796,  -4.274,  -7.316)  ( 0.01,  0.01,  0.03)
162:     torsion (  0.796,   0.380,   0.808)  (  0.796,   0.380,   0.808)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-17.254,   0.282,   7.059)  (-17.253,   0.282,   7.059)  ( 0.00,  0.00,  0.00)
162:     electro (  0.307,   0.588,  -1.858)  (  0.307,   0.588,  -1.858)  ( 0.00,  0.00,  0.00)
162:  9       ( 11.619,  -5.680, -13.501)  ( 11.622,  -5.677, -13.487)  ( 0.03,  0.05,  0.10)
162:     bond    ( -2.283,  -2.038, -14.456)  ( -2.282,  -2.038, -14.442)  ( 0.02,  0.02,  0.09)
162:     angle   ( 19.832,  -7.343,  -2.099)  ( 19.834,  -7.341,  -2.099)  ( 0.01,  0.03,  0.00)
162:     torsion ( -0.663,  -0.886,   0.230)  ( -0.663,  -0.885,   0.230)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.080,   3.773,   2.609)  ( -4.080,   3.773,   2.609)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.186,   0.814,   0.214)  ( -1.186,   0.814,   0.214)  ( 0.00,  0.00,  0.00)
162: 10       ( 23.620, -63.059,  12.308)  ( 23.648, -63.031,  12.335)  ( 0.12,  0.04,  0.22)
162:     bond    (-19.896,  28.244, -15.298)  (-19.878,  28.263, -15.280)  ( 0.09,  0.07,  0.12)
162:     angle   ( 31.272, -66.499,  22.060)  ( 31.282, -66.490,  22.068)  ( 0.03,  0.01,  0.03)
162:     torsion (  1.847,  -0.313,   1.869)  (  1.847,  -0.313,   1.869)  ( 0.02,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 10.372, -24.536,   3.728)  ( 10.372, -24.536,   3.728)  ( 0.01,  0.00,  0.00)
162:     electro (  0.025,   0.045,  -0.052)  (  0.025,   0.045,  -0.052)  ( 0.00,  0.00,  0.00)
162: 11       ( 41.115,  31.887,  -3.911)  ( 41.142,  31.915,  -3.885)  ( 0.07,  0.09,  0.66)
162:     bond    ( 43.968, -11.102,   3.079)  ( 43.986, -11.083,   3.097)  ( 0.04,  0.17,  0.60)
162:     angle   ( -1.014,  54.715, -13.618)  ( -1.005,  54.724, -13.611)  ( 0.92,  0.02,  0.05)
162:     torsion ( -1.031,  -0.193,   8.022)  ( -1.031,  -0.193,   8.023)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.822, -11.659,  -1.434)  ( -0.822, -11.658,  -1.434)  ( 0.00,  0.00,  0.00)
162:     electro (  0.014,   0.126,   0.040)  (  0.014,   0.126,   0.040)  ( 0.00,  0.00,  0.00)
162: 12       (  3.568,  15.659,  -4.221)  (  3.576,  15.666,  -4.218)  ( 0.25,  0.05,  0.08)
162:     bond    ( -4.418,   3.835,   1.873)  ( -4.410,   3.841,   1.875)  ( 0.16,  0.14,  0.07)
162:     angle   ( 15.924,  23.570, -10.828)  ( 15.925,  23.571, -10.826)  ( 0.01,  0.01,  0.02)
162:     torsion ( -1.226,  -2.564,   2.369)  ( -1.226,  -2.564,   2.369)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.828,  -8.424,   2.591)  ( -6.828,  -8.423,   2.591)  ( 0.00,  0.00,  0.00)
162:     electro (  0.116,  -0.758,  -0.227)  (  0.116,  -0.758,  -0.227)  ( 0.00,  0.00,  0.00)
162: 13       ( -7.792,   7.327, -12.878)  ( -7.790,   7.330, -12.864)  ( 0.03,  0.04,  0.11)
162:     bond    ( -1.370,  -1.218, -16.275)  ( -1.370,  -1.218, -16.261)  ( 0.01,  0.01,  0.09)
162:     angle   ( -7.318,  10.209,  -0.149)  ( -7.316,  10.212,  -0.149)  ( 0.03,  0.02,  0.00)
162:     torsion ( -1.000,   4.473,  -0.251)  ( -1.000,   4.473,  -0.251)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.157,  -5.003,   3.406)  (  2.157,  -5.003,   3.406)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.261,  -1.134,   0.390)  ( -0.261,  -1.134,   0.390)  ( 0.00,  0.00,  0.00)
162: 14       (  1.114,   2.225,  12.550)  (  1.117,   2.229,  12.563)  ( 0.24,  0.19,  0.10)
162:     bond    ( -0.918,   5.582,  12.387)  ( -0.918,   5.584,  12.399)  ( 0.01,  0.04,  0.09)
162:     angle   (  4.322,  -6.752,   3.360)  (  4.325,  -6.750,   3.361)  ( 0.06,  0.03,  0.01)
162:     torsion ( -1.605,   4.216,  -2.018)  ( -1.605,   4.216,  -2.018)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.450,  -1.094,  -1.045)  ( -0.449,  -1.094,  -1.045)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.235,   0.273,  -0.135)  ( -0.235,   0.273,  -0.135)  ( 0.00,  0.00,  0.00)
162: 15       (  0.602,   4.550, -10.731)  (  0.605,   4.559, -10.723)  ( 0.18,  0.19,  0.07)
162:     bond    (  2.067,   8.217,  -7.378)  (  2.068,   8.225,  -7.372)  ( 0.03,  0.09,  0.08)
162:     angle   ( -3.740,   0.483,  -0.510)  ( -3.737,   0.484,  -0.509)  ( 0.06,  0.05,  0.06)
162:     torsion (  2.245,  -3.016,  -2.735)  (  2.245,  -3.016,  -2.735)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.402,  -1.119,   0.139)  (  0.402,  -1.119,   0.139)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.373,  -0.015,  -0.247)  ( -0.373,  -0.015,  -0.247)  ( 0.00,  0.00,  0.00)
162: 16       (-12.334, -24.086,  -1.982)  (-12.320, -24.082,  -1.981)  ( 0.11,  0.02,  0.05)
162:     bond    ( -5.657,   1.477,  -0.634)  ( -5.643,   1.478,  -0.634)  ( 0.24,  0.06,  0.01)
162:     angle   ( -6.330, -25.114,  -2.201)  ( -6.330, -25.111,  -2.201)  ( 0.00,  0.01,  0.00)
162:     torsion ( -0.132,  -0.056,   1.045)  ( -0.132,  -0.056,   1.045)  ( 0.00,  0.00,  0.09)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.071,  -0.141,  -0.005)  (  0.072,  -0.141,  -0.005)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.286,  -0.251,  -0.186)  ( -0.286,  -0.251,  -0.186)  ( 0.00,  0.00,  0.00)
162: 17       ( 17.663,   7.046,   3.608)  ( 17.667,   7.061,   3.610)  ( 0.02,  0.21,  0.04)
162:     bond    ( -0.471,   5.579,   0.247)  ( -0.471,   5.593,   0.247)  ( 0.00,  0.26,  0.00)
162:     angle   ( 18.656,   1.475,   2.171)  ( 18.659,   1.475,   2.171)  ( 0.02,  0.00,  0.00)
162:     torsion ( -0.179,  -0.085,   1.574)  ( -0.178,  -0.085,   1.575)  ( 0.00,  0.00,  0.10)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.455,   0.245,  -0.061)  ( -0.455,   0.245,  -0.061)  ( 0.00,  0.00,  0.00)
162:     electro (  0.112,  -0.167,  -0.323)  (  0.112,  -0.167,  -0.323)  ( 0.00,  0.00,  0.00)
162: 18       (-13.242,  87.357, -29.874)  (-13.213,  87.386, -29.846)  ( 0.22,  0.03,  0.09)
162:     bond    (-34.100,  60.048, -72.323)  (-34.081,  60.067, -72.305)  ( 0.06,  0.03,  0.03)
162:     angle   ( 20.407,  22.661,  45.180)  ( 20.415,  22.670,  45.189)  ( 0.04,  0.04,  0.02)
162:     torsion ( -1.100,  -1.323,   1.620)  ( -1.100,  -1.322,   1.620)  ( 0.03,  0.05,  0.02)
162:     oop     (  0.091,   0.116,   0.000)  (  0.091,   0.116,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.333,   7.454,  -6.595)  ( -0.332,   7.454,  -6.594)  ( 0.01,  0.00,  0.00)
162:     electro (  1.794,  -1.599,   2.243)  (  1.794,  -1.599,   2.243)  ( 0.00,  0.00,  0.00)
162: 19       ( 29.669, -31.984, -46.828)  ( 29.694, -31.966, -46.791)  ( 0.09,  0.06,  0.08)
162:     bond    ( 26.636, -22.059, -27.238)  ( 26.652, -22.049, -27.209)  ( 0.06,  0.05,  0.11)
162:     angle   (  5.202, -28.237, -23.056)  (  5.209, -28.232, -23.047)  ( 0.13,  0.02,  0.04)
162:     torsion ( -1.939,  -2.164,  -0.218)  ( -1.937,  -2.161,  -0.218)  ( 0.09,  0.13,  0.00)
162:     oop     ( -0.059,  -0.068,   0.005)  ( -0.058,  -0.068,   0.005)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.171,  20.586,   3.668)  ( -0.170,  20.586,   3.668)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.001,  -0.042,   0.010)  ( -0.001,  -0.042,   0.010)  ( 0.00,  0.00,  0.00)
162: 20       ( -0.167, -60.187,   5.067)  ( -0.150, -60.151,   5.095)  ( 0.28,  0.06,  0.56)
162:     bond    (-13.335, -59.208,  11.009)  (-13.323, -59.181,  11.030)  ( 0.09,  0.05,  0.19)
162:     angle   (-17.127,  -8.764, -10.876)  (-17.123,  -8.755, -10.870)  ( 0.02,  0.10,  0.06)
162:     torsion (  0.375,  -0.371,  -0.858)  (  0.375,  -0.371,  -0.858)  ( 0.02,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 22.586,   9.292,   2.173)  ( 22.587,   9.293,   2.173)  ( 0.00,  0.00,  0.01)
162:     electro (  7.334,  -1.138,   3.619)  (  7.334,  -1.138,   3.619)  ( 0.00,  0.00,  0.00)
162: 21       (  4.402,  -4.198, -11.567)  (  4.405,  -4.195, -11.553)  ( 0.07,  0.07,  0.12)
162:     bond    ( -0.975,  -1.277,  -9.190)  ( -0.975,  -1.276,  -9.176)  ( 0.02,  0.02,  0.15)
162:     angle   ( 11.082, -14.956,   0.902)  ( 11.085, -14.954,   0.903)  ( 0.02,  0.02,  0.01)
162:     torsion ( -0.864,  -1.105,   0.245)  ( -0.864,  -1.104,   0.245)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -7.242,  11.589,  -2.591)  ( -7.242,  11.589,  -2.591)  ( 0.01,  0.00,  0.00)
162:     electro (  2.400,   1.551,  -0.934)  (  2.400,   1.551,  -0.934)  ( 0.00,  0.00,  0.00)
162: 22       ( -5.881,   3.913,  18.792)  ( -5.855,   3.931,  18.829)  ( 0.44,  0.45,  0.20)
162:     bond    ( 14.134,  -9.305,  74.126)  ( 14.151,  -9.296,  74.154)  ( 0.12,  0.11,  0.04)
162:     angle   (-12.973,   9.627, -31.669)  (-12.967,   9.631, -31.661)  ( 0.05,  0.04,  0.03)
162:     torsion (  1.582,   1.882,   0.008)  (  1.584,   1.886,   0.008)  ( 0.12,  0.20,  0.00)
162:     oop     (  0.113,   0.142,   0.000)  (  0.113,   0.142,   0.000)  ( 0.00,  0.01,  0.00)
162:     vdw     (-10.457,   3.861, -23.405)  (-10.457,   3.861, -23.404)  ( 0.00,  0.01,  0.00)
162:     electro (  1.720,  -2.294,  -0.268)  (  1.720,  -2.294,  -0.268)  ( 0.00,  0.00,  0.00)
162: 23       (-13.869,   8.487,  10.338)  (-13.842,   8.506,  10.373)  ( 0.19,  0.21,  0.34)
162:     bond    (-21.743,  16.102,  21.542)  (-21.724,  16.113,  21.567)  ( 0.09,  0.07,  0.11)
162:     angle   (  6.141,  -4.220,  14.969)  (  6.146,  -4.217,  14.978)  ( 0.08,  0.07,  0.06)
162:     torsion ( -0.978,  -1.333,   0.050)  ( -0.976,  -1.329,   0.050)  ( 0.20,  0.28,  0.00)
162:     oop     ( -0.037,  -0.048,  -0.000)  ( -0.037,  -0.048,  -0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.075,  -1.504, -26.495)  (  2.075,  -1.504, -26.494)  ( 0.00,  0.00,  0.00)
162:     electro (  0.673,  -0.510,   0.273)  (  0.673,  -0.510,   0.273)  ( 0.00,  0.00,  0.00)
162: 24       ( -2.882,   2.485,   6.856)  ( -2.857,   2.502,   6.893)  ( 0.86,  0.69,  0.55)
162:     bond    ( -9.995,   7.266,  14.600)  ( -9.979,   7.275,  14.630)  ( 0.16,  0.13,  0.20)
162:     angle   ( -9.417,   7.281,   0.557)  ( -9.411,   7.285,   0.565)  ( 0.06,  0.05,  0.46)
162:     torsion (  0.613,   0.764,   0.016)  (  0.615,   0.768,   0.016)  ( 0.13,  0.28,  0.00)
162:     oop     ( -0.209,  -0.275,  -0.005)  ( -0.208,  -0.274,  -0.005)  ( 0.01,  0.01,  0.00)
162:     vdw     ( 16.237, -12.583,  -8.371)  ( 16.237, -12.583,  -8.371)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.111,   0.031,   0.058)  ( -0.111,   0.031,   0.058)  ( 0.00,  0.00,  0.00)
162: 25       (-13.655,  11.112,  -5.298)  (-13.630,  11.129,  -5.261)  ( 0.18,  0.16,  0.70)
162:     bond    (-36.528,  28.512,   0.130)  (-36.511,  28.523,   0.158)  ( 0.05,  0.04,  0.36)
162:     angle   (  5.526,  -3.478, -23.723)  (  5.531,  -3.475, -23.714)  ( 0.10,  0.10,  0.04)
162:     torsion ( -0.331,  -0.396,   0.008)  ( -0.329,  -0.392,   0.008)  ( 0.07,  0.14,  0.00)
162:     oop     (  0.226,   0.291,   0.007)  (  0.227,   0.292,   0.007)  ( 0.01,  0.01,  0.00)
162:     vdw     ( 17.509, -13.776,  18.233)  ( 17.510, -13.776,  18.233)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.058,  -0.042,   0.047)  ( -0.058,  -0.042,   0.047)  ( 0.00,  0.00,  0.00)
162: 26       ( 11.326, -10.841, -10.424)  ( 11.351, -10.824, -10.389)  ( 0.22,  0.16,  0.33)
162:     bond    (-10.517,   8.981, -69.682)  (-10.498,   8.993, -69.658)  ( 0.18,  0.13,  0.03)
162:     angle   ( 24.194, -18.411,  33.216)  ( 24.197, -18.409,  33.227)  ( 0.01,  0.01,  0.03)
162:     torsion ( -2.207,  -3.030,  -0.271)  ( -2.206,  -3.027,  -0.271)  ( 0.08,  0.09,  0.00)
162:     oop     ( -0.486,  -0.621,  -0.019)  ( -0.485,  -0.620,  -0.019)  ( 0.01,  0.02,  0.00)
162:     vdw     (  0.550,   1.323,  26.631)  (  0.550,   1.323,  26.631)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.207,   0.917,  -0.300)  ( -0.207,   0.917,  -0.300)  ( 0.00,  0.00,  0.00)
162: 27       (  2.749,   1.070,   9.025)  (  2.757,   1.075,   9.033)  ( 0.26,  0.44,  0.09)
162:     bond    (  3.982,  -2.885,   4.072)  (  3.988,  -2.882,   4.078)  ( 0.14,  0.10,  0.14)
162:     angle   ( -7.527,   5.758,  11.429)  ( -7.527,   5.758,  11.431)  ( 0.01,  0.01,  0.02)
162:     torsion (  4.283,   5.791,  -0.095)  (  4.284,   5.792,  -0.095)  ( 0.01,  0.02,  0.00)
162:     oop     (  0.007,   0.010,  -0.000)  (  0.007,   0.010,  -0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.020, -10.163,  -7.420)  (  5.020, -10.163,  -7.420)  ( 0.00,  0.00,  0.00)
162:     electro ( -3.016,   2.559,   1.039)  ( -3.016,   2.559,   1.039)  ( 0.00,  0.00,  0.00)
162: 28       ( -1.597,   3.334,   2.891)  ( -1.590,   3.339,   2.898)  ( 0.44,  0.15,  0.26)
162:     bond    ( -1.478,   1.180,  -1.445)  ( -1.473,   1.184,  -1.440)  ( 0.38,  0.30,  0.37)
162:     angle   ( -3.422,   2.568,   5.608)  ( -3.421,   2.569,   5.610)  ( 0.02,  0.02,  0.04)
162:     torsion (  0.962,   1.225,   0.023)  (  0.962,   1.226,   0.023)  ( 0.05,  0.07,  0.00)
162:     oop     (  0.025,   0.031,   0.001)  (  0.025,   0.031,   0.001)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.500,  -1.901,  -1.857)  (  2.500,  -1.901,  -1.857)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.183,   0.230,   0.561)  ( -0.183,   0.230,   0.561)  ( 0.00,  0.00,  0.00)
162: 29       ( -8.733,  10.082,  10.040)  ( -8.731,  10.083,  10.053)  ( 0.02,  0.01,  0.14)
162:     bond    (  0.030,  -0.009,  -0.395)  (  0.030,  -0.009,  -0.381)  ( 0.00,  0.00,  0.53)
162:     angle   (-24.364,  18.884,  -2.337)  (-24.363,  18.885,  -2.337)  ( 0.00,  0.00,  0.00)
162:     torsion (  2.811,   3.678,   0.138)  (  2.811,   3.678,   0.138)  ( 0.01,  0.01,  0.00)
162:     oop     (  0.174,   0.219,   0.009)  (  0.174,   0.219,   0.009)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.058, -12.723,  12.965)  ( 13.058, -12.723,  12.965)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.441,   0.033,  -0.340)  ( -0.441,   0.033,  -0.340)  ( 0.00,  0.00,  0.00)
162: 30       ( -0.964,  -2.347,   0.145)  ( -0.961,  -2.344,   0.159)  ( 0.28,  0.10,  0.21)
162:     bond    ( -0.121,   0.081,   1.060)  ( -0.121,   0.082,   1.075)  ( 0.00,  0.00,  1.33)
162:     angle   (  0.934,  -0.710,   0.159)  (  0.936,  -0.709,   0.159)  ( 0.20,  0.09,  0.00)
162:     torsion ( -1.521,  -2.022,  -0.018)  ( -1.520,  -2.021,  -0.018)  ( 0.03,  0.04,  0.00)
162:     oop     (  0.048,   0.063,   0.001)  (  0.048,   0.063,   0.001)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.034,  -0.007,  -0.386)  (  0.034,  -0.007,  -0.386)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.338,   0.248,  -0.671)  ( -0.338,   0.248,  -0.671)  ( 0.00,  0.00,  0.00)
162: 31       ( -0.226,  -0.578,  -0.060)  ( -0.218,  -0.573,  -0.055)  ( 0.20,  0.33,  0.03)
162:     bond    ( -0.498,   0.367,   0.247)  ( -0.491,   0.372,   0.249)  ( 0.39,  0.17,  0.05)
162:     angle   (  0.007,  -0.017,   0.037)  (  0.008,  -0.017,   0.040)  ( 0.00,  0.00,  0.01)
162:     torsion ( -0.479,  -0.623,  -0.015)  ( -0.479,  -0.622,  -0.015)  ( 0.02,  0.05,  0.00)
162:     oop     (  0.104,   0.136,   0.002)  (  0.104,   0.136,   0.002)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.295,  -0.221,  -0.167)  (  0.295,  -0.221,  -0.167)  ( 0.00,  0.00,  0.00)
162:     electro (  0.345,  -0.221,  -0.163)  (  0.345,  -0.221,  -0.163)  ( 0.00,  0.00,  0.00)
162: 32       (-25.368, -58.445,  -4.168)  (-25.360, -58.428,  -4.159)  ( 0.03,  0.03,  0.21)
162:     bond    (-37.897, -54.343, -32.702)  (-37.889, -54.328, -32.697)  ( 0.02,  0.03,  0.02)
162:     angle   ( -0.340,   0.990,  -1.257)  ( -0.340,   0.992,  -1.254)  ( 0.01,  0.15,  0.18)
163:     bond    (101.827, -37.869, 196.831)  (101.834, -37.846, 196.857)  ( 0.01,  0.06,  0.01)
163:     angle   (-36.650, -45.180, -53.604)  (-36.647, -45.170, -53.601)  ( 0.01,  0.02,  0.00)
163:     torsion ( -7.700,   2.459,   5.024)  ( -7.698,   2.459,   5.024)  ( 0.02,  0.01,  0.01)
163:     vdw     (  3.258,   7.764,  -3.454)  (  3.258,   7.764,  -3.454)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 34       ( 10.585,   0.388,  17.616)  ( 10.635,   0.436,  17.664)  ( 0.47,  1.87,  0.28)
163:     bond    ( -0.500, -12.373,   9.898)  ( -0.463, -12.338,   9.934)  ( 1.85,  0.29,  0.36)
163:     angle   (  9.648,  15.499,  18.299)  (  9.659,  15.512,  18.311)  ( 0.12,  0.08,  0.07)
163:     torsion (  4.643,  -2.560,  -5.629)  (  4.644,  -2.560,  -5.628)  ( 0.02,  0.00,  0.01)
163:     vdw     ( -3.206,  -0.178,  -4.952)  ( -3.206,  -0.178,  -4.952)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 35       (-15.954,  -1.580, -30.115)  (-15.945,  -1.577, -30.093)  ( 0.06,  0.20,  0.07)
163:     bond    (-16.793,  -0.896, -30.319)  (-16.787,  -0.897, -30.298)  ( 0.04,  0.01,  0.07)
163:     angle   (  1.413,  -0.380,  -0.775)  (  1.417,  -0.376,  -0.774)  ( 0.22,  0.12,  0.08)
163:     torsion ( -0.703,   0.187,   0.384)  ( -0.703,   0.187,   0.384)  ( 0.01,  0.00,  0.00)
163:     vdw     (  0.129,  -0.491,   0.595)  (  0.129,  -0.491,   0.595)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 36       (  3.892,  26.603,  30.203)  (  3.901,  26.617,  30.215)  ( 0.24,  0.05,  0.04)
163:     bond    (-14.715,  20.399,  18.854)  (-14.709,  20.410,  18.864)  ( 0.04,  0.06,  0.05)
163:     angle   ( 19.840,   2.318,  12.960)  ( 19.843,   2.320,  12.962)  ( 0.02,  0.08,  0.02)
163:     torsion (  1.928,   0.401,   1.070)  (  1.929,   0.401,   1.070)  ( 0.01,  0.00,  0.01)
163:     vdw     ( -3.162,   3.486,  -2.682)  ( -3.162,   3.486,  -2.682)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 37       ( 35.452,  17.308,  10.249)  ( 35.477,  17.313,  10.254)  ( 0.07,  0.03,  0.05)
163:     bond    ( 32.455,   9.782,  -5.786)  ( 32.479,   9.784,  -5.785)  ( 0.08,  0.02,  0.01)
163:     angle   (  2.700,   4.121,  22.134)  (  2.701,   4.125,  22.137)  ( 0.01,  0.08,  0.02)
163:     torsion (  0.010,   0.083,   0.194)  (  0.010,   0.083,   0.194)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.287,   3.322,  -6.292)  (  0.287,   3.322,  -6.292)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 26 # gradients 
163: ok 27 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (230.770,  15.548,  47.534)  (230.842,  15.637,  47.545)  ( 0.03,  0.58,  0.02)
163:     bond    (121.169,  86.026,  47.443)  (121.228,  86.103,  47.449)  ( 0.05,  0.09,  0.01)
163:     angle   (114.073, -75.278,  10.957)  (114.085, -75.265,  10.959)  ( 0.01,  0.02,  0.02)
163:     torsion (  2.315,   2.076, -10.103)  (  2.315,   2.076, -10.100)  ( 0.00,  0.01,  0.02)
163:     vdw     ( -6.787,   2.723,  -0.763)  ( -6.787,   2.723,  -0.763)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       ( 31.074, -55.193,  28.644)  ( 31.177, -55.120,  28.657)  ( 0.33,  0.13,  0.05)
163:     bond    (105.357, -149.034,  -5.246)  (105.440, -148.979,  -5.239)  ( 0.08,  0.04,  0.14)
163:     angle   (-80.367, 107.149,  -3.347)  (-80.347, 107.165,  -3.343)  ( 0.02,  0.02,  0.11)
163:     torsion (  9.368,  -1.776,  23.908)  (  9.368,  -1.776,  23.910)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -3.283, -11.531,  13.329)  ( -3.283, -11.531,  13.329)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       (-236.753, -106.456, -95.205)  (-236.677, -106.370, -95.193)  ( 0.03,  0.08,  0.01)
163:     bond    (-177.229, -86.227, -64.766)  (-177.165, -86.154, -64.759)  ( 0.04,  0.08,  0.01)
163:     angle   (-70.025, -29.241, -13.562)  (-70.013, -29.228, -13.560)  ( 0.02,  0.04,  0.02)
163:     torsion (  4.874,   3.954, -19.458)  (  4.874,   3.954, -19.456)  ( 0.00,  0.00,  0.01)
163:     vdw     (  5.628,   5.057,   2.581)  (  5.628,   5.057,   2.581)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (-126.999, -160.981, -84.433)  (-126.935, -160.889, -84.419)  ( 0.05,  0.06,  0.02)
163:     bond    (-234.447,  24.970, -55.738)  (-234.396,  25.050, -55.729)  ( 0.02,  0.32,  0.02)
163:     angle   ( 99.611, -183.568, -21.468)  ( 99.624, -183.556, -21.465)  ( 0.01,  0.01,  0.01)
163:     torsion (  1.884,   1.751,  -6.942)  (  1.884,   1.751,  -6.941)  ( 0.01,  0.01,  0.03)
163:     vdw     (  5.953,  -4.134,  -0.285)  (  5.953,  -4.134,  -0.285)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-22.500, 327.225,  82.973)  (-22.421, 327.266,  82.984)  ( 0.35,  0.01,  0.01)
163:     bond    ( 38.244, 121.228,  41.806)  ( 38.319, 121.256,  41.813)  ( 0.20,  0.02,  0.02)
163:     angle   (-54.031, 208.040,  36.291)  (-54.027, 208.053,  36.292)  ( 0.01,  0.01,  0.00)
163:     torsion ( -1.949,  -1.946,   7.573)  ( -1.949,  -1.946,   7.574)  ( 0.00,  0.01,  0.02)
163:     vdw     ( -4.764,  -0.097,  -2.696)  ( -4.764,  -0.097,  -2.696)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       ( 32.880, -339.346, -69.860)  ( 32.955, -339.260, -69.851)  ( 0.23,  0.03,  0.01)
163:     bond    ( 86.762, -175.637, -21.392)  ( 86.824, -175.563, -21.387)  ( 0.07,  0.04,  0.02)
163:     angle   (-51.939, -157.049, -49.092)  (-51.926, -157.038, -49.090)  ( 0.03,  0.01,  0.00)
163:     torsion ( -0.579,  -0.614,   2.947)  ( -0.579,  -0.614,   2.949)  ( 0.01,  0.01,  0.08)
163:     vdw     ( -0.865,  -6.374,  -2.432)  ( -0.865,  -6.374,  -2.432)  ( 0.02,  0.00,  0.00)
163:     electro ( -0.499,   0.329,   0.109)  ( -0.499,   0.329,   0.109)  ( 0.00,  0.00,  0.00)
163:  7       (133.858,  88.163,  -4.538)  (133.901,  88.209,  -4.499)  ( 0.03,  0.05,  0.86)
163:     bond    (120.107, -51.316, -45.582)  (120.140, -51.282, -45.553)  ( 0.03,  0.07,  0.06)
163:     angle   ( 14.796, 145.842,  41.461)  ( 14.806, 145.853,  41.471)  ( 0.07,  0.01,  0.02)
163:     torsion ( -0.612,  -0.558,   2.434)  ( -0.612,  -0.558,   2.435)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.433,  -5.805,  -2.852)  ( -0.433,  -5.804,  -2.852)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       ( -8.961,  88.814,  12.903)  ( -8.949,  88.851,  12.924)  ( 0.13,  0.04,  0.16)
163:     bond    (-20.203, 101.675,  18.600)  (-20.201, 101.710,  18.616)  ( 0.01,  0.04,  0.09)
163:     angle   ( 38.037, -13.083,   7.156)  ( 38.047, -13.081,   7.160)  ( 0.03,  0.01,  0.06)
163:     torsion (-21.767,  -2.156,  -9.606)  (-21.768,  -2.156,  -9.606)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -5.028,   2.378,  -3.247)  ( -5.027,   2.378,  -3.247)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  9       ( -1.781,  27.438,   6.210)  ( -1.735,  27.485,   6.259)  ( 2.59,  0.17,  0.79)
163:     bond    ( -2.842, -29.193,  13.720)  ( -2.805, -29.158,  13.757)  ( 1.28,  0.12,  0.27)
163:     angle   ( -6.775,  56.706,  -9.037)  ( -6.765,  56.718,  -9.025)  ( 0.15,  0.02,  0.13)
163:     torsion (  8.642,  -0.633,   2.133)  (  8.642,  -0.634,   2.133)  ( 0.01,  0.02,  0.01)
163:     vdw     ( -0.806,   0.558,  -0.606)  ( -0.806,   0.558,  -0.606)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 10       (121.026,  97.357,  77.519)  (121.076,  97.405,  77.566)  ( 0.04,  0.05,  0.06)
163:     bond    ( 55.916,  58.881,  22.131)  ( 55.952,  58.916,  22.168)  ( 0.06,  0.06,  0.17)
163:     angle   ( 65.497,  37.697,  49.927)  ( 65.510,  37.710,  49.937)  ( 0.02,  0.04,  0.02)
163:     torsion ( -1.399,  -1.243,   5.820)  ( -1.399,  -1.243,   5.820)  ( 0.00,  0.00,  0.01)
163:     vdw     (  1.013,   2.022,  -0.358)  (  1.013,   2.022,  -0.358)  ( 0.01,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       (-178.441,  56.536, -12.123)  (-178.391,  56.584, -12.076)  ( 0.03,  0.09,  0.39)
163:     bond    (-113.413,  39.694, -12.800)  (-113.376,  39.729, -12.764)  ( 0.03,  0.09,  0.28)
163:     angle   (-63.583,  15.799,   0.304)  (-63.571,  15.813,   0.315)  ( 0.02,  0.08,  0.31)
163:     torsion ( -0.164,  -0.169,   0.725)  ( -0.164,  -0.169,   0.726)  ( 0.00,  0.00,  0.03)
163:     vdw     ( -1.281,   1.211,  -0.352)  ( -1.281,   1.211,  -0.352)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (-309.585, 168.570, -61.479)  (-309.474, 168.656, -61.471)  ( 0.04,  0.05,  0.01)
163:     bond    (-261.125, 204.404, -58.888)  (-261.025, 204.475, -58.884)  ( 0.04,  0.03,  0.01)
163:     angle   (-44.453, -44.369,  -0.417)  (-44.442, -44.354,  -0.417)  ( 0.03,  0.03,  0.01)
163:     torsion (  0.061,  -0.086,  -0.605)  (  0.061,  -0.086,  -0.601)  ( 0.00,  0.00,  0.25)
163:     vdw     ( -4.068,   8.620,  -1.569)  ( -4.068,   8.620,  -1.569)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 13       ( 43.845, -102.204,  20.477)  ( 43.934, -102.124,  20.483)  ( 0.20,  0.08,  0.03)
163:     bond    (117.722, -98.093,  27.700)  (117.798, -98.025,  27.703)  ( 0.06,  0.07,  0.01)
163:     angle   (-74.835,  -7.801,  -6.628)  (-74.822,  -7.789,  -6.628)  ( 0.02,  0.15,  0.00)
163:     torsion (  0.024,  -0.039,  -0.234)  (  0.024,  -0.039,  -0.230)  ( 0.00,  0.00,  0.08)
163:     vdw     (  2.133,   2.565,  -0.133)  (  2.133,   2.565,  -0.133)  ( 0.00,  0.00,  0.00)
163:     electro ( -1.199,   1.164,  -0.229)  ( -1.199,   1.164,  -0.229)  ( 0.00,  0.00,  0.00)
163: 14       (-36.109, -48.858,   3.417)  (-36.039, -48.759,   3.424)  ( 0.20,  0.20,  0.21)
163:     bond    (-115.278, -76.367,  -0.800)  (-115.221, -76.279,  -0.797)  ( 0.05,  0.11,  0.30)
163:     angle   ( 71.512,  27.575,   3.506)  ( 71.525,  27.586,   3.506)  ( 0.02,  0.04,  0.01)
163:     torsion (  0.015,  -0.022,  -0.148)  (  0.015,  -0.022,  -0.145)  ( 0.00,  0.00,  0.05)
163:     vdw     (  8.156,  -0.533,   0.952)  (  8.157,  -0.533,   0.952)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.515,   0.489,  -0.092)  ( -0.515,   0.489,  -0.092)  ( 0.00,  0.00,  0.00)
163: 15       ( 33.113,  48.660,  -4.041)  ( 33.209,  48.734,  -4.035)  ( 0.29,  0.15,  0.17)
163:     bond    ( 31.105, 131.273, -16.544)  ( 31.189, 131.334, -16.541)  ( 0.27,  0.05,  0.02)
163:     angle   ( -1.857, -74.929,  11.143)  ( -1.845, -74.917,  11.143)  ( 0.64,  0.02,  0.00)
163:     torsion (  0.027,  -0.039,  -0.263)  (  0.027,  -0.039,  -0.260)  ( 0.00,  0.00,  0.08)
163:     vdw     (  3.027,  -7.745,   1.526)  (  3.027,  -7.745,   1.526)  ( 0.00,  0.00,  0.00)
163:     electro (  0.811,   0.101,   0.097)  (  0.811,   0.101,   0.097)  ( 0.00,  0.00,  0.00)
163: 16       (121.317,  -1.933,  14.143)  (121.404,  -1.852,  14.149)  ( 0.07,  4.20,  0.04)
163:     bond    (133.239, -68.848,  24.454)  (133.314, -68.779,  24.457)  ( 0.06,  0.10,  0.01)
163:     angle   (-10.468,  68.924, -10.394)  (-10.456,  68.937, -10.394)  ( 0.12,  0.02,  0.00)
163:     torsion (  0.005,  -0.025,  -0.143)  (  0.005,  -0.024,  -0.140)  ( 0.00,  0.00,  0.05)
163:     vdw     ( -2.434,  -2.403,   0.153)  ( -2.434,  -2.403,   0.153)  ( 0.00,  0.00,  0.00)
163:     electro (  0.975,   0.417,   0.073)  (  0.975,   0.417,   0.073)  ( 0.00,  0.00,  0.00)
163: 17       (-325.590, 298.031, -75.555)  (-325.500, 298.136, -75.547)  ( 0.03,  0.04,  0.01)
163:     bond    (-371.855, 211.563, -66.837)  (-371.779, 211.658, -66.833)  ( 0.02,  0.04,  0.01)
163:     angle   ( 55.346,  85.009,  -7.558)  ( 55.360,  85.020,  -7.558)  ( 0.03,  0.01,  0.00)
163:     torsion (  0.036,  -0.026,  -0.174)  (  0.037,  -0.026,  -0.170)  ( 0.00,  0.00,  0.06)
163:     vdw     ( -9.118,   1.484,  -0.986)  ( -9.118,   1.484,  -0.986)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 18       (164.570, -216.301,  59.167)  (164.657, -216.222,  59.174)  ( 0.05,  0.04,  0.01)
163:     bond    (138.178, -139.130,  38.931)  (138.251, -139.065,  38.934)  ( 0.05,  0.05,  0.01)
163:     angle   ( 25.727, -77.475,  12.790)  ( 25.740, -77.460,  12.791)  ( 0.05,  0.02,  0.00)
163:     torsion ( -0.695,   0.990,   6.900)  ( -0.695,   0.990,   6.903)  ( 0.00,  0.01,  0.04)
163:     vdw     (  2.153,  -5.046,   0.612)  (  2.153,  -5.046,   0.612)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.792,   4.359,  -0.065)  ( -0.792,   4.359,  -0.065)  ( 0.00,  0.00,  0.00)
163: 19       (-965.766, 2663.086, -575.860)  (-965.690, 2663.170, -575.850)  ( 0.01,  0.00,  0.00)
163:     bond    (-1418.917, 2382.703, -443.048)  (-1418.856, 2382.777, -443.040)  ( 0.00,  0.00,  0.00)
163:     angle   (447.095, 281.029, -129.732)  (447.109, 281.038, -129.733)  ( 0.00,  0.00,  0.00)
163:     torsion (  0.024,   0.039,   0.308)  (  0.024,   0.039,   0.309)  ( 0.00,  0.00,  0.05)
163:     vdw     (  6.033,  -0.685,  -3.387)  (  6.033,  -0.685,  -3.387)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       (114.232, -437.606,  83.440)  (114.289, -437.539,  83.444)  ( 0.05,  0.02,  0.00)
163:     bond    (358.499, -354.381,  86.813)  (358.545, -354.320,  86.816)  ( 0.01,  0.02,  0.00)
163:     angle   (-245.243, -83.323,  -1.702)  (-245.232, -83.318,  -1.702)  ( 0.00,  0.01,  0.01)
163:     torsion (  0.110,  -0.237,  -1.547)  (  0.110,  -0.237,  -1.546)  ( 0.00,  0.00,  0.07)
163:     vdw     (  0.866,   0.335,  -0.124)  (  0.866,   0.335,  -0.124)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 21       (1412.002, -2219.798, 590.177)  (1412.038, -2219.762, 590.203)  ( 0.00,  0.00,  0.00)
163:     bond    (1625.070, -1930.637, 478.096)  (1625.097, -1930.605, 478.116)  ( 0.00,  0.00,  0.00)
163:     angle   (-197.172, -290.361, 113.648)  (-197.163, -290.357, 113.653)  ( 0.00,  0.00,  0.00)
163:     torsion (  0.078,  -0.157,  -1.123)  (  0.078,  -0.157,  -1.123)  ( 0.00,  0.00,  0.02)
163:     vdw     (-21.130,   1.015,  -0.657)  (-21.129,   1.015,  -0.657)  ( 0.00,  0.00,  0.00)
163:     electro (  5.156,   0.342,   0.213)  (  5.156,   0.342,   0.213)  ( 0.00,  0.00,  0.00)
163: 22       (-366.659, -78.515, -15.951)  (-366.643, -78.496, -15.948)  ( 0.00,  0.02,  0.02)
163:     bond    (-171.955, -219.996, -39.220)  (-171.945, -219.980, -39.219)  ( 0.01,  0.01,  0.00)
163:     angle   (-23.182,  13.743,  24.534)  (-23.181,  13.744,  24.536)  ( 0.01,  0.01,  0.01)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (-160.520, 122.573,  -1.512)  (-160.516, 122.575,  -1.512)  ( 0.00,  0.00,  0.03)
163:     electro (-11.002,   5.165,   0.246)  (-11.002,   5.165,   0.246)  ( 0.00,  0.00,  0.00)
163: 23       (-22.584,  54.833,   6.425)  (-22.566,  54.848,   6.428)  ( 0.08,  0.03,  0.05)
163:     bond    ( 15.086,  13.833,   6.673)  ( 15.101,  13.845,   6.676)  ( 0.09,  0.09,  0.04)
163:     angle   (-45.622,  49.256,   1.036)  (-45.620,  49.258,   1.036)  ( 0.01,  0.01,  0.01)
163:     torsion (  0.047,   0.044,  -0.198)  (  0.047,   0.044,  -0.198)  ( 0.00,  0.00,  0.01)
163:     vdw     (  7.493,  -8.141,  -1.046)  (  7.493,  -8.141,  -1.046)  ( 0.00,  0.00,  0.00)
163:     electro (  0.412,  -0.158,  -0.040)  (  0.412,  -0.158,  -0.040)  ( 0.00,  0.00,  0.00)
163: 24       (-16.608, -19.937, -12.909)  (-16.604, -19.911, -12.905)  ( 0.02,  0.13,  0.03)
163:     bond    ( -3.330, -18.505,   2.198)  ( -3.329, -18.479,   2.198)  ( 0.02,  0.14,  0.01)
163:     angle   (-13.113,  -0.092, -20.627)  (-13.110,  -0.092, -20.624)  ( 0.02,  0.00,  0.02)
163:     torsion (  0.001,  -0.003,  -0.022)  (  0.001,  -0.003,  -0.022)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.167,  -1.338,   5.543)  ( -0.167,  -1.338,   5.543)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 25       ( 11.683,   5.989,  18.013)  ( 11.692,   5.996,  18.033)  ( 0.07,  0.12,  0.11)
163:     bond    ( 19.057,  11.460,  31.582)  ( 19.064,  11.462,  31.601)  ( 0.03,  0.02,  0.06)
163:     angle   (-13.425,  45.799,  -8.517)  (-13.423,  45.803,  -8.516)  ( 0.02,  0.01,  0.01)
163:     torsion ( -0.014,  -0.022,   0.017)  ( -0.014,  -0.022,   0.017)  ( 0.00,  0.00,  0.00)
163:     vdw     (  6.066, -51.248,  -5.069)  (  6.066, -51.246,  -5.069)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 26       (  0.724, -29.231,  -9.886)  (  0.729, -29.220,  -9.867)  ( 0.37,  0.04,  0.20)
163:     bond    (  4.372,  -9.327, -14.621)  (  4.374,  -9.320, -14.603)  ( 0.04,  0.08,  0.13)
163:     angle   ( -0.345, -31.995,  20.315)  ( -0.342, -31.992,  20.316)  ( 0.13,  0.01,  0.00)
163:     torsion ( -6.009,   0.002,  -1.801)  ( -6.009,   0.002,  -1.801)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.706,  12.090, -13.779)  (  2.706,  12.090, -13.778)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 27       (-25.773,  20.839,  -2.648)  (-25.754,  20.850,  -2.643)  ( 0.07,  0.06,  0.18)
163:     bond    (-26.324,  19.256,  -7.192)  (-26.307,  19.266,  -7.191)  ( 0.07,  0.05,  0.02)
163:     angle   ( -1.773,  -2.324,   0.259)  ( -1.772,  -2.322,   0.263)  ( 0.07,  0.11,  0.09)
163:     torsion (  2.286,   4.628,   4.034)  (  2.286,   4.628,   4.034)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.038,  -0.721,   0.252)  (  0.038,  -0.721,   0.252)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 28       ( 31.717,  10.764,   4.950)  ( 31.735,  10.776,   4.955)  ( 0.06,  0.11,  0.10)
163:     bond    ( 24.691,  19.128,   8.139)  ( 24.707,  19.138,   8.140)  ( 0.07,  0.05,  0.02)
163:     angle   (  4.802,  -5.862,  -0.807)  (  4.803,  -5.860,  -0.803)  ( 0.04,  0.04,  0.26)
163:     torsion (  3.079,  -3.340,  -1.493)  (  3.079,  -3.340,  -1.494)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.855,   0.838,  -0.889)  ( -0.855,   0.838,  -0.889)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 29       ( 17.273,  -9.621,   3.628)  ( 17.287,  -9.611,   3.639)  ( 0.08,  0.11,  0.30)
163:     bond    ( 27.772, -19.828,  22.921)  ( 27.785, -19.821,  22.930)  ( 0.05,  0.03,  0.04)
163:     angle   ( -7.655, -43.113, -27.996)  ( -7.653, -43.111, -27.993)  ( 0.03,  0.01,  0.01)
163:     torsion ( -0.003,   0.001,   0.005)  ( -0.003,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.841,  53.319,   8.698)  ( -2.841,  53.320,   8.698)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 30       (  8.872,   4.980, -31.183)  (  8.880,   4.987, -31.164)  ( 0.10,  0.15,  0.06)
163:     bond    ( 14.300,  12.483, -24.570)  ( 14.306,  12.488, -24.553)  ( 0.04,  0.04,  0.07)
163:     angle   ( -5.491,  -6.853,  -6.683)  ( -5.488,  -6.850,  -6.681)  ( 0.05,  0.05,  0.02)
163:     torsion ( -0.006,   0.007,   0.000)  ( -0.006,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.068,  -0.657,   0.070)  (  0.068,  -0.657,   0.070)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 31       (-38.803,  21.558,  -3.759)  (-38.796,  21.575,  -3.747)  ( 0.02,  0.08,  0.31)
163:     bond    ( -9.767,  20.602,  16.092)  ( -9.764,  20.617,  16.101)  ( 0.03,  0.07,  0.06)
163:     angle   (-39.187,   1.263, -25.384)  (-39.183,   1.265, -25.382)  ( 0.01,  0.14,  0.01)
163:     torsion (  0.002,  -0.008,   0.011)  (  0.002,  -0.008,   0.011)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 10.149,  -0.299,   5.522)  ( 10.150,  -0.299,   5.522)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 32       ( -1.413, -33.007,  -7.791)  ( -1.399, -32.990,  -7.786)  ( 0.98,  0.05,  0.06)
163:     bond    (-17.356, -19.718,  -3.615)  (-17.344, -19.703,  -3.614)  ( 0.07,  0.08,  0.01)
163:     angle   ( 25.951, -21.946,  -4.917)  ( 25.953, -21.945,  -4.913)  ( 0.01,  0.01,  0.08)
163:     torsion (  0.013,   0.004,  -0.083)  (  0.013,   0.004,  -0.083)  ( 0.00,  0.00,  0.00)
163:     vdw     (-10.021,   8.654,   0.824)  (-10.021,   8.654,   0.824)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 33       ( 14.342,  25.091,  24.049)  ( 14.347,  25.101,  24.069)  ( 0.04,  0.04,  0.08)
163:     bond    ( -8.159,  14.049,  22.197)  ( -8.157,  14.056,  22.215)  ( 0.03,  0.05,  0.08)
163:     angle   ( 25.372,  11.763,   1.871)  ( 25.375,  11.766,   1.872)  ( 0.01,  0.03,  0.07)
163:     torsion ( -0.032,  -0.072,   0.034)  ( -0.032,  -0.072,   0.034)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.839,  -0.649,  -0.052)  ( -2.839,  -0.649,  -0.052)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 34       ( 14.982,  24.879, -21.566)  ( 14.985,  24.891, -21.547)  ( 0.02,  0.05,  0.09)
163:     bond    ( -1.186,  18.722, -25.133)  ( -1.186,  18.732, -25.115)  ( 0.01,  0.05,  0.07)
163:     angle   ( 16.567,   6.266,   3.891)  ( 16.570,   6.268,   3.893)  ( 0.02,  0.04,  0.04)
163:     torsion (  0.018,   0.066,   0.048)  (  0.018,   0.066,   0.048)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.417,  -0.174,  -0.372)  ( -0.417,  -0.174,  -0.372)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 35       (  4.828,   0.430,   0.212)  (  4.842,   0.451,   0.213)  ( 0.29,  0.89,  0.02)
163:     bond    (  1.611,   2.181,  -0.163)  (  1.621,   2.200,  -0.162)  ( 0.63,  0.86,  0.00)
163:     angle   (  3.124,  -2.253,   0.734)  (  3.127,  -2.251,   0.734)  ( 0.12,  0.08,  0.00)
163:     torsion (  0.021,  -0.030,  -0.197)  (  0.021,  -0.030,  -0.196)  ( 0.00,  0.00,  0.02)
163:     vdw     ( -0.881,   1.566,  -0.324)  ( -0.881,   1.566,  -0.324)  ( 0.00,  0.00,  0.00)
163:     electro (  0.953,  -1.035,   0.162)  (  0.953,  -1.035,   0.162)  ( 0.00,  0.00,  0.00)
163: 36       (-38.521,   8.137,  -5.650)  (-38.493,   8.143,  -5.648)  ( 0.07,  0.08,  0.03)
163:     bond    (-41.790,   5.311,  -5.340)  (-41.762,   5.312,  -5.339)  ( 0.07,  0.01,  0.01)
163:     angle   (  0.354,   2.444,  -0.335)  (  0.354,   2.449,  -0.335)  ( 0.00,  0.22,  0.00)
163:     torsion (  0.022,  -0.032,  -0.207)  (  0.022,  -0.032,  -0.206)  ( 0.00,  0.00,  0.01)
163:     vdw     (  2.141,   0.498,   0.160)  (  2.141,   0.498,   0.160)  ( 0.00,  0.01,  0.00)
163:     electro (  0.751,  -0.084,   0.071)  (  0.751,  -0.084,   0.071)  ( 0.00,  0.00,  0.00)
163: 37       (-21.113,  33.562,  -7.402)  (-21.104,  33.587,  -7.401)  ( 0.05,  0.07,  0.03)
163:     bond    (-17.334,  38.426,  -7.733)  (-17.329,  38.450,  -7.732)  ( 0.03,  0.06,  0.01)
163:     angle   ( -3.889,  -1.784,  -0.159)  ( -3.885,  -1.783,  -0.159)  ( 0.12,  0.05,  0.00)
163:     torsion ( -0.003,   0.004,   0.027)  ( -0.003,   0.004,   0.028)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.176,  -2.175,   0.348)  (  0.176,  -2.175,   0.348)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.062,  -0.910,   0.114)  ( -0.062,  -0.910,   0.114)  ( 0.00,  0.00,  0.00)
163: 38       ( -5.431,  -0.451,   0.024)  ( -5.417,  -0.431,   0.025)  ( 0.26,  0.91,  0.00)
163:     bond    ( -1.879,  -2.467,   0.180)  ( -1.868,  -2.448,   0.180)  ( 0.57,  0.74,  0.00)
163:     angle   ( -0.324,   0.244,   0.014)  ( -0.321,   0.246,   0.014)  ( 0.11,  0.05,  0.00)
163:     torsion ( -0.045,   0.066,   0.437)  ( -0.045,   0.066,   0.437)  ( 0.00,  0.00,  0.03)
163:     vdw     ( -1.909,   0.542,  -0.273)  ( -1.909,   0.542,  -0.273)  ( 0.00,  0.00,  0.00)
163:     electro ( -1.274,   1.163,  -0.334)  ( -1.274,   1.163,  -0.334)  ( 0.00,  0.00,  0.00)
163: 39       (204.595, -232.813,  17.423)  (204.607, -232.783,  17.424)  ( 0.01,  0.01,  0.00)
163:     bond    (-25.243, -90.642,   9.182)  (-25.240, -90.615,   9.182)  ( 0.01,  0.03,  0.01)
163:     angle   ( 46.593, -12.125,   8.430)  ( 46.598, -12.125,   8.430)  ( 0.01,  0.00,  0.00)
163:     torsion (  0.323,  -0.400,  -3.056)  (  0.323,  -0.400,  -3.055)  ( 0.00,  0.00,  0.02)
163:     vdw     (176.635, -118.304,   3.193)  (176.640, -118.302,   3.193)  ( 0.00,  0.00,  0.02)
163:     electro (  6.286, -11.341,  -0.326)  (  6.286, -11.341,  -0.326)  ( 0.00,  0.00,  0.00)
163: ok 28 # gradients 
163: ok 29 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (-483.685, -788.434, -25.900)  (-483.635, -788.379, -25.858)  ( 0.01,  0.01,  0.16)
163:     bond    (-123.483, -133.688,  12.161)  (-123.445, -133.645,  12.191)  ( 0.03,  0.03,  0.25)
163:     angle   (-359.908, -649.896, -38.074)  (-359.897, -649.884, -38.062)  ( 0.00,  0.00,  0.03)
163:     torsion (  2.101,  -1.457,   2.833)  (  2.101,  -1.457,   2.833)  ( 0.02,  0.02,  0.02)
163:     vdw     ( -2.395,  -3.392,  -2.820)  ( -2.395,  -3.392,  -2.820)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       (-150.289,  75.914, 142.318)  (-150.239,  75.954, 142.365)  ( 0.03,  0.05,  0.03)
163:     bond    (  9.834,  50.544, -146.894)  (  9.875,  50.571, -146.855)  ( 0.41,  0.05,  0.03)
163:     angle   (-153.746,  27.483, 293.328)  (-153.736,  27.495, 293.336)  ( 0.01,  0.04,  0.00)
163:     torsion ( -6.223,  -2.600,  -3.652)  ( -6.222,  -2.599,  -3.651)  ( 0.01,  0.03,  0.02)
163:     vdw     ( -0.155,   0.487,  -0.464)  ( -0.155,   0.487,  -0.464)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       (118.446, 171.114, -465.743)  (118.500, 171.156, -465.699)  ( 0.04,  0.02,  0.01)
163:     bond    (-19.118,  50.713, -154.500)  (-19.073,  50.747, -154.471)  ( 0.24,  0.07,  0.02)
163:     angle   (137.091,  91.897, -324.372)  (137.099,  91.904, -324.357)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.601,  28.940,  16.482)  ( -0.601,  28.940,  16.483)  ( 0.00,  0.00,  0.00)
163:     vdw     (  1.074,  -0.436,  -3.354)  (  1.074,  -0.436,  -3.354)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (-86.609, 439.014, 711.149)  (-86.565, 439.062, 711.205)  ( 0.05,  0.01,  0.01)
163:     bond    (-32.932,  73.361, 171.694)  (-32.901,  73.397, 171.737)  ( 0.09,  0.05,  0.03)
163:     angle   (-54.988, 361.477, 537.547)  (-54.976, 361.488, 537.560)  ( 0.02,  0.00,  0.00)
163:     torsion (  0.844,   1.591,  -0.716)  (  0.845,   1.592,  -0.716)  ( 0.04,  0.03,  0.01)
163:     vdw     (  0.467,   2.585,   2.624)  (  0.467,   2.585,   2.624)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       ( -7.567, -638.470,  59.542)  ( -7.494, -638.410,  59.578)  ( 0.97,  0.01,  0.06)
163:     bond    (236.905, -169.810,   6.565)  (236.972, -169.758,   6.592)  ( 0.03,  0.03,  0.41)
163:     angle   (-212.896, -410.032, 140.931)  (-212.889, -410.024, 140.940)  ( 0.00,  0.00,  0.01)
163:     torsion (-26.430, -66.832, -87.390)  (-26.430, -66.832, -87.390)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -5.147,   8.205,  -0.565)  ( -5.147,   8.205,  -0.565)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (228.653, 260.133,  44.807)  (228.739, 260.195,  44.834)  ( 0.04,  0.02,  0.06)
163:     bond    (-54.553, -97.251, 136.985)  (-54.476, -97.200, 137.006)  ( 0.14,  0.05,  0.02)
163:     angle   (241.657, 321.716, -125.937)  (241.665, 321.726, -125.930)  ( 0.00,  0.00,  0.00)
163:     torsion ( 33.723,  32.553,  36.486)  ( 33.724,  32.554,  36.486)  ( 0.00,  0.00,  0.00)
163:     vdw     (  8.350,   3.286,  -3.257)  (  8.350,   3.286,  -3.257)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.524,  -0.171,   0.530)  ( -0.524,  -0.171,   0.530)  ( 0.00,  0.00,  0.00)
163:  7       (-587.438, -143.305,  11.645)  (-587.363, -143.225,  11.664)  ( 0.01,  0.06,  0.17)
163:     bond    (-298.842, -73.718,  17.820)  (-298.773, -73.651,  17.834)  ( 0.02,  0.09,  0.08)
163:     angle   (-258.526, -67.862, -17.538)  (-258.520, -67.851, -17.531)  ( 0.00,  0.02,  0.04)
163:     torsion (-39.427,  -2.663,  13.927)  (-39.427,  -2.663,  13.926)  ( 0.00,  0.00,  0.01)
163:     vdw     (  9.955,   0.661,  -2.710)  (  9.955,   0.661,  -2.710)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.598,   0.279,   0.145)  ( -0.598,   0.279,   0.145)  ( 0.00,  0.00,  0.00)
163:  8       ( 45.410,  31.974, 493.709)  ( 45.471,  32.044, 493.748)  ( 0.13,  0.22,  0.01)
163:     bond    (-37.015, 339.079, 109.544)  (-36.964, 339.142, 109.578)  ( 0.14,  0.02,  0.03)
163:     angle   ( 63.762, -301.464, 382.571)  ( 63.773, -301.456, 382.577)  ( 0.02,  0.00,  0.00)
163:     torsion ( 14.673,   1.679,  -0.383)  ( 14.672,   1.679,  -0.383)  ( 0.00,  0.00,  0.02)
163:     vdw     (  3.991,  -7.321,   1.976)  (  3.991,  -7.320,   1.976)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  9       (360.867, 242.908, -676.023)  (360.927, 242.947, -675.950)  ( 0.02,  0.02,  0.01)
163:     bond    (152.916,   8.014, -198.640)  (152.966,   8.044, -198.571)  ( 0.03,  0.37,  0.03)
163:     angle   (227.853, 245.387, -443.490)  (227.864, 245.396, -443.485)  ( 0.00,  0.00,  0.00)
163:     torsion (-13.958, -16.520, -43.857)  (-13.958, -16.521, -43.857)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -5.702,   5.042,  10.533)  ( -5.702,   5.042,  10.533)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.242,   0.986,  -0.569)  ( -0.242,   0.986,  -0.569)  ( 0.00,  0.00,  0.00)
163: 10       (-111.605, -180.030, 561.474)  (-111.548, -179.947, 561.506)  ( 0.05,  0.05,  0.01)
163:     bond    ( 67.468,  54.576, -12.563)  ( 67.512,  54.651, -12.535)  ( 0.07,  0.14,  0.22)
163:     angle   (-184.159, -249.578, 505.421)  (-184.147, -249.570, 505.426)  ( 0.01,  0.00,  0.00)
163:     torsion ( 13.823,  16.842,  62.209)  ( 13.823,  16.842,  62.209)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -9.154,  -2.355,   6.685)  ( -9.154,  -2.355,   6.685)  ( 0.00,  0.00,  0.00)
163:     electro (  0.418,   0.486,  -0.279)  (  0.418,   0.486,  -0.279)  ( 0.00,  0.00,  0.00)
163: 11       ( 38.790, -27.584, -102.068)  ( 38.833, -27.533, -102.027)  ( 0.11,  0.18,  0.04)
163:     bond    (-120.065, -106.033,  79.009)  (-120.030, -105.994,  79.042)  ( 0.03,  0.04,  0.04)
163:     angle   (150.692,  64.751, -222.033)  (150.700,  64.762, -222.025)  ( 0.01,  0.02,  0.00)
163:     torsion (  7.707,  14.295,  42.537)  (  7.708,  14.295,  42.537)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.455,  -0.597,  -1.581)  (  0.455,  -0.597,  -1.581)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (315.995, -171.132, -664.068)  (316.042, -171.087, -664.013)  ( 0.01,  0.03,  0.01)
163:     bond    ( 87.522, -58.387, -171.625)  ( 87.557, -58.353, -171.583)  ( 0.04,  0.06,  0.02)
163:     angle   (229.808, -113.542, -492.188)  (229.819, -113.531, -492.175)  ( 0.00,  0.01,  0.00)
163:     torsion ( -0.960,   0.838,  -0.805)  ( -0.960,   0.839,  -0.805)  ( 0.04,  0.04,  0.01)
163:     vdw     ( -0.375,  -0.042,   0.550)  ( -0.375,  -0.042,   0.550)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 13       (222.439, -937.863, 264.573)  (222.468, -937.828, 264.632)  ( 0.01,  0.00,  0.02)
163:     bond    (-46.368, -89.865,  59.959)  (-46.335, -89.841,  60.025)  ( 0.07,  0.03,  0.11)
163:     angle   (258.667, -818.948, 227.732)  (258.669, -818.936, 227.731)  ( 0.00,  0.00,  0.00)
163:     torsion (  9.754, -28.354, -26.126)  (  9.749, -28.354, -26.131)  ( 0.06,  0.00,  0.02)
163:     vdw     (  0.300,   0.067,   3.587)  (  0.300,   0.067,   3.587)  ( 0.00,  0.00,  0.00)
163:     electro (  0.085,  -0.764,  -0.579)  (  0.085,  -0.764,  -0.579)  ( 0.00,  0.00,  0.00)
163: 14       (-757.574, 461.942, 328.683)  (-757.618, 461.994, 328.644)  ( 0.01,  0.01,  0.01)
163:     bond    (  0.586, -45.719,   2.500)  (  0.597, -45.671,   2.514)  ( 0.66,  0.11,  0.57)
163:     angle   (-779.027, 502.723, 295.552)  (-779.044, 502.728, 295.532)  ( 0.00,  0.00,  0.01)
163:     torsion ( 18.184,   6.220,  25.946)  ( 18.147,   6.220,  25.912)  ( 0.20,  0.00,  0.13)
163:     vdw     (  2.459,  -1.220,   3.406)  (  2.459,  -1.220,   3.406)  ( 0.00,  0.00,  0.00)
163:     electro (  0.223,  -0.062,   1.279)  (  0.223,  -0.062,   1.279)  ( 0.00,  0.00,  0.00)
163: 15       ( 96.111, 521.505, -194.221)  ( 96.129, 521.512, -194.178)  ( 0.02,  0.00,  0.02)
163:     bond    (  1.977,   0.804,   3.060)  (  1.996,   0.807,   3.104)  ( 0.92,  0.24,  1.44)
163:     angle   (106.071, 506.715, -199.983)  (106.072, 506.720, -199.984)  ( 0.00,  0.00,  0.00)
163:     torsion (-10.804,  13.214,   3.508)  (-10.804,  13.214,   3.508)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.309,   2.550,  -1.323)  (  0.309,   2.550,  -1.323)  ( 0.00,  0.00,  0.00)
163:     electro ( -1.443,  -1.778,   0.516)  ( -1.443,  -1.778,   0.516)  ( 0.00,  0.00,  0.00)
163: 16       (109.581, 246.406, -35.465)  (109.607, 246.412, -35.461)  ( 0.02,  0.00,  0.01)
163:     bond    ( 69.487, -11.705,  -1.559)  ( 69.514, -11.704,  -1.559)  ( 0.04,  0.01,  0.02)
163:     angle   ( 43.423, 262.571, -35.069)  ( 43.423, 262.575, -35.066)  ( 0.00,  0.00,  0.01)
163:     torsion (  0.063,   0.120,   1.925)  (  0.063,   0.120,   1.925)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -3.393,  -4.580,  -0.761)  ( -3.393,  -4.579,  -0.761)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 17       (174.960, 176.025, -89.335)  (174.964, 176.039, -89.318)  ( 0.00,  0.01,  0.02)
163:     bond    (  0.067,  39.118,  41.485)  (  0.067,  39.131,  41.500)  ( 0.00,  0.03,  0.04)
163:     angle   (176.327, 138.802, -131.168)  (176.330, 138.803, -131.165)  ( 0.00,  0.00,  0.00)
163:     torsion ( -0.772,   0.580,  -0.545)  ( -0.772,   0.580,  -0.545)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -0.661,  -2.475,   0.894)  ( -0.661,  -2.474,   0.894)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 18       (251.139, 191.328, 100.736)  (251.143, 191.342, 100.754)  ( 0.00,  0.01,  0.02)
163:     bond    (  2.181,  42.689, -46.478)  (  2.182,  42.701, -46.463)  ( 0.01,  0.03,  0.03)
163:     angle   (253.610, 151.426, 151.075)  (253.614, 151.427, 151.078)  ( 0.00,  0.00,  0.00)
163:     torsion (  1.057,  -0.932,  -0.807)  (  1.057,  -0.932,  -0.807)  ( 0.01,  0.01,  0.00)
163:     vdw     ( -5.709,  -1.855,  -3.054)  ( -5.709,  -1.855,  -3.054)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 19       ( 33.317,  57.884,  90.759)  ( 33.324,  57.892,  90.779)  ( 0.02,  0.01,  0.02)
163:     bond    ( 24.015, -31.052,  60.780)  ( 24.018, -31.047,  60.800)  ( 0.01,  0.02,  0.03)
163:     angle   ( 17.910,  79.100,  33.317)  ( 17.912,  79.103,  33.317)  ( 0.01,  0.00,  0.00)
163:     torsion (  2.826,  -0.063,  -1.148)  (  2.826,  -0.063,  -1.148)  ( 0.01,  0.00,  0.01)
163:     vdw     (-11.433,   9.899,  -2.189)  (-11.432,   9.899,  -2.189)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       (112.100,  65.862,  54.803)  (112.104,  65.873,  54.824)  ( 0.00,  0.02,  0.04)
163:     bond    (  1.245,  49.479,  76.160)  (  1.245,  49.487,  76.180)  ( 0.03,  0.02,  0.03)
163:     angle   (100.726,  19.307, -14.190)  (100.729,  19.309, -14.189)  ( 0.00,  0.01,  0.01)
163:     torsion (  1.154,   1.529,  -1.012)  (  1.154,   1.529,  -1.012)  ( 0.00,  0.01,  0.00)
163:     vdw     (  8.974,  -4.452,  -6.155)  (  8.975,  -4.452,  -6.155)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 21       (-71.223, -54.362, -54.764)  (-71.217, -54.338, -54.760)  ( 0.01,  0.04,  0.01)
163:     bond    (-26.461, -65.057,  11.205)  (-26.457, -65.034,  11.206)  ( 0.02,  0.04,  0.01)
163:     angle   (-46.537,   7.124, -68.522)  (-46.535,   7.124, -68.519)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.326,   0.906,   4.487)  ( -0.326,   0.906,   4.487)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.100,   2.666,  -1.934)  (  2.101,   2.666,  -1.934)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 22       (-68.853, -136.453, -261.776)  (-68.828, -136.448, -261.770)  ( 0.04,  0.00,  0.00)
163:     bond    ( 54.419, -15.692, -19.606)  ( 54.442, -15.690, -19.603)  ( 0.04,  0.01,  0.02)
163:     angle   (-123.941, -124.844, -244.293)  (-123.939, -124.841, -244.290)  ( 0.00,  0.00,  0.00)
163:     torsion (  0.075,   0.834,  -0.459)  (  0.075,   0.834,  -0.459)  ( 0.00,  0.01,  0.00)
163:     vdw     (  0.594,   3.249,   2.581)  (  0.594,   3.249,   2.582)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 23       ( 75.683, -117.846, -173.470)  ( 75.689, -117.836, -173.450)  ( 0.01,  0.01,  0.01)
163:     bond    (-20.746,  33.175, -62.178)  (-20.744,  33.181, -62.158)  ( 0.01,  0.02,  0.03)
163:     angle   ( 97.257, -154.243, -114.792)  ( 97.260, -154.239, -114.792)  ( 0.00,  0.00,  0.00)
163:     torsion ( -0.481,  -0.245,   0.030)  ( -0.481,  -0.245,   0.030)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -0.346,   3.467,   3.470)  ( -0.346,   3.467,   3.470)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 24       (105.149, -66.430, -206.326)  (105.157, -66.407, -206.322)  ( 0.01,  0.03,  0.00)
163:     bond    (-19.670, -43.647,  -7.176)  (-19.665, -43.624,  -7.175)  ( 0.02,  0.05,  0.01)
163:     angle   (126.570, -23.893, -201.648)  (126.573, -23.893, -201.644)  ( 0.00,  0.00,  0.00)
163:     torsion (  0.145,  -0.078,   0.078)  (  0.145,  -0.078,   0.078)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -1.896,   1.189,   2.419)  ( -1.896,   1.189,   2.419)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 25       (-44.220,  12.148,  -7.731)  (-44.210,  12.167,  -7.724)  ( 0.02,  0.16,  0.08)
163:     bond    ( -3.943,  -6.899,   3.822)  ( -3.937,  -6.881,   3.827)  ( 0.15,  0.26,  0.14)
163:     angle   (-38.340,  11.268, -19.179)  (-38.337,  11.269, -19.179)  ( 0.01,  0.01,  0.00)
163:     torsion ( -2.978,   6.930,   9.397)  ( -2.978,   6.930,   9.397)  ( 0.00,  0.00,  0.00)
163:     vdw     (  1.663,   0.445,  -1.262)  (  1.663,   0.445,  -1.262)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.622,   0.404,  -0.508)  ( -0.622,   0.404,  -0.508)  ( 0.00,  0.00,  0.00)
163: 26       ( 18.457, -48.202,   0.427)  ( 18.480, -48.196,   0.433)  ( 0.12,  0.01,  0.25)
163:     bond    (  3.862,   0.983,   1.869)  (  3.884,   0.985,   1.875)  ( 0.58,  0.14,  0.28)
163:     angle   ( -7.815, -37.552,  35.916)  ( -7.815, -37.548,  35.917)  ( 0.00,  0.01,  0.00)
163:     torsion ( 20.997,  -8.192, -39.206)  ( 20.997,  -8.192, -39.206)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.854,  -2.630,   1.421)  (  0.854,  -2.630,   1.421)  ( 0.00,  0.00,  0.00)
163:     electro (  0.559,  -0.810,   0.426)  (  0.559,  -0.810,   0.426)  ( 0.00,  0.00,  0.00)
163: 27       (-29.738,  40.590,   5.549)  (-29.733,  40.591,   5.577)  ( 0.02,  0.00,  0.50)
163:     bond    ( -1.957,   0.297,  -8.240)  ( -1.955,   0.297,  -8.213)  ( 0.08,  0.00,  0.33)
163:     angle   (-21.621,  52.996,   7.064)  (-21.618,  52.998,   7.064)  ( 0.01,  0.00,  0.00)
163:     torsion (-11.269, -11.104,   2.280)  (-11.269, -11.104,   2.281)  ( 0.00,  0.00,  0.00)
163:     vdw     (  3.798,  -0.733,   3.981)  (  3.798,  -0.733,   3.981)  ( 0.00,  0.00,  0.00)
163:     electro (  1.311,  -0.867,   0.464)  (  1.311,  -0.867,   0.464)  ( 0.00,  0.00,  0.00)
163: 28       (-136.891, 245.087, -127.495)  (-136.870, 245.092, -127.486)  ( 0.02,  0.00,  0.01)
163:     bond    ( -4.603,  -0.834,   3.102)  ( -4.584,  -0.834,   3.111)  ( 0.42,  0.05,  0.29)
163:     angle   (-130.627, 233.442, -129.868)  (-130.626, 233.446, -129.868)  ( 0.00,  0.00,  0.00)
163:     torsion ( -3.357,  13.709,  -1.271)  ( -3.357,  13.709,  -1.271)  ( 0.00,  0.00,  0.01)
163:     vdw     (  2.285,  -1.520,   1.199)  (  2.285,  -1.520,   1.199)  ( 0.01,  0.01,  0.01)
163:     electro ( -0.589,   0.290,  -0.657)  ( -0.589,   0.290,  -0.657)  ( 0.00,  0.00,  0.00)
163: 29       ( 62.680,  48.907,  79.728)  ( 62.701,  48.917,  79.731)  ( 0.03,  0.02,  0.00)
163:     bond    ( 82.859,  48.522,  11.969)  ( 82.880,  48.529,  11.970)  ( 0.02,  0.02,  0.01)
163:     angle   (-15.838,   8.500,  75.187)  (-15.837,   8.502,  75.190)  ( 0.01,  0.03,  0.00)
163:     torsion (  1.056,  -1.007,  -3.232)  (  1.056,  -1.007,  -3.232)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -5.397,  -7.108,  -4.197)  ( -5.397,  -7.108,  -4.197)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 30       (-75.889,  12.904, 204.837)  (-75.885,  12.931, 204.841)  ( 0.01,  0.21,  0.00)
163:     bond    ( -7.796,  60.835,  11.399)  ( -7.795,  60.862,  11.401)  ( 0.01,  0.04,  0.01)
163:     angle   (-73.100, -46.077, 195.991)  (-73.097, -46.076, 195.995)  ( 0.00,  0.00,  0.00)
163:     torsion (  2.398,   0.066,   1.288)  (  2.398,   0.066,   1.288)  ( 0.01,  0.00,  0.00)
163:     vdw     (  2.608,  -1.920,  -3.842)  (  2.609,  -1.920,  -3.842)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 31       (-117.716,  90.678, 152.303)  (-117.707,  90.684, 152.325)  ( 0.01,  0.01,  0.01)
163:     bond    ( 27.141, -14.457,  53.610)  ( 27.147, -14.455,  53.631)  ( 0.02,  0.01,  0.04)
163:     angle   (-146.486, 105.766, 102.653)  (-146.482, 105.769, 102.653)  ( 0.00,  0.00,  0.00)
163:     torsion ( -0.366,  -0.637,   0.013)  ( -0.366,  -0.637,   0.013)  ( 0.00,  0.01,  0.00)
163:     vdw     (  1.994,   0.006,  -3.973)  (  1.994,   0.006,  -3.973)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 32       (-50.224,  82.100, 196.063)  (-50.199,  82.107, 196.068)  ( 0.05,  0.01,  0.00)
163:     bond    (-55.346, -19.687,  12.099)  (-55.323, -19.684,  12.101)  ( 0.04,  0.02,  0.01)
163:     angle   (  4.679, 101.096, 185.844)  (  4.679, 101.100, 185.848)  ( 0.01,  0.00,  0.00)
163:     torsion ( -0.331,   0.679,  -0.408)  ( -0.331,   0.679,  -0.408)  ( 0.00,  0.01,  0.00)
163:     vdw     (  0.775,   0.012,  -1.473)  (  0.775,   0.012,  -1.473)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 33       (408.847, -165.313, -419.480)  (408.832, -165.278, -419.494)  ( 0.00,  0.02,  0.00)
163:     bond    ( 49.599, 130.501, -58.048)  ( 49.604, 130.533, -58.041)  ( 0.01,  0.02,  0.01)
163:     angle   (371.322, -295.799, -347.892)  (371.314, -295.795, -347.900)  ( 0.00,  0.00,  0.00)
163:     torsion (-12.248,  -0.841, -12.358)  (-12.260,  -0.841, -12.370)  ( 0.10,  0.00,  0.10)
163:     vdw     ( -1.245,  -1.183,  -0.414)  ( -1.245,  -1.183,  -0.414)  ( 0.00,  0.00,  0.00)
163:     electro (  1.420,   2.008,  -0.769)  (  1.420,   2.008,  -0.769)  ( 0.00,  0.00,  0.00)
163: ok 30 # gradients 
163: ok 31 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       ( 46.073, -53.603,   1.779)  ( 46.121, -53.554,   1.827)  ( 0.11,  0.09,  2.70)
163:     bond    ( 56.033,   2.173,  18.600)  ( 56.070,   2.210,  18.636)  ( 0.06,  1.67,  0.20)
163:     angle   ( -7.353, -49.796,  -8.847)  ( -7.340, -49.783,  -8.836)  ( 0.17,  0.03,  0.13)
163:     torsion (  0.938,   1.611,  -3.622)  (  0.938,   1.611,  -3.621)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -3.546,  -7.591,  -4.351)  ( -3.546,  -7.591,  -4.351)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       (141.043, 179.752, 117.469)  (141.110, 179.826, 117.486)  ( 0.05,  0.04,  0.01)
163:     bond    ( 77.454, 158.423,  80.136)  ( 77.508, 158.488,  80.147)  ( 0.07,  0.04,  0.01)
163:     angle   ( 65.044,  21.210,  39.213)  ( 65.057,  21.218,  39.216)  ( 0.02,  0.04,  0.01)
163:     torsion (  0.130,   0.532,  -2.605)  (  0.131,   0.533,  -2.601)  ( 0.00,  0.02,  0.13)
163:     vdw     ( -1.646,  -0.358,   0.422)  ( -1.646,  -0.358,   0.422)  ( 0.01,  0.00,  0.00)
163:     electro (  0.060,  -0.055,   0.302)  (  0.060,  -0.055,   0.302)  ( 0.00,  0.00,  0.00)
163:  3       ( -8.226, -36.206,  -9.656)  ( -8.220, -36.181,  -9.652)  ( 0.07,  0.07,  0.04)
163:     bond    (-11.345, -33.468,   2.727)  (-11.342, -33.443,   2.727)  ( 0.02,  0.07,  0.00)
163:     angle   (  5.420,  -2.848, -12.376)  (  5.423,  -2.848, -12.372)  ( 0.06,  0.01,  0.03)
163:     torsion (  0.012,  -0.008,  -0.042)  (  0.012,  -0.008,  -0.042)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.313,   0.117,   0.035)  ( -2.313,   0.117,   0.035)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (-33.035,  14.265,  14.129)  (-33.023,  14.277,  14.141)  ( 0.04,  0.08,  0.09)
163:     bond    (-20.220,  20.248,  21.069)  (-20.211,  20.257,  21.079)  ( 0.04,  0.04,  0.05)
163:     angle   ( 14.957,  14.055,   0.831)  ( 14.959,  14.057,   0.834)  ( 0.01,  0.02,  0.20)
163:     torsion ( -0.004,  -0.021,   0.016)  ( -0.004,  -0.021,   0.016)  ( 0.00,  0.00,  0.00)
163:     vdw     (-27.768, -20.017,  -7.788)  (-27.767, -20.016,  -7.788)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       ( -9.060,   9.846, -36.923)  ( -9.057,   9.853, -36.898)  ( 0.04,  0.06,  0.07)
163:     bond    ( -3.550,  11.947, -36.602)  ( -3.550,  11.950, -36.577)  ( 0.00,  0.02,  0.07)
163:     angle   ( -5.400,  -2.196,  -0.193)  ( -5.397,  -2.193,  -0.193)  ( 0.06,  0.17,  0.01)
163:     torsion ( -0.006,   0.045,   0.015)  ( -0.006,   0.045,   0.015)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.104,   0.051,  -0.143)  ( -0.104,   0.051,  -0.143)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (-51.563,  32.405,   2.018)  (-51.534,  32.444,   2.022)  ( 0.06,  0.12,  0.19)
163:     bond    (-36.513,  43.141,   9.825)  (-36.486,  43.178,   9.827)  ( 0.07,  0.09,  0.02)
163:     angle   ( -8.815,  -6.178,  -5.581)  ( -8.812,  -6.177,  -5.580)  ( 0.03,  0.02,  0.01)
163:     torsion (  1.264,   1.990,  -4.052)  (  1.264,   1.990,  -4.051)  ( 0.00,  0.01,  0.02)
163:     vdw     ( -7.339,  -7.843,   1.278)  ( -7.339,  -7.842,   1.278)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.160,   1.295,   0.548)  ( -0.160,   1.295,   0.548)  ( 0.00,  0.00,  0.00)
163:  7       ( 18.571, -115.444,  31.887)  ( 18.626, -115.390,  31.906)  ( 0.30,  0.05,  0.06)
163:     bond    (103.923, -105.456,  11.336)  (103.966, -105.413,  11.349)  ( 0.04,  0.04,  0.11)
163:     angle   (-80.727,   4.516, -18.236)  (-80.715,   4.528, -18.234)  ( 0.01,  0.25,  0.01)
163:     torsion ( -7.906, -15.760,  38.484)  ( -7.906, -15.760,  38.488)  ( 0.00,  0.00,  0.01)
163:     vdw     (  3.828,   0.979,   1.088)  (  3.829,   0.979,   1.088)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.547,   0.276,  -0.785)  ( -0.547,   0.276,  -0.785)  ( 0.00,  0.00,  0.00)
163:  8       ( 98.492,  -8.381,  -8.747)  ( 98.510,  -8.365,  -8.743)  ( 0.02,  0.18,  0.04)
163:     bond    ( 57.396, -52.111, -14.395)  ( 57.412, -52.098, -14.394)  ( 0.03,  0.02,  0.01)
163:     angle   ( 15.918,  14.631,  10.536)  ( 15.920,  14.633,  10.537)  ( 0.01,  0.01,  0.01)
163:     torsion (  1.353,   5.680, -15.166)  (  1.353,   5.681, -15.165)  ( 0.00,  0.00,  0.01)
163:     vdw     ( 23.274,  24.518,  10.059)  ( 23.275,  24.518,  10.059)  ( 0.00,  0.00,  0.00)
163:     electro (  0.550,  -1.099,   0.220)  (  0.550,  -1.099,   0.220)  ( 0.00,  0.00,  0.00)
163:  9       (-196.889, -140.673, 168.386)  (-196.834, -140.622, 168.422)  ( 0.03,  0.04,  0.02)
163:     bond    (-117.027, -220.319,  72.628)  (-116.983, -220.279,  72.656)  ( 0.04,  0.02,  0.04)
163:     angle   (-63.685,  98.264, 121.297)  (-63.675,  98.275, 121.304)  ( 0.02,  0.01,  0.01)
163:     torsion (-17.120, -19.452, -26.178)  (-17.120, -19.452, -26.178)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.943,   0.833,   0.640)  (  0.943,   0.833,   0.640)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 10       (232.993, -84.406,   3.415)  (233.034, -84.370,   3.466)  ( 0.02,  0.04,  1.50)
163:     bond    ( 65.211,   0.399, 148.702)  ( 65.240,   0.426, 148.746)  ( 0.04,  1.07,  0.03)
163:     angle   (177.340, -80.008, -125.110)  (177.352, -79.999, -125.103)  ( 0.01,  0.01,  0.01)
163:     torsion (-11.166,  -6.616, -21.328)  (-11.166,  -6.616, -21.328)  ( 0.00,  0.00,  0.00)
163:     vdw     (  1.608,   1.819,   1.151)  (  1.608,   1.819,   1.151)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       (-254.765, 436.986, -67.608)  (-254.707, 437.012, -67.559)  ( 0.02,  0.01,  0.07)
163:     bond    (-120.639, 134.169,  15.514)  (-120.591, 134.184,  15.547)  ( 0.04,  0.01,  0.21)
163:     angle   (-167.688, 157.180, -45.457)  (-167.679, 157.192, -45.442)  ( 0.01,  0.01,  0.03)
163:     torsion ( 33.886, 145.372, -37.446)  ( 33.886, 145.371, -37.446)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.324,   0.265,  -0.218)  ( -0.324,   0.265,  -0.218)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (-22.088, -22.217, -29.969)  (-22.084, -22.208, -29.948)  ( 0.02,  0.04,  0.07)
163:     bond    ( -6.016, -21.410, -36.088)  ( -6.016, -21.403, -36.068)  ( 0.01,  0.03,  0.06)
163:     angle   (-30.444,  -0.957,   5.643)  (-30.441,  -0.955,   5.644)  ( 0.01,  0.19,  0.01)
163:     torsion (  4.110,  -6.214,   3.002)  (  4.110,  -6.214,   3.002)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 10.262,   6.364,  -2.526)  ( 10.262,   6.364,  -2.526)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 13       (  8.293, -133.079,  62.973)  (  8.310, -133.062,  62.979)  ( 0.21,  0.01,  0.01)
163:     bond    ( 30.933, -138.777,  61.028)  ( 30.949, -138.763,  61.031)  ( 0.05,  0.01,  0.01)
163:     angle   (-18.060,  -2.085, -16.096)  (-18.059,  -2.083, -16.093)  ( 0.01,  0.13,  0.02)
163:     torsion ( -2.188,   6.410,  20.016)  ( -2.188,   6.410,  20.016)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.392,   1.374,  -1.975)  ( -2.392,   1.374,  -1.975)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 14       (148.340, -196.719, -384.370)  (148.378, -196.698, -384.273)  ( 0.03,  0.01,  0.03)
163:     bond    ( 78.126, 114.902, -393.965)  ( 78.154, 114.917, -393.878)  ( 0.04,  0.01,  0.02)
163:     angle   ( 98.473, -242.933,  -3.874)  ( 98.482, -242.926,  -3.865)  ( 0.01,  0.00,  0.23)
163:     torsion (-17.678, -65.927,  16.403)  (-17.677, -65.926,  16.404)  ( 0.00,  0.00,  0.00)
163:     vdw     (-11.821,  -1.517,  -2.824)  (-11.820,  -1.517,  -2.824)  ( 0.00,  0.00,  0.00)
163:     electro (  1.239,  -1.245,  -0.111)  (  1.239,  -1.245,  -0.111)  ( 0.00,  0.00,  0.00)
163: 15       ( 55.040,  12.071,   3.767)  ( 55.044,  12.097,   3.772)  ( 0.01,  0.21,  0.11)
163:     bond    (  0.427,  11.115,   3.347)  (  0.427,  11.140,   3.349)  ( 0.00,  0.23,  0.07)
163:     angle   ( 47.344,  -0.958,  -2.857)  ( 47.348,  -0.958,  -2.855)  ( 0.01,  0.02,  0.07)
163:     torsion (  3.463,  -0.198,   0.216)  (  3.463,  -0.198,   0.216)  ( 0.00,  0.00,  0.00)
163:     vdw     (  3.806,   2.112,   3.061)  (  3.806,   2.112,   3.061)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 16       (-38.258,  87.065, 123.842)  (-38.253,  87.068, 123.903)  ( 0.01,  0.00,  0.05)
163:     bond    (-23.671, -14.717, 113.273)  (-23.669, -14.716, 113.334)  ( 0.01,  0.00,  0.05)
163:     angle   (-29.611,  71.263,   3.070)  (-29.608,  71.265,   3.070)  ( 0.01,  0.00,  0.00)
163:     torsion ( 19.803,  30.719,   8.124)  ( 19.803,  30.720,   8.125)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -4.022,  -0.700,  -0.473)  ( -4.022,  -0.700,  -0.473)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.757,   0.500,  -0.153)  ( -0.757,   0.500,  -0.153)  ( 0.00,  0.00,  0.00)
163: 17       (-124.922, 160.182, -83.462)  (-124.880, 160.221, -83.420)  ( 0.03,  0.02,  0.05)
163:     bond    (-131.449,  83.564, -63.177)  (-131.416,  83.592, -63.143)  ( 0.03,  0.03,  0.05)
163:     angle   (  8.025,  70.698, -17.007)  (  8.034,  70.708, -16.998)  ( 0.11,  0.01,  0.05)
163:     torsion ( -0.745,   6.167,  -3.535)  ( -0.745,   6.167,  -3.535)  ( 0.03,  0.01,  0.01)
163:     vdw     ( -0.753,  -0.247,   0.257)  ( -0.753,  -0.247,   0.257)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 18       (-94.970, -271.612,  65.923)  (-94.923, -271.564,  65.973)  ( 0.05,  0.02,  0.08)
163:     bond    ( -5.806, -112.325,   7.274)  ( -5.770, -112.289,   7.312)  ( 0.63,  0.03,  0.52)
163:     angle   (-83.027, -71.036,  27.950)  (-83.017, -71.025,  27.962)  ( 0.01,  0.02,  0.04)
163:     torsion ( -3.416, -86.985,  30.001)  ( -3.416, -86.985,  30.001)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -2.720,  -1.265,   0.697)  ( -2.720,  -1.265,   0.697)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 19       ( 47.998, -93.172, -63.432)  ( 48.047, -93.123, -63.383)  ( 0.10,  0.05,  0.08)
163:     bond    (  3.510,   0.952,  -4.414)  (  3.546,   0.988,  -4.377)  ( 1.03,  3.45,  0.83)
163:     angle   ( 50.607, -90.344, -54.175)  ( 50.619, -90.331, -54.163)  ( 0.02,  0.01,  0.02)
163:     torsion ( -4.961,  -2.567,  -0.636)  ( -4.961,  -2.567,  -0.636)  ( 0.01,  0.01,  0.02)
163:     vdw     ( -1.158,  -1.212,  -4.207)  ( -1.158,  -1.212,  -4.207)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       (104.993,  46.842,  70.465)  (105.043,  46.890,  70.514)  ( 0.05,  0.10,  0.07)
163:     bond    ( 17.708,  15.746,  11.019)  ( 17.745,  15.782,  11.055)  ( 0.21,  0.23,  0.33)
163:     angle   ( 78.058,  33.218,  62.190)  ( 78.070,  33.230,  62.202)  ( 0.02,  0.04,  0.02)
163:     torsion (  6.126,  -5.883,  -3.243)  (  6.126,  -5.883,  -3.243)  ( 0.00,  0.01,  0.01)
163:     vdw     (  3.102,   3.761,   0.500)  (  3.102,   3.761,   0.500)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 21       (146.255, 149.536, 151.376)  (146.280, 149.618, 151.417)  ( 0.02,  0.05,  0.03)
163:     bond    ( 40.147, 106.784,  65.656)  ( 40.166, 106.856,  65.689)  ( 0.05,  0.07,  0.05)
163:     angle   ( 96.179,  38.674,  82.359)  ( 96.185,  38.684,  82.366)  ( 0.01,  0.03,  0.01)
163:     torsion ( 15.474,   5.590,  -2.941)  ( 15.475,   5.590,  -2.940)  ( 0.01,  0.00,  0.02)
163:     vdw     ( -4.952,  -1.638,   6.182)  ( -4.952,  -1.638,   6.183)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.594,   0.125,   0.119)  ( -0.594,   0.125,   0.119)  ( 0.00,  0.00,  0.00)
163: 22       ( 14.363,  24.556,  -5.998)  ( 14.367,  24.566,  -5.977)  ( 0.03,  0.04,  0.35)
163:     bond    ( -0.141,   0.953,   1.628)  ( -0.140,   0.960,   1.649)  ( 0.00,  0.67,  1.27)
163:     angle   ( 20.638,  18.771,  -9.175)  ( 20.641,  18.773,  -9.175)  ( 0.01,  0.01,  0.01)
163:     torsion ( -8.277,   7.711,  -5.195)  ( -8.277,   7.711,  -5.195)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.141,  -2.878,   6.744)  (  2.142,  -2.878,   6.745)  ( 0.04,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 23       (-57.516, -332.950, -98.332)  (-57.497, -332.903, -98.310)  ( 0.03,  0.01,  0.02)
163:     bond    (-19.487, -259.679, -59.892)  (-19.470, -259.639, -59.873)  ( 0.08,  0.02,  0.03)
163:     angle   (-31.577, -68.046, -46.314)  (-31.575, -68.039, -46.312)  ( 0.00,  0.01,  0.00)
163:     torsion ( -9.292,  -1.338,   8.076)  ( -9.291,  -1.338,   8.077)  ( 0.01,  0.00,  0.01)
163:     vdw     (  2.462,  -4.002,  -0.004)  (  2.462,  -4.001,  -0.004)  ( 0.00,  0.00,  0.00)
163:     electro (  0.378,   0.115,  -0.199)  (  0.378,   0.115,  -0.199)  ( 0.00,  0.00,  0.00)
163: 24       ( -1.382, -37.977,   2.868)  ( -1.368, -37.964,   2.876)  ( 0.97,  0.04,  0.30)
163:     bond    ( 15.002, -14.886,  10.387)  ( 15.013, -14.875,  10.392)  ( 0.07,  0.07,  0.05)
163:     angle   (-18.866, -26.610, -10.838)  (-18.864, -26.608, -10.835)  ( 0.01,  0.01,  0.03)
163:     torsion ( -0.221,   0.010,   0.333)  ( -0.221,   0.010,   0.333)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.704,   3.510,   2.986)  (  2.704,   3.510,   2.986)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 25       (-11.589,   7.655, -36.391)  (-11.578,   7.666, -36.377)  ( 0.09,  0.15,  0.04)
163:     bond    ( 10.819,  11.402, -12.976)  ( 10.827,  11.411, -12.965)  ( 0.07,  0.08,  0.09)
163:     angle   (-25.163,  -7.263, -27.403)  (-25.160,  -7.260, -27.400)  ( 0.01,  0.04,  0.01)
163:     torsion (  0.025,  -0.031,  -0.006)  (  0.025,  -0.031,  -0.006)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.729,   3.546,   3.994)  (  2.729,   3.546,   3.994)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 26       (-35.365,  12.544,   1.991)  (-35.358,  12.557,   2.007)  ( 0.02,  0.10,  0.80)
163:     bond    ( -7.469,  12.487,  14.722)  ( -7.466,  12.497,  14.736)  ( 0.05,  0.08,  0.10)
163:     angle   (-36.168,  -7.559, -11.915)  (-36.165,  -7.556, -11.913)  ( 0.01,  0.03,  0.02)
163:     torsion ( -0.050,   0.462,  -0.417)  ( -0.049,   0.462,  -0.417)  ( 0.00,  0.00,  0.00)
163:     vdw     (  8.322,   7.154,  -0.399)  (  8.322,   7.154,  -0.399)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 27       (  4.763,  -9.346,  37.404)  (  4.777,  -9.332,  37.411)  ( 0.31,  0.15,  0.02)
163:     bond    ( 14.702, -14.220,   7.906)  ( 14.714, -14.208,   7.909)  ( 0.08,  0.08,  0.04)
163:     angle   (-10.743,   9.005,  36.160)  (-10.741,   9.007,  36.163)  ( 0.02,  0.02,  0.01)
163:     torsion ( -1.890,  -1.759,   0.357)  ( -1.890,  -1.759,   0.357)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.694,  -2.372,  -7.018)  (  2.694,  -2.372,  -7.018)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 28       (-42.977,   6.178,   6.639)  (-42.962,   6.188,   6.648)  ( 0.04,  0.17,  0.14)
163:     bond    (-16.447, -12.459, -11.230)  (-16.434, -12.451, -11.224)  ( 0.08,  0.06,  0.06)
163:     angle   (-29.289,  19.160,  21.622)  (-29.287,  19.162,  21.625)  ( 0.01,  0.01,  0.01)
163:     torsion ( -0.328,   1.908,  -1.636)  ( -0.328,   1.908,  -1.636)  ( 0.00,  0.00,  0.00)
163:     vdw     (  3.087,  -2.431,  -2.117)  (  3.087,  -2.431,  -2.117)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 29       ( -7.405,  39.134,  -1.182)  ( -7.395,  39.145,  -1.167)  ( 0.13,  0.03,  1.25)
163:     bond    (  8.732,  10.230, -12.436)  (  8.739,  10.238, -12.423)  ( 0.07,  0.08,  0.10)
163:     angle   (-18.082,  33.209,  14.652)  (-18.079,  33.212,  14.654)  ( 0.02,  0.01,  0.01)
163:     torsion (  1.576,  -0.176,   0.963)  (  1.576,  -0.176,   0.963)  ( 0.01,  0.00,  0.00)
163:     vdw     (  0.370,  -4.129,  -4.362)  (  0.370,  -4.129,  -4.361)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 30       ( -0.063, 275.793,  24.986)  ( -0.057, 275.833,  24.991)  ( 0.04,  0.01,  0.02)
163:     bond    (-61.451, 258.293, -33.425)  (-61.448, 258.332, -33.423)  ( 0.01,  0.02,  0.01)
163:     angle   ( 35.883,  14.142,  43.329)  ( 35.884,  14.142,  43.330)  ( 0.00,  0.00,  0.00)
163:     torsion (  8.079,   1.013,  -7.023)  (  8.080,   1.013,  -7.022)  ( 0.01,  0.00,  0.01)
163:     vdw     ( 20.022,   2.547,  24.873)  ( 20.022,   2.547,  24.873)  ( 0.00,  0.00,  0.00)
163:     electro ( -2.595,  -0.201,  -2.767)  ( -2.595,  -0.201,  -2.767)  ( 0.00,  0.00,  0.00)
163: 31       (-77.921,  40.028, -66.070)  (-77.916,  40.077, -66.053)  ( 0.01,  0.12,  0.03)
163:     bond    (  0.512,   2.123,   1.160)  (  0.515,   2.172,   1.174)  ( 0.14,  2.27,  1.22)
163:     angle   (-49.362,  40.654, -53.541)  (-49.360,  40.655, -53.539)  ( 0.00,  0.00,  0.00)
163:     torsion (-10.996,  -2.287,   9.050)  (-10.996,  -2.287,   9.050)  ( 0.00,  0.00,  0.00)
163:     vdw     (-20.501,  -0.752, -25.565)  (-20.501,  -0.752, -25.565)  ( 0.00,  0.00,  0.00)
163:     electro (  2.426,   0.290,   2.826)  (  2.426,   0.290,   2.826)  ( 0.00,  0.00,  0.00)
163: ok 32 # gradients 
163: ok 33 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (-115.635,  21.736,   0.189)  (-115.570,  21.769,   0.261)  ( 0.06,  0.15,  1.36)
163:     bond    (-155.155,  29.198,   0.313)  (-155.106,  29.225,   0.374)  ( 0.03,  0.09,  1.92)
163:     angle   ( 44.402,  -8.380,  -0.123)  ( 44.417,  -8.375,  -0.113)  ( 0.03,  0.06,  0.12)
163:     torsion (  0.002,   0.003,  -0.004)  (  0.002,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -4.883,   0.914,   0.003)  ( -4.883,   0.914,   0.003)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       ( 89.152,  70.487, 132.498)  ( 89.246,  70.510, 132.551)  ( 0.11,  0.03,  0.04)
163:     bond    (124.343,  54.798, 117.293)  (124.423,  54.815, 117.335)  ( 0.06,  0.03,  0.04)
163:     angle   (-29.725,  15.057,  14.214)  (-29.711,  15.062,  14.224)  ( 0.05,  0.03,  0.07)
163:     torsion ( -0.151,  -0.795,   0.529)  ( -0.151,  -0.793,   0.530)  ( 0.00,  0.15,  0.05)
163:     vdw     ( -5.315,   1.427,   0.461)  ( -5.315,   1.427,   0.461)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       (-39.154, -178.592, -284.443)  (-39.068, -178.560, -284.388)  ( 0.22,  0.02,  0.02)
163:     bond    (-12.756, -187.831, -286.760)  (-12.680, -187.806, -286.714)  ( 0.59,  0.01,  0.02)
163:     angle   (-31.273,   4.375,   0.135)  (-31.263,   4.379,   0.144)  ( 0.03,  0.11,  0.12)
163:     torsion (  0.549,   2.943,  -1.961)  (  0.549,   2.945,  -1.961)  ( 0.00,  0.06,  0.04)
163:     vdw     (  4.325,   1.921,   4.143)  (  4.325,   1.921,   4.143)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (-335.251,  62.938,   0.691)  (-335.166,  62.974,   0.761)  ( 0.03,  0.06,  4.83)
163:     bond    (-352.029,  66.166,   0.717)  (-351.957,  66.195,   0.779)  ( 0.02,  0.04,  4.44)
163:     angle   ( 14.375,  -2.725,  -0.053)  ( 14.387,  -2.720,  -0.046)  ( 0.08,  0.18,  0.04)
163:     torsion ( -0.006,  -0.053,   0.030)  ( -0.006,  -0.051,   0.031)  ( 0.00,  0.01,  0.00)
163:     vdw     (  2.409,  -0.450,  -0.003)  (  2.409,  -0.450,  -0.003)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       ( 27.195, 180.390, 283.496)  ( 27.286, 180.416, 283.552)  ( 0.33,  0.01,  0.02)
163:     bond    ( 55.263, 179.325, 285.907)  ( 55.344, 179.345, 285.953)  ( 0.15,  0.01,  0.02)
163:     angle   (-30.880,   7.204,  -0.115)  (-30.869,   7.209,  -0.105)  ( 0.03,  0.07,  0.11)
163:     torsion ( -0.520,  -2.785,   1.852)  ( -0.520,  -2.783,   1.852)  ( 0.00,  0.06,  0.04)
163:     vdw     (  3.332,  -3.355,  -4.148)  (  3.332,  -3.355,  -4.148)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       ( 58.413, -98.539, -133.073)  ( 58.501, -98.509, -133.020)  ( 0.15,  0.03,  0.04)
163:     bond    ( 96.824, -96.564, -117.957)  ( 96.897, -96.541, -117.916)  ( 0.08,  0.02,  0.04)
163:     angle   (-33.075,  -3.298, -14.167)  (-33.061,  -3.294, -14.157)  ( 0.04,  0.14,  0.07)
163:     torsion (  0.134,   0.729,  -0.489)  (  0.134,   0.731,  -0.488)  ( 0.00,  0.14,  0.04)
163:     vdw     ( -5.469,   0.595,  -0.460)  ( -5.469,   0.595,  -0.460)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       (101.790, -18.208,  -0.641)  (101.875, -18.136,  -0.611)  ( 0.08,  0.40,  1.91)
163:     bond    (101.062, -18.055,  -0.655)  (101.135, -17.991,  -0.631)  ( 0.07,  0.35,  1.52)
163:     angle   (  0.148,  -0.048,   0.023)  (  0.161,  -0.040,   0.028)  ( 0.18,  0.04,  0.01)
163:     torsion ( -0.000,  -0.002,   0.001)  ( -0.000,  -0.002,   0.002)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.581,  -0.104,  -0.010)  (  0.581,  -0.103,  -0.010)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (-138.785, -13.091,  23.815)  (-138.689, -13.035,  23.838)  ( 0.07,  0.42,  0.10)
163:     bond    (-140.778,   3.720,  13.499)  (-140.696,   3.765,  13.516)  ( 0.06,  1.22,  0.13)
163:     angle   (  6.594, -24.351,  13.745)  (  6.606, -24.342,  13.748)  ( 0.19,  0.04,  0.02)
163:     torsion (  0.047,   0.249,   0.418)  (  0.047,   0.250,   0.420)  ( 0.00,  0.02,  0.09)
163:     vdw     ( -4.485,   7.790,  -4.162)  ( -4.485,   7.790,  -4.162)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.162,  -0.498,   0.315)  ( -0.162,  -0.498,   0.315)  ( 0.00,  0.00,  0.00)
163:  9       (299.960, -16.422, -23.891)  (300.048, -16.362, -23.869)  ( 0.03,  0.36,  0.09)
163:     bond    (133.911, -45.712,  12.147)  (133.988, -45.663,  12.163)  ( 0.06,  0.11,  0.13)
163:     angle   (160.936,  23.671, -32.124)  (160.948,  23.681, -32.121)  ( 0.01,  0.04,  0.01)
163:     torsion ( -0.001,  -0.006,  -0.011)  ( -0.001,  -0.006,  -0.009)  ( 0.00,  0.00,  0.00)
163:     vdw     (  5.102,   6.209,  -4.249)  (  5.102,   6.209,  -4.249)  ( 0.00,  0.00,  0.00)
163:     electro (  0.012,  -0.584,   0.346)  (  0.012,  -0.584,   0.346)  ( 0.00,  0.00,  0.00)
163: 10       (-233.469,  43.737,   0.095)  (-233.425,  43.797,   0.119)  ( 0.02,  0.14,  0.23)
163:     bond    (-36.748,   6.966,  -0.083)  (-36.717,   7.023,  -0.062)  ( 0.08,  0.82,  0.18)
163:     angle   (-198.893,  37.174,   0.174)  (-198.881,  37.176,   0.175)  ( 0.01,  0.01,  0.02)
163:     torsion (  0.001,   0.004,   0.006)  (  0.001,   0.004,   0.007)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.172,  -0.406,  -0.002)  (  2.172,  -0.406,  -0.002)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       (283.908, -93.274,  23.554)  (284.004, -93.222,  23.576)  ( 0.03,  0.06,  0.09)
163:     bond    (139.738,  -5.983, -12.161)  (139.823,  -5.943, -12.145)  ( 0.06,  0.68,  0.13)
163:     angle   (141.433, -80.187,  31.834)  (141.444, -80.176,  31.838)  ( 0.01,  0.01,  0.01)
163:     torsion ( -0.002,  -0.009,  -0.016)  ( -0.002,  -0.009,  -0.014)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.517,  -7.635,   4.243)  (  2.517,  -7.635,   4.243)  ( 0.00,  0.00,  0.00)
163:     electro (  0.221,   0.540,  -0.346)  (  0.221,   0.540,  -0.346)  ( 0.00,  0.00,  0.00)
163: 12       (-122.480,  60.874, -23.086)  (-122.391,  60.937, -23.063)  ( 0.07,  0.10,  0.10)
163:     bond    (-130.580,  46.096, -12.840)  (-130.504,  46.148, -12.823)  ( 0.06,  0.11,  0.14)
163:     angle   ( 15.105,  20.142, -13.695)  ( 15.117,  20.151, -13.692)  ( 0.08,  0.05,  0.02)
163:     torsion ( -0.045,  -0.242,  -0.407)  ( -0.045,  -0.241,  -0.405)  ( 0.00,  0.02,  0.09)
163:     vdw     ( -6.987,  -5.645,   4.172)  ( -6.987,  -5.645,   4.172)  ( 0.00,  0.00,  0.00)
163:     electro (  0.029,   0.523,  -0.315)  (  0.029,   0.523,  -0.315)  ( 0.00,  0.00,  0.00)
163: 13       ( -9.925,  12.224,  -6.238)  ( -9.911,  12.239,  -6.231)  ( 0.14,  0.12,  0.11)
163:     bond    (  4.051,   4.454,  -3.122)  (  4.061,   4.467,  -3.116)  ( 0.26,  0.28,  0.20)
163:     angle   (-11.210,   7.819,  -3.395)  (-11.207,   7.821,  -3.395)  ( 0.03,  0.02,  0.01)
163:     torsion ( -0.006,  -0.030,  -0.051)  ( -0.006,  -0.030,  -0.050)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -1.943,  -0.290,   0.399)  ( -1.943,  -0.290,   0.399)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.817,   0.271,  -0.069)  ( -0.817,   0.271,  -0.069)  ( 0.00,  0.00,  0.00)
163: 14       (-58.101,  -7.908,  11.227)  (-58.092,  -7.888,  11.233)  ( 0.02,  0.25,  0.06)
163:     bond    ( -5.451,  10.771,  -5.813)  ( -5.446,  10.790,  -5.808)  ( 0.09,  0.17,  0.09)
163:     angle   (-55.786, -18.776,  17.425)  (-55.782, -18.776,  17.426)  ( 0.01,  0.00,  0.00)
163:     torsion (  0.002,   0.013,   0.021)  (  0.002,   0.013,   0.022)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.316,   0.076,  -0.310)  (  2.316,   0.076,  -0.310)  ( 0.00,  0.00,  0.00)
163:     electro (  0.817,   0.009,  -0.097)  (  0.817,   0.009,  -0.097)  ( 0.00,  0.00,  0.00)
163: 15       ( 76.256,  52.092, 107.712)  ( 76.305,  52.140, 107.761)  ( 0.06,  0.09,  0.05)
163:     bond    ( 35.609,  26.240,  49.457)  ( 35.644,  26.277,  49.494)  ( 0.10,  0.14,  0.07)
163:     angle   ( 39.337,  26.345,  57.041)  ( 39.351,  26.356,  57.052)  ( 0.03,  0.04,  0.02)
163:     torsion ( -0.132,  -0.717,   0.478)  ( -0.132,  -0.716,   0.478)  ( 0.00,  0.02,  0.01)
163:     vdw     (  1.442,   0.223,   0.737)  (  1.442,   0.223,   0.737)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 16       ( 44.286,  -8.269,   0.021)  ( 44.306,  -8.267,   0.025)  ( 0.05,  0.03,  0.01)
163:     bond    ( 44.465,  -8.332,  -0.027)  ( 44.486,  -8.331,  -0.027)  ( 0.05,  0.01,  0.00)
163:     angle   (  0.006,   0.030,   0.046)  (  0.006,   0.032,   0.049)  ( 0.00,  0.00,  0.02)
163:     torsion ( -0.001,  -0.003,   0.002)  ( -0.000,  -0.003,   0.002)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.185,   0.035,   0.000)  ( -0.185,   0.035,   0.001)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 17       ( 11.070, -26.992, -37.858)  ( 11.079, -26.985, -37.845)  ( 0.08,  0.03,  0.03)
163:     bond    ( 20.382, -27.254, -35.045)  ( 20.386, -27.248, -35.034)  ( 0.02,  0.02,  0.03)
163:     angle   (  9.567,   1.260,   4.588)  (  9.572,   1.261,   4.589)  ( 0.05,  0.01,  0.02)
163:     torsion ( -0.026,  -0.136,   0.091)  ( -0.026,  -0.136,   0.091)  ( 0.00,  0.00,  0.00)
163:     vdw     (-18.853,  -0.862,  -7.491)  (-18.852,  -0.862,  -7.491)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 18       ( 51.986, -76.293, -107.219)  ( 52.034, -76.245, -107.170)  ( 0.09,  0.06,  0.05)
163:     bond    ( 23.428, -37.115, -49.146)  ( 23.463, -37.078, -49.109)  ( 0.15,  0.10,  0.08)
163:     angle   ( 27.171, -39.113, -56.891)  ( 27.184, -39.102, -56.879)  ( 0.05,  0.03,  0.02)
163:     torsion (  0.125,   0.664,  -0.443)  (  0.125,   0.664,  -0.443)  ( 0.00,  0.02,  0.01)
163:     vdw     (  1.262,  -0.729,  -0.739)  (  1.262,  -0.729,  -0.739)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 19       ( 20.224,  21.241,  37.963)  ( 20.235,  21.245,  37.975)  ( 0.06,  0.02,  0.03)
163:     bond    ( 29.019,  18.087,  35.138)  ( 29.026,  18.090,  35.149)  ( 0.03,  0.02,  0.03)
163:     angle   (  8.429,  -4.622,  -4.586)  (  8.432,  -4.621,  -4.585)  ( 0.04,  0.02,  0.02)
163:     torsion (  0.025,   0.137,  -0.092)  (  0.025,   0.138,  -0.092)  ( 0.00,  0.00,  0.00)
163:     vdw     (-17.249,   7.639,   7.504)  (-17.249,   7.639,   7.504)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       (-13.482,  -7.871,   6.229)  (-13.474,  -7.850,   6.236)  ( 0.06,  0.26,  0.11)
163:     bond    (  2.196,  -5.711,   3.136)  (  2.199,  -5.691,   3.142)  ( 0.14,  0.35,  0.19)
163:     angle   (-13.116,  -3.204,   3.373)  (-13.111,  -3.203,   3.373)  ( 0.04,  0.01,  0.01)
163:     torsion (  0.005,   0.027,   0.046)  (  0.005,   0.027,   0.046)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -1.707,   0.973,  -0.396)  ( -1.707,   0.973,  -0.396)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.859,   0.043,   0.071)  ( -0.859,   0.043,   0.071)  ( 0.00,  0.00,  0.00)
163: 21       (-51.233,  28.537, -11.269)  (-51.218,  28.550, -11.263)  ( 0.03,  0.05,  0.06)
163:     bond    ( -8.828,  -7.962,   5.713)  ( -8.815,  -7.951,   5.718)  ( 0.15,  0.13,  0.10)
163:     angle   (-45.295,  37.720, -17.368)  (-45.293,  37.722, -17.368)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.002,  -0.009,  -0.016)  ( -0.002,  -0.009,  -0.015)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.132,  -0.908,   0.306)  (  2.132,  -0.908,   0.306)  ( 0.00,  0.00,  0.00)
163:     electro (  0.759,  -0.304,   0.096)  (  0.759,  -0.304,   0.096)  ( 0.00,  0.00,  0.00)
163: 22       ( 24.108, -32.847,  -9.947)  ( 24.118, -32.831,  -9.938)  ( 0.04,  0.05,  0.10)
163:     bond    ( 14.454, -21.636,  14.894)  ( 14.460, -21.622,  14.901)  ( 0.04,  0.07,  0.05)
163:     angle   (  9.873, -11.881, -26.823)  (  9.876, -11.879, -26.820)  ( 0.03,  0.01,  0.01)
163:     torsion ( -0.023,  -0.003,   0.019)  ( -0.023,  -0.003,   0.019)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.195,   0.672,   1.962)  ( -0.195,   0.672,   1.962)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 23       ( 27.579,   2.612, -28.301)  ( 27.594,   2.626, -28.294)  ( 0.05,  0.53,  0.02)
163:     bond    ( 19.888,  19.685, -11.092)  ( 19.900,  19.697, -11.088)  ( 0.06,  0.06,  0.03)
163:     angle   (  7.749, -17.983, -18.033)  (  7.752, -17.981, -18.030)  ( 0.03,  0.01,  0.02)
163:     torsion (  0.020,  -0.022,  -0.003)  (  0.020,  -0.022,  -0.003)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.078,   0.933,   0.827)  ( -0.078,   0.933,   0.827)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 24       (-28.691,   9.540,   6.093)  (-28.680,   9.549,   6.107)  ( 0.04,  0.10,  0.23)
163:     bond    (-16.080,  13.930,  19.010)  (-16.071,  13.937,  19.022)  ( 0.05,  0.05,  0.06)
163:     angle   (-34.103,  -6.913, -23.751)  (-34.101,  -6.910, -23.749)  ( 0.01,  0.04,  0.01)
163:     torsion (  0.003,   0.026,  -0.016)  (  0.003,   0.026,  -0.016)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 21.489,   2.497,  10.850)  ( 21.489,   2.497,  10.850)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 25       ( 34.410,  22.071,   9.571)  ( 34.426,  22.081,   9.580)  ( 0.05,  0.04,  0.10)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 57       ( 47.292,  52.205, -38.554)  ( 47.297,  52.209, -38.549)  ( 0.01,  0.01,  0.01)
164:     bond    ( 26.876,  35.751, -12.136)  ( 26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
164:     angle   (  0.078,  -0.014,  -0.007)  (  0.079,  -0.013,  -0.006)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( 17.157,  20.000, -12.414)  ( 17.159,  20.000, -12.413)  ( 0.01,  0.00,  0.01)
164:     torsion (  0.014,   0.019,   0.017)  (  0.014,   0.019,   0.017)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.002,   0.006,   0.005)  (  0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.164,  -3.556, -14.019)  (  3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 58       (  3.504, -53.454,  17.121)  (  3.509, -53.448,  17.126)  ( 0.15,  0.01,  0.02)
164:     bond    (-12.452, -26.537,  26.356)  (-12.448, -26.533,  26.357)  ( 0.04,  0.01,  0.01)
164:     angle   ( -9.977,   5.381,  -2.072)  ( -9.975,   5.383,  -2.071)  ( 0.02,  0.04,  0.05)
164:     strbnd  ( 29.601, -21.772,  10.437)  ( 29.601, -21.772,  10.438)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.442,  -1.853,  -6.723)  (  1.442,  -1.853,  -6.722)  ( 0.02,  0.02,  0.01)
164:     oop     (  0.004,  -0.006,  -0.012)  (  0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.113,  -8.667, -10.865)  ( -5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 59       ( 57.517, -33.972,  18.680)  ( 57.526, -33.965,  18.684)  ( 0.02,  0.02,  0.02)
164:     bond    ( 43.256,  -7.494,  14.575)  ( 43.260,  -7.491,  14.577)  ( 0.01,  0.04,  0.01)
164:     angle   ( -5.272,   6.049,  -3.749)  ( -5.270,   6.051,  -3.748)  ( 0.03,  0.03,  0.03)
164:     strbnd  ( 14.441, -25.674,  15.790)  ( 14.443, -25.673,  15.791)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.018,   1.819,   2.940)  ( -0.018,   1.820,   2.940)  ( 0.00,  0.02,  0.02)
164:     oop     ( -0.004,  -0.006,  -0.012)  ( -0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.113,  -8.667, -10.865)  (  5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 60       (-52.445, -20.208,   0.196)  (-52.439, -20.201,   0.199)  ( 0.01,  0.04,  0.06)
164:     bond    (-30.817, -15.091,  19.379)  (-30.813, -15.086,  19.380)  ( 0.01,  0.03,  0.00)
164:     angle   (  5.186,  -6.105,   3.821)  (  5.188,  -6.103,   3.822)  ( 0.04,  0.03,  0.02)
164:     strbnd  (-26.815,  14.635, -11.154)  (-26.815,  14.635, -11.154)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.000,  -1.831,  -2.952)  (  0.001,  -1.831,  -2.951)  ( 0.00,  0.01,  0.02)
164:     oop     ( -0.000,   0.005,   0.010)  (  0.000,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.000, -11.821,  -8.908)  ( -0.000, -11.821,  -8.908)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: ok 18 # gradients 
164: ok 19 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
164:  1       ( 47.614,  10.906,   0.039)  ( 47.621,  10.915,   0.093)  ( 0.02,  0.08,  0.21)
164:     bond    ( 30.636,  -6.297,   0.167)  ( 30.642,  -6.289,   0.167)  ( 0.02,  0.13,  0.00)
164:     angle   ( 32.862,  34.136,   0.480)  ( 32.865,  34.139,   0.480)  ( 0.01,  0.01,  0.00)
164:     strbnd  (-13.324,  -8.673,  -0.104)  (-13.325,  -8.674,  -0.104)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.006,   0.007,  -0.513)  (  0.006,   0.007,  -0.512)  ( 0.00,  0.00,  0.06)
164:     oop     (  0.002,   0.002,  -0.095)  (  0.001,   0.002,  -0.042)  ( 0.00,  0.00,  0.50)
164:     vdw     ( -4.980, -11.257,   0.121)  ( -4.980, -11.256,   0.121)  ( 0.00,  0.00,  0.00)
164:     electro (  2.412,   2.988,  -0.017)  (  2.412,   2.988,  -0.017)  ( 0.00,  0.00,  0.00)
164:  2       (-60.262, -26.974,  -2.058)  (-60.252, -26.966,  -1.947)  ( 0.02,  0.03,  5.40)
164:     bond    (-30.553,  -9.880,   0.169)  (-30.547,  -9.873,   0.169)  ( 0.02,  0.07,  0.00)
164:     angle   (-46.521, -10.271,   0.396)  (-46.518, -10.269,   0.396)  ( 0.01,  0.02,  0.00)
164:     strbnd  ( 17.496,  -2.306,  -0.133)  ( 17.495,  -2.306,  -0.133)  ( 0.00,  0.03,  0.00)
164:     torsion ( -0.025,   0.014,  -1.717)  ( -0.025,   0.014,  -1.715)  ( 0.00,  0.00,  0.08)
164:     oop     ( -0.004,   0.004,  -0.489)  ( -0.003,   0.003,  -0.380)  ( 0.00,  0.00,  5.38)
164:     vdw     (  1.588, -12.705,  -0.305)  (  1.588, -12.704,  -0.305)  ( 0.01,  0.00,  0.00)
164:     electro ( -2.243,   8.169,   0.021)  ( -2.243,   8.169,   0.021)  ( 0.00,  0.00,  0.00)
164:  3       ( 23.930, -14.242,   1.480)  ( 23.937, -14.234,   1.356)  ( 0.03,  0.06,  8.43)
164:     bond    ( 39.764,   9.492,  -0.196)  ( 39.769,   9.499,  -0.196)  ( 0.01,  0.07,  0.00)
164:     angle   ( -9.543, -33.981,   0.308)  ( -9.540, -33.979,   0.308)  ( 0.03,  0.01,  0.01)
164:     strbnd  ( -7.639,   9.515,  -0.055)  ( -7.639,   9.513,  -0.055)  ( 0.00,  0.01,  0.00)
164:     torsion (  0.011,   0.725,   0.814)  (  0.011,   0.725,   0.815)  ( 0.00,  0.00,  0.09)
164:     oop     (  0.005,   0.000,   0.631)  (  0.004,   0.000,   0.505)  ( 0.00,  0.00,  7.96)
164:     vdw     (  9.366,   0.886,   0.003)  (  9.367,   0.886,   0.003)  ( 0.00,  0.00,  0.00)
164:     electro ( -8.034,  -0.879,  -0.025)  ( -8.034,  -0.879,  -0.025)  ( 0.00,  0.00,  0.00)
164:  4       (  0.145,  -4.796,  -0.990)  (  0.155,  -4.783,  -0.870)  ( 0.15,  0.26, 11.92)
164:     bond    (-10.729, -14.628,   0.267)  (-10.721, -14.617,   0.267)  ( 0.08,  0.07,  0.01)
164:     angle   ( 32.474,  51.618,  -0.713)  ( 32.476,  51.622,  -0.713)  ( 0.01,  0.01,  0.01)
164:     strbnd  (-21.280, -41.834,   0.455)  (-21.281, -41.837,   0.455)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.002,  -0.000,   0.339)  ( -0.002,  -0.000,   0.341)  ( 0.00,  0.00,  0.04)
164:     oop     ( -0.004,  -0.005,  -0.706)  ( -0.003,  -0.004,  -0.587)  ( 0.00,  0.00,  8.43)
164:     vdw     (  7.224,  10.517,  -0.632)  (  7.224,  10.517,  -0.632)  ( 0.00,  0.00,  0.00)
164:     electro ( -7.539, -10.463,  -0.002)  ( -7.539, -10.463,  -0.002)  ( 0.00,  0.00,  0.00)
164:  5       ( 32.855,  54.085,  -1.765)  ( 32.859,  54.093,  -1.793)  ( 0.01,  0.01,  1.56)
164:     bond    ( 14.954,  25.801,  -0.346)  ( 14.956,  25.809,  -0.346)  ( 0.02,  0.03,  0.00)
164:     angle   ( -0.954,   0.553,   0.090)  ( -0.953,   0.554,   0.090)  ( 0.07,  0.01,  0.00)
164:     strbnd  ( 15.993,  27.797,  -0.361)  ( 15.993,  27.797,  -0.362)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.001,   0.000,   0.051)  (  0.001,   0.000,   0.051)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.001,   0.002,   0.182)  (  0.001,   0.001,   0.155)  ( 0.00,  0.00,  0.50)
164:     vdw     (  7.016,   4.718,  -1.422)  (  7.016,   4.718,  -1.422)  ( 0.00,  0.00,  0.00)
164:     electro ( -4.154,  -4.786,   0.041)  ( -4.154,  -4.786,   0.041)  ( 0.00,  0.00,  0.00)
164:  6       ( -0.168,   8.955,   0.093)  ( -0.160,   8.963,  -0.035)  ( 0.14,  0.09,  1.18)
164:     bond    (-14.177,  30.083,  -0.172)  (-14.170,  30.088,  -0.172)  ( 0.05,  0.02,  0.00)
164:     angle   (  8.442, -39.763,   0.869)  (  8.444, -39.760,   0.869)  ( 0.03,  0.01,  0.03)
164:     strbnd  ( 11.495,   9.907,  -0.096)  ( 11.495,   9.907,  -0.096)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.428,  -0.249,  -1.278)  ( -0.428,  -0.249,  -1.277)  ( 0.00,  0.00,  0.07)
164:     oop     ( -0.000,   0.003,   0.773)  ( -0.000,   0.003,   0.645)  ( 0.00,  0.00,  9.94)
164:     vdw     ( -6.893,  11.755,   0.015)  ( -6.893,  11.755,   0.015)  ( 0.00,  0.00,  0.00)
164:     electro (  1.393,  -2.782,  -0.018)  (  1.393,  -2.782,  -0.018)  ( 0.00,  0.00,  0.00)
164:  7       ( -6.398,  -0.930,  -0.886)  ( -6.384,  -0.921,  -0.765)  ( 0.22,  0.80, 10.80)
164:     bond    ( 14.169,   8.086,   0.243)  ( 14.182,   8.092,   0.243)  ( 0.09,  0.08,  0.01)
164:     angle   (-42.998, -14.458,  -0.436)  (-42.996, -14.456,  -0.436)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( 11.153,   0.471,   0.082)  ( 11.151,   0.470,   0.082)  ( 0.01,  0.04,  0.00)
164:     torsion ( -0.004,  -0.002,   0.375)  ( -0.004,  -0.002,   0.376)  ( 0.00,  0.00,  0.03)
164:     oop     (  0.003,  -0.000,  -0.845)  (  0.003,  -0.000,  -0.724)  ( 0.00,  0.00, 10.22)
164:     vdw     ( -7.050,  -0.891,  -0.311)  ( -7.050,  -0.891,  -0.311)  ( 0.00,  0.01,  0.00)
164:     electro ( 18.330,   5.865,   0.006)  ( 18.330,   5.865,   0.006)  ( 0.00,  0.00,  0.00)
164:  8       (-50.729,  -2.197,  -0.507)  (-50.718,  -2.195,  -0.575)  ( 0.02,  0.05,  3.43)
164:     bond    (-33.079,   0.439,  -0.219)  (-33.068,   0.439,  -0.220)  ( 0.03,  0.01,  0.00)
164:     angle   (  0.010,   0.811,   0.102)  (  0.010,   0.812,   0.102)  ( 0.00,  0.09,  0.00)
164:     strbnd  (-14.392,  -0.434,  -0.079)  (-14.392,  -0.434,  -0.079)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.001,  -0.000,  -0.096)  (  0.001,  -0.000,  -0.096)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.002,  -0.000,   0.361)  ( -0.002,  -0.000,   0.293)  ( 0.00,  0.00,  2.44)
164:     vdw     ( -5.725,  -2.617,  -0.509)  ( -5.725,  -2.617,  -0.509)  ( 0.00,  0.01,  0.00)
164:     electro (  2.458,  -0.395,  -0.067)  (  2.458,  -0.395,  -0.067)  ( 0.00,  0.00,  0.00)
164:  9       (-32.034, -12.171,  -0.517)  (-32.026, -12.162,  -0.554)  ( 0.03,  0.07,  1.89)
164:     bond    (-31.682, -14.421,  -0.455)  (-31.675, -14.415,  -0.455)  ( 0.02,  0.04,  0.00)
164:     angle   (  5.174,   7.290,   0.065)  (  5.177,   7.293,   0.066)  ( 0.05,  0.03,  0.00)
164:     strbnd  ( -6.582,  -2.350,  -0.240)  ( -6.583,  -2.351,  -0.240)  ( 0.02,  0.05,  0.00)
164:     torsion (  0.000,   0.005,  -0.080)  (  0.000,   0.005,  -0.079)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.001,  -0.003,   0.207)  ( -0.000,  -0.002,   0.169)  ( 0.00,  0.00,  0.78)
164:     vdw     (  1.438,  -3.381,  -0.019)  (  1.438,  -3.381,  -0.019)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.381,   0.689,   0.005)  ( -0.381,   0.689,   0.005)  ( 0.00,  0.00,  0.00)
164: 10       (-11.709, -23.421,  -0.019)  (-11.704, -23.415,  -0.082)  ( 0.04,  0.03,  0.12)
164:     bond    (-32.483, -35.767,  -0.526)  (-32.480, -35.763,  -0.526)  ( 0.01,  0.01,  0.01)
164:     angle   ( 26.625,   6.434,  -0.197)  ( 26.627,   6.434,  -0.197)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -1.629,   3.816,   0.065)  ( -1.629,   3.816,   0.065)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.008,  -0.005,   0.486)  (  0.008,  -0.005,   0.486)  ( 0.00,  0.00,  0.02)
164:     oop     (  0.002,  -0.005,   0.355)  (  0.001,  -0.005,   0.291)  ( 0.00,  0.00,  2.26)
164:     vdw     ( -3.198,  -3.532,  -0.228)  ( -3.198,  -3.531,  -0.228)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.035,   5.639,   0.027)  ( -1.035,   5.639,   0.027)  ( 0.00,  0.00,  0.00)
164: 11       ( 35.827,   8.607,  -0.338)  ( 35.834,   8.614,  -0.245)  ( 0.02,  0.08,  3.13)
164:     bond    ( 44.495,  11.383,   0.093)  ( 44.502,  11.390,   0.093)  ( 0.01,  0.06,  0.00)
164:     angle   ( -0.477,  -4.825,  -0.116)  ( -0.475,  -4.823,  -0.116)  ( 0.09,  0.05,  0.00)
164:     strbnd  (-12.211,   2.309,   0.059)  (-12.213,   2.308,   0.059)  ( 0.02,  0.02,  0.00)
164:     torsion ( -0.001,  -0.001,   0.053)  ( -0.001,  -0.001,   0.054)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,   0.010,  -0.488)  ( -0.000,   0.008,  -0.397)  ( 0.00,  0.00,  4.49)
164:     vdw     (  4.096,  -0.193,   0.062)  (  4.096,  -0.193,   0.062)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.073,  -0.076,  -0.001)  ( -0.073,  -0.076,  -0.001)  ( 0.00,  0.00,  0.00)
164: 12       ( 16.696,   4.159,   1.198)  ( 16.701,   4.165,   1.188)  ( 0.03,  0.16,  0.77)
164:     bond    ( 20.776,   7.319,   0.909)  ( 20.781,   7.324,   0.914)  ( 0.02,  0.06,  0.43)
164:     angle   (-13.754,  -4.812,  -0.102)  (-13.752,  -4.809,  -0.101)  ( 0.01,  0.04,  0.02)
164:     strbnd  ( 12.427,   3.908,   0.157)  ( 12.424,   3.908,   0.156)  ( 0.02,  0.02,  0.01)
164:     torsion ( -0.002,  -0.005,   0.222)  ( -0.002,  -0.005,   0.222)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.001,  -0.001,   0.057)  ( -0.000,  -0.001,   0.042)  ( 0.00,  0.00,  0.09)
164:     vdw     ( -1.953,  -4.180,  -0.065)  ( -1.953,  -4.180,  -0.065)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.796,   1.928,   0.020)  ( -0.796,   1.928,   0.020)  ( 0.00,  0.00,  0.00)
164: 13       (-13.757,  -4.403,   1.127)  (-13.752,  -4.397,   1.147)  ( 0.04,  0.15,  1.78)
164:     bond    (-22.923,  -0.335,   0.145)  (-22.919,  -0.330,   0.150)  ( 0.02,  0.16,  0.07)
164:     angle   (  7.410,   2.850,  -0.382)  (  7.411,   2.852,  -0.380)  ( 0.03,  0.07,  0.06)
164:     strbnd  (  0.558,  -0.831,  -0.003)  (  0.557,  -0.831,  -0.003)  ( 0.07,  0.03,  0.00)
164:     torsion (  0.051,  -3.726,   1.437)  (  0.051,  -3.726,   1.438)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.001,  -0.000,  -0.079)  ( -0.001,  -0.000,  -0.065)  ( 0.00,  0.00,  0.11)
164:     vdw     (  6.098,  -3.967,   0.005)  (  6.098,  -3.967,   0.005)  ( 0.00,  0.00,  0.00)
164:     electro ( -4.950,   1.606,   0.003)  ( -4.950,   1.606,   0.003)  ( 0.00,  0.00,  0.00)
164: 14       (  9.355, -11.349,   3.836)  (  9.361, -11.344,   3.856)  ( 0.06,  0.05,  0.53)
164:     bond    ( 11.197, -20.692,  -0.065)  ( 11.201, -20.688,  -0.061)  ( 0.04,  0.02,  0.03)
164:     angle   ( -3.458,   7.005,  -0.620)  ( -3.456,   7.007,  -0.619)  ( 0.06,  0.03,  0.09)
164:     strbnd  (  0.022,   0.227,   0.010)  (  0.021,   0.226,   0.009)  ( 0.00,  0.02,  0.00)
164:     torsion (  2.182,   1.253,   4.593)  (  2.182,   1.253,   4.593)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,  -0.001,  -0.092)  (  0.000,  -0.001,  -0.078)  ( 0.00,  0.00,  0.13)
164:     vdw     ( -4.679,   7.355,  -0.008)  ( -4.679,   7.355,  -0.008)  ( 0.00,  0.00,  0.00)
164:     electro (  4.091,  -6.495,   0.019)  (  4.091,  -6.495,   0.019)  ( 0.00,  0.00,  0.00)
164: 15       ( -0.465,   5.538,   0.483)  ( -0.465,   5.543,   0.432)  ( 0.04,  0.09,  2.45)
164:     bond    ( -0.036,   7.926,   0.175)  ( -0.036,   7.930,   0.175)  ( 0.00,  0.05,  0.00)
164:     angle   ( -5.802,  -0.026,  -0.014)  ( -5.802,  -0.026,  -0.014)  ( 0.01,  0.00,  0.00)
164:     strbnd  (  3.604,  -0.129,  -0.013)  (  3.604,  -0.129,  -0.013)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.001,  -0.003,   0.136)  (  0.001,  -0.003,   0.136)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,  -0.005,   0.223)  (  0.000,  -0.004,   0.172)  ( 0.00,  0.00,  1.13)
164:     vdw     (  1.248,  -1.217,  -0.011)  (  1.248,  -1.217,  -0.011)  ( 0.00,  0.00,  0.00)
164:     electro (  0.520,  -1.008,  -0.012)  (  0.520,  -1.008,  -0.012)  ( 0.00,  0.00,  0.00)
164: 16       (  3.795,  -2.075,  -0.170)  (  3.796,  -2.072,  -0.169)  ( 0.02,  0.17,  0.01)
164:     bond    ( -0.033,  -1.994,  -0.084)  ( -0.033,  -1.991,  -0.084)  ( 0.00,  0.17,  0.00)
164:     angle   (  5.569,  -0.090,  -0.056)  (  5.570,  -0.090,  -0.056)  ( 0.01,  0.00,  0.00)
164:     strbnd  (  2.049,   1.116,   0.067)  (  2.049,   1.116,   0.067)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.000,   0.000,  -0.009)  (  0.000,   0.000,  -0.009)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.791,  -1.108,  -0.087)  ( -3.791,  -1.108,  -0.087)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 17       (  3.734,   1.697,   3.317)  (  3.735,   1.697,   3.320)  ( 0.03,  0.05,  0.08)
164:     bond    ( -0.653,   0.424,   1.150)  ( -0.653,   0.424,   1.152)  ( 0.05,  0.01,  0.21)
164:     angle   (  4.116,   2.173,   1.530)  (  4.116,   2.174,   1.530)  ( 0.01,  0.02,  0.01)
164:     strbnd  (  2.185,   0.599,  -0.219)  (  2.185,   0.599,  -0.219)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.003,  -0.008,   0.004)  (  0.003,  -0.008,   0.004)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.916,  -1.492,   0.852)  ( -1.916,  -1.492,   0.852)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 18       (  3.357,   1.877,  -3.735)  (  3.358,   1.877,  -3.733)  ( 0.04,  0.05,  0.07)
164:     bond    ( -0.951,   0.766,  -1.640)  ( -0.950,   0.766,  -1.638)  ( 0.07,  0.04,  0.14)
164:     angle   (  4.217,   2.283,  -1.378)  (  4.217,   2.284,  -1.377)  ( 0.01,  0.02,  0.01)
164:     strbnd  (  2.195,   0.574,   0.319)  (  2.195,   0.574,   0.319)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.003,   0.007,   0.005)  ( -0.003,   0.007,   0.005)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.102,  -1.754,  -1.042)  ( -2.101,  -1.754,  -1.042)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 19       ( -0.948,   1.749,  -2.994)  ( -0.947,   1.750,  -2.991)  ( 0.08,  0.04,  0.10)
164:     bond    (  0.687,   0.547,  -1.969)  (  0.688,   0.547,  -1.967)  ( 0.02,  0.01,  0.15)
164:     angle   ( -2.117,   0.190,  -0.687)  ( -2.116,   0.190,  -0.687)  ( 0.02,  0.01,  0.01)
164:     strbnd  ( -1.351,  -0.031,   0.069)  ( -1.351,  -0.031,   0.069)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.009,   1.344,   0.371)  ( -0.009,   1.344,   0.371)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.840,  -0.300,  -0.777)  (  1.840,  -0.300,  -0.777)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 20       (  3.214,  -1.427,   1.320)  (  3.215,  -1.424,   1.320)  ( 0.03,  0.21,  0.05)
164:     bond    (  0.757,  -1.956,   0.504)  (  0.757,  -1.953,   0.504)  ( 0.03,  0.15,  0.01)
164:     angle   ( -2.944,  -1.085,   0.217)  ( -2.943,  -1.085,   0.218)  ( 0.02,  0.01,  0.01)
164:     strbnd  ( -1.362,   0.055,  -0.006)  ( -1.362,   0.055,  -0.006)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.001,  -0.023,  -0.087)  ( -0.001,  -0.023,  -0.087)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  6.765,   1.580,   0.691)  (  6.765,   1.580,   0.691)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 21       (  1.311,   2.298,   1.796)  (  1.312,   2.300,   1.798)  ( 0.07,  0.08,  0.10)
164:     bond    (  0.773,   1.536,   1.536)  (  0.773,   1.538,   1.538)  ( 0.03,  0.10,  0.10)
164:     angle   ( -2.380,   0.642,   0.554)  ( -2.380,   0.642,   0.554)  ( 0.02,  0.02,  0.01)
164:     strbnd  ( -1.349,  -0.045,  -0.017)  ( -1.349,  -0.045,  -0.017)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.034,   1.670,  -1.653)  ( -0.034,   1.670,  -1.653)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.301,  -1.506,   1.375)  (  4.301,  -1.506,   1.375)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 22       ( -2.919,   0.875,   1.448)  ( -2.916,   0.876,   1.450)  ( 0.08,  0.06,  0.11)
164:     bond    ( -1.870,  -0.110,   1.417)  ( -1.868,  -0.110,   1.418)  ( 0.12,  0.00,  0.09)
164:     angle   (  0.520,  -2.593,   0.484)  (  0.520,  -2.593,   0.484)  ( 0.01,  0.02,  0.01)
164:     strbnd  (  0.654,  -1.205,   0.011)  (  0.654,  -1.205,   0.011)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.476,  -0.834,  -2.010)  ( -1.476,  -0.834,  -2.010)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.746,   5.617,   1.547)  ( -0.746,   5.617,   1.547)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 23       ( -2.177,   4.626,   0.844)  ( -2.175,   4.628,   0.845)  ( 0.08,  0.05,  0.06)
164:     bond    (  1.483,   1.776,   0.765)  (  1.485,   1.778,   0.766)  ( 0.09,  0.10,  0.03)
164:     angle   (  2.624,  -2.307,   0.268)  (  2.625,  -2.307,   0.268)  ( 0.01,  0.01,  0.01)
164:     strbnd  (  0.634,  -1.241,  -0.006)  (  0.634,  -1.242,  -0.006)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.519,   0.264,  -1.620)  (  0.519,   0.264,  -1.620)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -7.437,   6.134,   1.436)  ( -7.437,   6.134,   1.436)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 24       ( -0.385,  -1.508,  -3.050)  ( -0.385,  -1.508,  -3.047)  ( 0.03,  0.04,  0.10)
164:     bond    ( -0.615,   0.404,  -1.895)  ( -0.615,   0.404,  -1.892)  ( 0.02,  0.01,  0.16)
164:     angle   (  0.873,  -1.806,  -0.669)  (  0.873,  -1.806,  -0.669)  ( 0.04,  0.03,  0.01)
164:     strbnd  (  0.665,  -1.206,   0.041)  (  0.665,  -1.206,   0.041)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.796,  -0.434,   0.166)  ( -0.796,  -0.434,   0.166)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.512,   1.534,  -0.692)  ( -0.512,   1.534,  -0.692)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: ok 20 # gradients 
164: ok 21 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
164:  1       (  0.967,   0.259,  -0.197)  (  0.972,   0.264,  -0.191)  ( 0.49,  0.14,  0.12)
164:     bond    (  0.905,   2.623,   8.120)  (  0.909,   2.627,   8.124)  ( 0.37,  0.15,  0.05)
164:     angle   (  7.385,   0.772,  -9.892)  (  7.388,   0.774,  -9.889)  ( 0.03,  0.16,  0.02)
164:     strbnd  (  0.181,   1.490,  -0.840)  (  0.180,   1.489,  -0.841)  ( 0.02,  0.06,  0.05)
164:     torsion ( -3.658,  -1.057,   2.616)  ( -3.658,  -1.057,   2.616)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.221,  -3.068,  -0.045)  ( -3.221,  -3.068,  -0.045)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.625,  -0.501,  -0.156)  ( -0.625,  -0.501,  -0.156)  ( 0.00,  0.00,  0.00)
164:  2       (  0.736,   0.034,   0.004)  (  0.742,   0.039,   0.010)  ( 0.41,  0.02,  0.00)
164:     bond    ( 11.123,  -1.351,  -2.048)  ( 11.127,  -1.347,  -2.044)  ( 0.04,  0.29,  0.21)
164:     angle   ( -8.045,   1.278,   9.737)  ( -8.043,   1.280,   9.739)  ( 0.03,  0.16,  0.02)
164:     strbnd  (  0.965,  -2.280,   1.631)  (  0.965,  -2.281,   1.630)  ( 0.07,  0.04,  0.02)
164:     torsion (  4.294,   0.736,  -3.479)  (  4.294,   0.736,  -3.478)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -7.601,   1.652,  -5.836)  ( -7.601,   1.652,  -5.836)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  3       (  0.562,   0.076,  -0.092)  (  0.566,   0.081,  -0.087)  ( 0.27,  0.04,  0.05)
164:     bond    (  6.097,  -9.677,  17.390)  (  6.101,  -9.673,  17.394)  ( 0.06,  0.04,  0.02)
164:     angle   ( -1.378,   4.252, -13.110)  ( -1.376,   4.254, -13.108)  ( 0.15,  0.05,  0.02)
164:     strbnd  (  0.257,   0.181,  -0.552)  (  0.256,   0.180,  -0.552)  ( 0.03,  0.01,  0.03)
164:     torsion ( -0.355,   2.764,   0.802)  ( -0.355,   2.764,   0.802)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -4.059,   2.557,  -4.623)  ( -4.059,   2.557,  -4.623)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  4       (  1.701,   0.453,   0.308)  (  1.706,   0.472,   0.382)  ( 0.30,  0.89,  2.27)
164:     bond    (  8.642,  10.885,  -8.146)  (  8.646,  10.889,  -8.142)  ( 0.04,  0.04,  0.05)
164:     angle   ( -7.598,  -8.113,  12.883)  ( -7.596,  -8.111,  12.884)  ( 0.03,  0.02,  0.01)
164:     strbnd  ( -1.384,   1.903,  -1.050)  ( -1.385,   1.903,  -1.050)  ( 0.08,  0.03,  0.05)
164:     torsion (  3.685,   2.177,  -4.847)  (  3.685,   2.177,  -4.846)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.002,  -0.088,  -0.446)  ( -0.002,  -0.075,  -0.377)  ( 0.00,  0.12,  3.03)
164:     vdw     ( -1.895,  -6.707,   1.430)  ( -1.894,  -6.706,   1.430)  ( 0.00,  0.00,  0.00)
164:     electro (  0.253,   0.395,   0.484)  (  0.253,   0.395,   0.484)  ( 0.00,  0.00,  0.00)
164:  5       ( -7.881,   4.561,  -0.394)  ( -7.870,   4.527,  -0.600)  ( 0.14,  0.76,  8.12)
164:     bond    (-12.705,  14.137,  -1.636)  (-12.697,  14.141,  -1.636)  ( 0.06,  0.03,  0.02)
164:     angle   (  1.253,   3.126,  -9.477)  (  1.254,   3.128,  -9.476)  ( 0.12,  0.05,  0.01)
164:     strbnd  (  1.419,  -3.117,   0.027)  (  1.419,  -3.117,   0.027)  ( 0.04,  0.02,  0.00)
164:     torsion ( -0.255,   1.581,   7.797)  ( -0.255,   1.581,   7.798)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.011,   0.244,   1.272)  ( -0.008,   0.203,   1.063)  ( 0.00,  0.98, 16.38)
164:     vdw     (  0.999, -11.742,   1.783)  (  0.999, -11.742,   1.783)  ( 0.02,  0.00,  0.00)
164:     electro (  1.419,   0.332,  -0.159)  (  1.419,   0.332,  -0.159)  ( 0.00,  0.00,  0.00)
164:  6       (  8.807,  -4.640,   1.194)  (  8.816,  -4.626,   1.216)  ( 0.11,  0.29,  1.77)
164:     bond    (  3.884,   4.853,  -0.204)  (  3.892,   4.858,  -0.204)  ( 0.19,  0.11,  0.01)
164:     angle   (  1.621,  -0.921,   2.154)  (  1.622,  -0.919,   2.155)  ( 0.08,  0.16,  0.02)
164:     strbnd  ( -1.690,   1.656,  -0.349)  ( -1.691,   1.655,  -0.349)  ( 0.04,  0.03,  0.00)
164:     torsion ( -0.062,  -0.722,  -2.668)  ( -0.062,  -0.722,  -2.667)  ( 0.00,  0.00,  0.04)
164:     oop     ( -0.011,  -0.030,  -0.074)  ( -0.010,  -0.023,  -0.055)  ( 0.00,  0.02,  0.14)
164:     vdw     (  4.938,  -9.590,   2.718)  (  4.938,  -9.589,   2.718)  ( 0.00,  0.00,  0.00)
164:     electro (  0.127,   0.114,  -0.383)  (  0.127,   0.114,  -0.383)  ( 0.00,  0.00,  0.00)
164:  7       ( -0.810,   0.444,  -0.283)  ( -0.806,   0.452,  -0.254)  ( 0.32,  0.37,  0.83)
164:     bond    (-11.282,  11.208,   0.541)  (-11.278,  11.212,   0.545)  ( 0.04,  0.03,  0.24)
164:     angle   (  9.286,  -4.053,  -3.402)  (  9.288,  -4.051,  -3.400)  ( 0.02,  0.05,  0.04)
164:     strbnd  (  0.811,  -0.072,  -0.853)  (  0.810,  -0.073,  -0.854)  ( 0.06,  0.01,  0.03)
164:     torsion ( -1.331,  -0.869,   0.696)  ( -1.331,  -0.869,   0.696)  ( 0.00,  0.00,  0.02)
164:     oop     (  0.009,  -0.020,  -0.131)  (  0.007,  -0.017,  -0.108)  ( 0.00,  0.01,  0.31)
164:     vdw     (  0.881,  -5.592,   2.703)  (  0.881,  -5.592,   2.703)  ( 0.01,  0.00,  0.00)
164:     electro (  0.815,  -0.158,   0.163)  (  0.815,  -0.158,   0.163)  ( 0.00,  0.00,  0.00)
164:  8       (  0.736,   0.178,   0.067)  (  0.740,   0.183,   0.072)  ( 0.35,  0.09,  0.04)
164:     bond    ( -1.261,  -2.729, -19.147)  ( -1.258,  -2.725, -19.143)  ( 0.27,  0.13,  0.02)
164:     angle   ( -9.942,   7.503,  26.405)  ( -9.940,   7.505,  26.407)  ( 0.02,  0.03,  0.01)
164:     strbnd  (  4.138,   2.113,   0.872)  (  4.137,   2.112,   0.871)  ( 0.02,  0.04,  0.03)
164:     torsion (  2.267,  -2.809,  -7.166)  (  2.267,  -2.809,  -7.166)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.533,  -3.900,  -0.897)  (  5.533,  -3.899,  -0.897)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  9       (  0.364,   0.232,  -0.008)  (  0.369,   0.237,  -0.002)  ( 0.20,  0.11,  0.00)
164:     bond    ( -6.983,  11.163,   5.799)  ( -6.980,  11.166,   5.803)  ( 0.06,  0.03,  0.07)
164:     angle   (  6.589,   0.564, -10.864)  (  6.592,   0.566, -10.862)  ( 0.04,  0.12,  0.02)
164:     strbnd  ( -4.331,  -9.696,   0.323)  ( -4.332,  -9.697,   0.323)  ( 0.02,  0.01,  0.01)
164:     torsion (  0.192,   1.536,   1.287)  (  0.192,   1.536,   1.287)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.897,  -3.334,   3.446)  (  4.897,  -3.334,   3.447)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 10       (  0.279,   0.320,   0.215)  (  0.284,   0.326,   0.221)  ( 0.13,  0.18,  0.13)
164:     bond    (  3.926,  16.947,  -8.842)  (  3.929,  16.951,  -8.838)  ( 0.09,  0.02,  0.05)
164:     angle   ( -6.642,  -8.727,   8.491)  ( -6.640,  -8.725,   8.493)  ( 0.03,  0.02,  0.02)
164:     strbnd  ( -1.913,  -4.925,   2.830)  ( -1.914,  -4.925,   2.830)  ( 0.05,  0.01,  0.02)
164:     torsion ( -1.013,  -0.173,  -1.195)  ( -1.013,  -0.173,  -1.195)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.922,  -2.802,  -1.070)  (  5.922,  -2.802,  -1.070)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 11       (  0.045,   0.535,   0.496)  (  0.051,   0.539,   0.502)  ( 0.03,  0.24,  0.29)
164:     bond    (-22.008,  -2.471,  -8.891)  (-22.004,  -2.468,  -8.886)  ( 0.02,  0.14,  0.05)
164:     angle   ( 15.128,   5.024,   5.636)  ( 15.130,   5.026,   5.638)  ( 0.01,  0.04,  0.03)
164:     strbnd  (  6.334,   1.549,   3.089)  (  6.333,   1.548,   3.089)  ( 0.01,  0.06,  0.02)
164:     torsion ( -1.616,   1.448,   1.166)  ( -1.616,   1.448,   1.166)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.209,  -5.015,  -0.504)  (  2.209,  -5.015,  -0.504)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 12       (  0.018,  -0.028,  -0.133)  (  0.022,  -0.023,  -0.128)  ( 0.01,  0.01,  0.07)
164:     bond    (-12.958,  14.537,  15.529)  (-12.956,  14.540,  15.533)  ( 0.02,  0.02,  0.03)
164:     angle   (  5.486, -21.711, -16.528)  (  5.488, -21.709, -16.526)  ( 0.04,  0.01,  0.01)
164:     strbnd  (  4.156,   8.341,  -1.058)  (  4.155,   8.340,  -1.059)  ( 0.02,  0.01,  0.04)
164:     torsion (  0.521,  -0.105,  -0.116)  (  0.521,  -0.105,  -0.116)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.814,  -1.090,   2.040)  (  2.814,  -1.090,   2.040)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 13       ( -0.345,  -0.098,  -0.425)  ( -0.340,  -0.093,  -0.420)  ( 0.16,  0.05,  0.21)
164:     bond    ( 19.196, -25.927,  -5.472)  ( 19.199, -25.923,  -5.468)  ( 0.02,  0.01,  0.07)
164:     angle   (-20.973,  31.110,   6.384)  (-20.971,  31.112,   6.386)  ( 0.01,  0.01,  0.03)
164:     strbnd  ( -1.801,  -4.659,   1.967)  ( -1.802,  -4.660,   1.966)  ( 0.04,  0.02,  0.03)
164:     torsion (  2.190,  -1.303,  -1.287)  (  2.190,  -1.303,  -1.287)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.043,   0.681,  -2.017)  (  1.043,   0.681,  -2.017)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 14       ( -0.307,  -0.668,  -1.189)  ( -0.302,  -0.663,  -1.183)  ( 0.14,  0.32,  0.49)
164:     bond    (-22.467,  22.959, -11.970)  (-22.463,  22.963, -11.965)  ( 0.01,  0.02,  0.04)
164:     angle   ( 20.677, -26.111,   8.252)  ( 20.679, -26.109,   8.254)  ( 0.01,  0.01,  0.02)
164:     strbnd  (  1.372,  -1.663,  -0.432)  (  1.371,  -1.664,  -0.432)  ( 0.07,  0.05,  0.02)
164:     torsion ( -0.738,   1.381,   1.027)  ( -0.738,   1.381,   1.027)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.849,   2.766,   1.934)  (  0.849,   2.766,   1.934)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 15       ( -0.779,  -0.703,  -0.742)  ( -0.774,  -0.698,  -0.735)  ( 0.36,  0.34,  0.45)
164:     bond    ( 11.046, -27.491,   7.813)  ( 11.049, -27.488,   7.817)  ( 0.03,  0.01,  0.06)
164:     angle   (-13.695,  29.364,  -9.854)  (-13.693,  29.366,  -9.852)  ( 0.01,  0.01,  0.02)
164:     strbnd  ( -1.160,   1.909,  -1.027)  ( -1.161,   1.909,  -1.027)  ( 0.08,  0.04,  0.03)
164:     torsion (  0.502,  -0.879,  -1.143)  (  0.502,  -0.879,  -1.143)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.527,  -3.606,   3.470)  (  2.528,  -3.606,   3.470)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 16       ( -1.065,  -0.614,   1.036)  ( -1.061,  -0.609,   1.042)  ( 0.45,  0.30,  0.57)
164:     bond    ( -9.763,  20.766,  -9.836)  ( -9.759,  20.769,  -9.832)  ( 0.04,  0.02,  0.05)
164:     angle   (  9.857, -21.778,   9.882)  (  9.859, -21.776,   9.884)  ( 0.02,  0.01,  0.02)
164:     strbnd  (  0.357,   0.332,   0.998)  (  0.356,   0.331,   0.998)  ( 0.03,  0.03,  0.03)
164:     torsion ( -0.978,   0.700,   0.353)  ( -0.978,   0.700,   0.353)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.539,  -0.634,  -0.360)  ( -0.539,  -0.634,  -0.360)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 17       ( -1.087,  -1.069,   0.177)  ( -1.083,  -1.064,   0.183)  ( 0.43,  0.46,  0.10)
164:     bond    ( -1.901, -13.454,  13.464)  ( -1.897, -13.450,  13.468)  ( 0.18,  0.03,  0.03)
164:     angle   (  1.193,   9.826, -16.679)  (  1.195,   9.828, -16.677)  ( 0.18,  0.02,  0.01)
164:     strbnd  ( -3.337,   0.795,   1.409)  ( -3.338,   0.794,   1.408)  ( 0.03,  0.08,  0.02)
164:     torsion (  0.974,   1.005,   1.909)  (  0.974,   1.005,   1.909)  ( 0.00,  0.01,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.983,   0.759,   0.074)  (  1.983,   0.759,   0.074)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 18       ( -0.972,  -1.131,   0.537)  ( -0.966,  -1.126,   0.543)  ( 0.57,  0.45,  0.31)
164:     bond    (  8.970,  -7.168,  -3.472)  (  8.974,  -7.164,  -3.467)  ( 0.05,  0.06,  0.13)
164:     angle   ( -7.660,   2.779,   4.648)  ( -7.658,   2.781,   4.650)  ( 0.02,  0.07,  0.04)
164:     strbnd  ( -0.534,  -1.586,   1.106)  ( -0.535,  -1.587,   1.106)  ( 0.03,  0.05,  0.04)
164:     torsion ( -0.534,  -0.161,  -0.695)  ( -0.534,  -0.161,  -0.695)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.214,   5.005,  -1.050)  ( -1.214,   5.005,  -1.050)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 19       ( -0.892,  -1.390,  -0.413)  ( -0.887,  -1.384,  -0.407)  ( 0.44,  0.43,  0.23)
164:     bond    (-14.431,   0.239,  -5.354)  (-14.427,   0.243,  -5.350)  ( 0.03,  0.11,  0.08)
164:     angle   (  5.190,  -0.465,   6.381)  (  5.192,  -0.463,   6.382)  ( 0.04,  0.09,  0.03)
164:     strbnd  (  2.347,  -0.745,   1.442)  (  2.346,  -0.746,   1.441)  ( 0.04,  0.03,  0.03)
164:     torsion (  0.871,  -0.786,  -1.907)  (  0.871,  -0.786,  -1.907)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.131,   0.367,  -0.974)  (  5.131,   0.367,  -0.974)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 20       ( -1.255,   0.127,  -0.110)  ( -1.249,   0.133,  -0.106)  ( 0.48,  0.08,  0.05)
164:     bond    (  4.252,  -7.565,  15.329)  (  4.256,  -7.560,  15.333)  ( 0.11,  0.06,  0.03)
164:     angle   (  1.408,   3.130,  -7.552)  (  1.409,   3.132,  -7.550)  ( 0.13,  0.06,  0.03)
164:     strbnd  (  0.392,   0.525,  -4.232)  (  0.392,   0.524,  -4.233)  ( 0.02,  0.03,  0.02)
164:     torsion ( -2.747,   1.008,   0.725)  ( -2.747,   1.008,   0.725)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -4.560,   3.029,  -4.380)  ( -4.560,   3.029,  -4.380)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 21       (  0.264,   0.125,  -0.017)  (  0.269,   0.129,  -0.012)  ( 0.13,  0.06,  0.01)
164:     bond    ( 20.008,  -3.510,  -2.218)  ( 20.012,  -3.507,  -2.215)  ( 0.02,  0.09,  0.15)
164:     angle   (-15.231,  -7.030,   0.649)  (-15.229,  -7.028,   0.651)  ( 0.01,  0.03,  0.15)
164:     strbnd  ( -8.351,  11.149,   4.002)  ( -8.352,  11.148,   4.001)  ( 0.01,  0.01,  0.02)
164:     torsion (  1.984,  -2.010,  -1.712)  (  1.984,  -2.010,  -1.712)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.854,   1.526,  -0.737)  (  1.854,   1.526,  -0.737)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 22       (  0.427,   0.342,  -0.042)  (  0.433,   0.348,  -0.037)  ( 0.25,  0.20,  0.02)
164:     bond    (  4.959,  -8.811, -19.046)  (  4.964,  -8.806, -19.042)  ( 0.09,  0.05,  0.02)
164:     angle   ( -3.781,   3.630,  13.839)  ( -3.779,   3.632,  13.841)  ( 0.05,  0.05,  0.01)
164:     strbnd  (  1.990,  -1.284,  -2.382)  (  1.989,  -1.285,  -2.383)  ( 0.02,  0.04,  0.04)
164:     torsion ( -0.424,  -0.578,   0.131)  ( -0.424,  -0.578,   0.131)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.317,   7.386,   7.417)  ( -2.317,   7.386,   7.417)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 23       (  0.262,   0.237,   0.013)  (  0.267,   0.243,   0.019)  ( 0.12,  0.14,  0.01)
164:     bond    ( -9.101, -14.027,  14.486)  ( -9.097, -14.023,  14.490)  ( 0.04,  0.03,  0.03)
164:     angle   ( 10.251,   5.425, -14.704)  ( 10.253,   5.427, -14.702)  ( 0.02,  0.04,  0.01)
164:     strbnd  (  4.541,  -0.227,   0.888)  (  4.540,  -0.227,   0.888)  ( 0.02,  0.01,  0.06)
164:     torsion ( -1.610,   3.720,   3.452)  ( -1.610,   3.720,   3.452)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.819,   5.346,  -4.109)  ( -3.819,   5.346,  -4.109)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 24       (  0.357,   0.362,   0.364)  (  0.362,   0.367,   0.370)  ( 0.18,  0.17,  0.22)
164:     bond    ( 21.264, -13.824,  -2.826)  ( 21.268, -13.820,  -2.821)  ( 0.02,  0.03,  0.16)
164:     angle   (-16.268,  12.918,  11.920)  (-16.266,  12.920,  11.922)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( -2.042,  -2.702,   2.306)  ( -2.043,  -2.703,   2.305)  ( 0.04,  0.04,  0.01)
164:     torsion (  0.242,  -0.309,  -3.665)  (  0.242,  -0.309,  -3.665)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.840,   4.280,  -7.371)  ( -2.839,   4.280,  -7.371)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 25       (  0.298,   0.643,   0.076)  (  0.302,   0.648,   0.081)  ( 0.13,  0.32,  0.04)
164:     bond    (-17.007,  -1.605,  19.177)  (-17.004,  -1.602,  19.181)  ( 0.02,  0.21,  0.02)
164:     angle   ( 20.289, -11.578, -20.050)  ( 20.291, -11.576, -20.048)  ( 0.01,  0.02,  0.01)
164:     strbnd  (  0.219,   4.268,  -0.478)  (  0.218,   4.267,  -0.478)  ( 0.02,  0.02,  0.02)
164:     torsion ( -1.834,   2.984,   4.550)  ( -1.834,   2.984,   4.550)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.369,   6.574,  -3.124)  ( -1.369,   6.574,  -3.124)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 26       (  1.237,  -0.464,   0.129)  (  1.240,  -0.447,   0.209)  ( 0.28,  0.80,  1.04)
164:     bond    ( 15.847,  -1.098,  -7.962)  ( 15.850,  -1.095,  -7.959)  ( 0.02,  0.29,  0.04)
164:     angle   (-11.285,  -1.723,  11.202)  (-11.283,  -1.722,  11.203)  ( 0.02,  0.12,  0.02)
164:     strbnd  ( -2.536,   2.403,   1.664)  ( -2.537,   2.402,   1.663)  ( 0.03,  0.03,  0.04)
164:     torsion (  1.195,  -2.901,  -3.945)  (  1.195,  -2.901,  -3.945)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.005,  -0.076,  -0.452)  (  0.004,  -0.063,  -0.376)  ( 0.00,  0.10,  3.40)
164:     vdw     ( -1.368,   2.242,  -0.525)  ( -1.367,   2.242,  -0.525)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.621,   0.690,   0.148)  ( -0.621,   0.690,   0.148)  ( 0.00,  0.00,  0.00)
164: 27       (  0.236,   0.612,   0.037)  (  0.242,   0.618,   0.042)  ( 0.14,  0.35,  0.02)
164:     bond    (  5.055, -10.233, -17.302)  (  5.059, -10.229, -17.298)  ( 0.09,  0.04,  0.02)
164:     angle   ( -3.183,   7.842,  10.800)  ( -3.181,   7.843,  10.802)  ( 0.06,  0.02,  0.02)
164:     strbnd  (  1.203,   0.907,  -0.607)  (  1.203,   0.907,  -0.608)  ( 0.04,  0.05,  0.06)
164:     torsion ( -0.959,  -0.405,  -0.114)  ( -0.959,  -0.405,  -0.114)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.881,   2.501,   7.260)  ( -1.880,   2.501,   7.260)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 28       (  0.896,  -0.479,  -0.925)  (  0.900,  -0.477,  -0.920)  ( 0.38,  0.08,  0.45)
164:     bond    (  7.820,   3.623,  -3.208)  (  7.824,   3.624,  -3.204)  ( 0.05,  0.03,  0.12)
164:     angle   ( -2.167,   1.247,   4.426)  ( -2.166,   1.247,   4.428)  ( 0.01,  0.03,  0.03)
164:     strbnd  (  0.310,   0.219,   0.140)  (  0.310,   0.219,   0.140)  ( 0.00,  0.00,  0.01)
164:     torsion (  0.871,  -2.454,  -0.635)  (  0.871,  -2.454,  -0.635)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.614,  -2.920,  -1.379)  ( -3.614,  -2.920,  -1.379)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.324,  -0.193,  -0.270)  ( -2.323,  -0.193,  -0.270)  ( 0.00,  0.00,  0.00)
164: 29       (  0.408,   0.492,   0.031)  (  0.409,   0.493,   0.034)  ( 0.03,  0.06,  0.01)
164:     bond    ( -1.093,   2.730,   5.745)  ( -1.093,   2.731,   5.748)  ( 0.01,  0.02,  0.04)
164:     angle   ( -0.447,  -1.804,   0.772)  ( -0.446,  -1.803,   0.772)  ( 0.03,  0.03,  0.01)
164:     strbnd  ( -0.651,  -1.825,  -2.101)  ( -0.651,  -1.825,  -2.101)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.322,  -0.173,   0.334)  (  1.322,  -0.173,   0.334)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.277,   1.563,  -4.719)  (  1.277,   1.563,  -4.719)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 30       (  0.503,   0.033,   0.106)  (  0.504,   0.034,   0.109)  ( 0.04,  0.00,  0.03)
164:     bond    (  0.388,  -0.566,  -1.877)  (  0.388,  -0.566,  -1.874)  ( 0.01,  0.02,  0.16)
164:     angle   ( -1.222,   1.435,  -0.686)  ( -1.222,   1.436,  -0.686)  ( 0.05,  0.04,  0.00)
164:     strbnd  ( -0.562,   0.515,   1.009)  ( -0.562,   0.515,   1.009)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.037,   0.246,  -0.289)  ( -1.037,   0.246,  -0.289)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.936,  -1.598,   1.950)  (  2.936,  -1.598,   1.950)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 31       (  0.438,   0.182,   0.134)  (  0.439,   0.183,   0.137)  ( 0.04,  0.02,  0.04)
164:     bond    ( -1.114,   1.979,   6.032)  ( -1.114,   1.980,   6.035)  ( 0.01,  0.02,  0.05)
164:     angle   ( -0.690,   1.900,  -0.751)  ( -0.689,   1.901,  -0.751)  ( 0.04,  0.03,  0.01)
164:     strbnd  (  0.022,  -0.078,  -2.039)  (  0.022,  -0.078,  -2.039)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.783,   1.067,  -0.206)  (  0.783,   1.067,  -0.206)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.437,  -4.688,  -2.903)  (  1.437,  -4.687,  -2.903)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 32       (  1.763,   0.235,  -0.010)  (  1.764,   0.236,  -0.007)  ( 0.05,  0.03,  0.00)
164:     bond    ( -0.495,   1.091,   2.241)  ( -0.495,   1.092,   2.244)  ( 0.01,  0.06,  0.12)
164:     angle   ( -0.145,   0.135,  -0.098)  ( -0.144,   0.135,  -0.098)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -0.003,  -0.325,  -0.202)  ( -0.003,  -0.325,  -0.202)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.861,   0.535,   0.150)  (  1.861,   0.535,   0.150)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.545,  -1.202,  -2.101)  (  0.545,  -1.202,  -2.101)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 33       (  0.648,   0.036,  -0.155)  (  0.650,   0.037,  -0.153)  ( 0.11,  0.00,  0.03)
164:     bond    (  2.130,  -0.511,   2.443)  (  2.132,  -0.511,   2.445)  ( 0.07,  0.00,  0.08)
164:     angle   (  2.580,  -0.905,  -2.439)  (  2.580,  -0.904,  -2.439)  ( 0.01,  0.05,  0.01)
164:     strbnd  ( -0.613,   0.221,  -1.607)  ( -0.613,   0.221,  -1.607)  ( 0.00,  0.00,  0.00)
164:     torsion ( -2.226,   0.124,   1.967)  ( -2.226,   0.125,   1.967)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.223,   1.107,  -0.518)  ( -1.223,   1.107,  -0.518)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 34       (  0.623,  -0.025,  -0.099)  (  0.624,  -0.024,  -0.096)  ( 0.07,  0.00,  0.02)
164:     bond    (  1.205,  -1.083,  -2.206)  (  1.205,  -1.082,  -2.204)  ( 0.05,  0.05,  0.10)
164:     angle   (  4.429,  -0.679,   2.755)  (  4.430,  -0.679,   2.755)  ( 0.01,  0.03,  0.01)
164:     strbnd  ( -0.025,   0.560,   1.229)  ( -0.025,   0.560,   1.229)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.189,  -0.747,  -0.284)  ( -1.189,  -0.747,  -0.284)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.797,   1.923,  -1.593)  ( -3.797,   1.923,  -1.593)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 35       (  0.727,   0.236,   0.113)  (  0.728,   0.237,   0.115)  ( 0.07,  0.02,  0.03)
164:     bond    ( -1.135,   1.111,   3.160)  ( -1.134,   1.111,   3.163)  ( 0.03,  0.03,  0.08)
164:     angle   (  2.191,   0.137,   0.737)  (  2.191,   0.138,   0.737)  ( 0.03,  0.01,  0.01)
164:     strbnd  (  1.028,  -1.182,  -0.643)  (  1.028,  -1.182,  -0.643)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.059,  -1.190,   0.439)  (  0.059,  -1.190,   0.439)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.416,   1.359,  -3.581)  ( -1.416,   1.359,  -3.581)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 36       (  0.488,   0.270,  -0.116)  (  0.489,   0.274,  -0.116)  ( 0.04,  0.09,  0.01)
164:     bond    (  0.456,  -2.299,   0.220)  (  0.456,  -2.296,   0.220)  ( 0.01,  0.14,  0.00)
164:     angle   (  2.467,   0.624,   1.393)  (  2.468,   0.624,   1.393)  ( 0.02,  0.00,  0.04)
164:     strbnd  (  0.024,   1.326,   0.945)  (  0.024,   1.326,   0.945)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.177,  -0.003,  -0.400)  (  0.177,  -0.003,  -0.399)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.636,   0.622,  -2.274)  ( -2.636,   0.622,  -2.274)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 37       (  0.151,   1.287,   0.431)  (  0.152,   1.288,   0.434)  ( 0.02,  0.05,  0.13)
164:     bond    (  1.073,  -0.388,  -2.975)  (  1.074,  -0.388,  -2.972)  ( 0.04,  0.00,  0.10)
164:     angle   ( -0.794,   2.840,  -0.658)  ( -0.793,   2.841,  -0.658)  ( 0.04,  0.02,  0.00)
164:     strbnd  ( -0.284,   0.981,   1.653)  ( -0.284,   0.981,   1.653)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.057,  -0.640,  -0.298)  ( -1.057,  -0.640,  -0.298)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.212,  -1.506,   2.709)  (  1.212,  -1.506,   2.709)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 38       (  0.339,   0.476,   1.257)  (  0.340,   0.479,   1.258)  ( 0.03,  0.15,  0.04)
164:     bond    ( -0.805,   4.071,   0.318)  ( -0.805,   4.074,   0.318)  ( 0.01,  0.08,  0.00)
164:     angle   (  5.353,   1.181,  -1.582)  (  5.354,   1.181,  -1.581)  ( 0.01,  0.00,  0.03)
164:     strbnd  (  0.930,  -1.391,  -0.658)  (  0.930,  -1.391,  -0.658)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.899,  -0.571,   2.506)  ( -1.899,  -0.571,   2.506)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.240,  -2.814,   0.673)  ( -3.240,  -2.814,   0.673)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 39       (  0.197,   1.934,  -0.224)  (  0.197,   1.941,  -0.201)  ( 0.01,  0.38,  0.52)
164:     bond    ( -0.322,   6.022,  -1.065)  ( -0.322,   6.026,  -1.065)  ( 0.00,  0.06,  0.01)
164:     angle   ( -3.546,  -0.243,  -0.303)  ( -3.546,  -0.243,  -0.303)  ( 0.02,  0.00,  0.00)
164:     strbnd  (  0.529,  -2.091,   0.417)  (  0.529,  -2.091,   0.417)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.017,   0.060,   0.336)  (  0.017,   0.060,   0.337)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.010,  -0.029,  -0.170)  (  0.009,  -0.026,  -0.147)  ( 0.00,  0.01,  0.39)
164:     vdw     (  2.635,  -1.088,   0.220)  (  2.635,  -1.088,   0.220)  ( 0.00,  0.00,  0.00)
164:     electro (  0.875,  -0.697,   0.340)  (  0.875,  -0.697,   0.340)  ( 0.00,  0.00,  0.00)
164: 40       (  0.840,  -0.019,  -0.312)  (  0.841,  -0.018,  -0.309)  ( 0.11,  0.00,  0.07)
164:     bond    ( -1.264,   0.699,  -1.919)  ( -1.263,   0.699,  -1.917)  ( 0.07,  0.02,  0.11)
164:     angle   (  0.476,   0.291,  -0.208)  (  0.477,   0.292,  -0.208)  ( 0.02,  0.02,  0.00)
164:     strbnd  (  0.323,   0.150,   1.507)  (  0.323,   0.150,   1.507)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.949,   0.716,  -0.364)  (  0.949,   0.716,  -0.364)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.355,  -1.875,   0.672)  (  0.355,  -1.875,   0.672)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 41       (  0.302,   0.253,  -0.644)  (  0.303,   0.254,  -0.641)  ( 0.04,  0.02,  0.15)
164:     bond    ( -1.052,   0.652,   1.694)  ( -1.051,   0.653,   1.696)  ( 0.08,  0.02,  0.13)
164:     angle   (  1.336,   3.153,  -0.385)  (  1.337,   3.153,  -0.384)  ( 0.03,  0.02,  0.01)
164:     strbnd  (  0.202,   0.175,  -1.360)  (  0.202,   0.175,  -1.360)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.348,  -0.299,  -0.101)  ( -0.348,  -0.299,  -0.101)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.164,  -3.428,  -0.491)  (  0.164,  -3.428,  -0.491)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 42       (  0.242,  -0.051,   0.087)  (  0.243,  -0.051,   0.090)  ( 0.02,  0.00,  0.03)
164:     bond    (  0.344,   0.091,  -1.789)  (  0.344,   0.091,  -1.786)  ( 0.00,  0.00,  0.18)
164:     angle   ( -2.274,   1.718,  -0.351)  ( -2.274,   1.718,  -0.351)  ( 0.02,  0.03,  0.00)
164:     strbnd  (  0.055,   0.966,   0.467)  (  0.055,   0.966,   0.467)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.347,   0.529,   0.094)  (  0.347,   0.529,   0.094)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.770,  -3.355,   1.666)  (  1.770,  -3.355,   1.666)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 43       (  0.647,   0.422,  -0.099)  (  0.648,   0.424,  -0.099)  ( 0.07,  0.12,  0.01)
164:     bond    ( -0.598,   1.361,   0.419)  ( -0.597,   1.363,   0.420)  ( 0.03,  0.19,  0.01)
164:     angle   (  0.254,   1.061,  -3.086)  (  0.255,   1.061,  -3.085)  ( 0.01,  0.01,  0.02)
164:     strbnd  (  0.585,   0.274,  -0.771)  (  0.585,   0.274,  -0.771)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.431,  -0.894,   2.291)  ( -0.431,  -0.894,   2.291)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.837,  -1.379,   1.046)  (  0.837,  -1.379,   1.046)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 44       ( -0.948,   0.980,   0.797)  ( -0.947,   0.982,   0.799)  ( 0.08,  0.11,  0.21)
164:     bond    ( -0.079,  -0.094,  -0.209)  ( -0.078,  -0.094,  -0.207)  ( 0.00,  0.00,  0.05)
164:     angle   ( -1.561,   3.754,  -1.115)  ( -1.561,   3.755,  -1.115)  ( 0.03,  0.01,  0.01)
164:     strbnd  ( -1.025,   0.299,   0.384)  ( -1.025,   0.299,   0.384)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.309,  -1.025,   0.349)  (  0.309,  -1.025,   0.349)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.408,  -1.954,   1.389)  (  1.408,  -1.954,   1.389)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 45       (  0.684,   0.907,   1.369)  (  0.687,   0.908,   1.370)  ( 0.16,  0.08,  0.09)
164:     bond    ( -1.901,   0.820,   1.194)  ( -1.899,   0.820,   1.195)  ( 0.11,  0.03,  0.07)
164:     angle   ( -0.217,  -0.147,  -0.244)  ( -0.216,  -0.146,  -0.243)  ( 0.00,  0.01,  0.01)
164:     strbnd  ( -0.303,  -0.559,  -1.117)  ( -0.303,  -0.559,  -1.117)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.043,   1.144,   0.873)  (  1.043,   1.144,   0.873)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.062,  -0.352,   0.663)  (  2.062,  -0.352,   0.663)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 46       (  0.367,  -0.348,   0.007)  (  0.368,  -0.346,   0.010)  ( 0.03,  0.04,  0.00)
164:     bond    ( -0.743,   1.942,   5.648)  ( -0.743,   1.943,   5.651)  ( 0.01,  0.02,  0.05)
164:     angle   ( -0.834,   2.429,  -0.945)  ( -0.833,   2.430,  -0.945)  ( 0.05,  0.03,  0.01)
164:     strbnd  ( -0.401,  -0.284,  -2.968)  ( -0.401,  -0.284,  -2.968)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.439,  -1.217,   0.361)  ( -0.439,  -1.217,   0.361)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.784,  -3.218,  -2.089)  (  2.784,  -3.218,  -2.089)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 47       (  0.015,  -0.265,   0.203)  (  0.016,  -0.264,   0.204)  ( 0.00,  0.04,  0.03)
164:     bond    (  0.405,  -0.387,  -0.424)  (  0.406,  -0.386,  -0.423)  ( 0.05,  0.04,  0.05)
164:     angle   ( -2.172,  -2.780,   0.450)  ( -2.171,  -2.779,   0.451)  ( 0.02,  0.01,  0.02)
164:     strbnd  ( -0.734,   0.044,   1.793)  ( -0.734,   0.044,   1.793)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.276,  -0.075,  -0.196)  ( -0.276,  -0.075,  -0.196)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.791,   2.933,  -1.421)  (  2.791,   2.933,  -1.421)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 48       ( -0.723,  -0.153,  -2.370)  ( -0.721,  -0.151,  -2.369)  ( 0.12,  0.03,  0.05)
164:     bond    ( -0.977,   1.037,   0.786)  ( -0.976,   1.038,   0.787)  ( 0.12,  0.13,  0.06)
164:     angle   ( -0.242,   0.074,  -0.397)  ( -0.241,   0.074,  -0.397)  ( 0.01,  0.00,  0.01)
164:     strbnd  (  0.015,  -0.149,  -2.101)  (  0.015,  -0.149,  -2.101)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.303,   0.391,  -0.890)  ( -0.303,   0.391,  -0.890)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.783,  -1.505,   0.233)  (  0.783,  -1.505,   0.233)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 49       (  0.608,  -1.419,  -1.523)  (  0.609,  -1.418,  -1.520)  ( 0.04,  0.06,  0.21)
164:     bond    ( -0.234,   0.800,  -3.501)  ( -0.234,   0.800,  -3.498)  ( 0.00,  0.01,  0.09)
164:     angle   ( -0.364,  -2.283,  -0.498)  ( -0.363,  -2.283,  -0.498)  ( 0.02,  0.02,  0.00)
164:     strbnd  ( -1.308,   0.802,   1.925)  ( -1.308,   0.802,   1.925)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.209,  -1.267,  -0.371)  (  1.209,  -1.267,  -0.371)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.305,   0.529,   0.922)  (  1.305,   0.529,   0.922)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 50       ( -1.926,  -0.688,  -1.325)  ( -1.925,  -0.687,  -1.323)  ( 0.05,  0.11,  0.15)
164:     bond    (  1.132,  -1.684,  -2.127)  (  1.132,  -1.683,  -2.125)  ( 0.04,  0.07,  0.08)
164:     angle   ( -0.386,   0.713,  -0.771)  ( -0.386,   0.714,  -0.771)  ( 0.02,  0.03,  0.02)
164:     strbnd  ( -0.234,  -0.477,   1.916)  ( -0.234,  -0.478,   1.916)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.839,   0.814,  -1.092)  ( -0.839,   0.814,  -1.092)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.600,  -0.054,   0.749)  ( -1.600,  -0.054,   0.749)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 51       (  0.141,  -0.997,  -1.237)  (  0.142,  -0.996,  -1.234)  ( 0.01,  0.10,  0.23)
164:     bond    ( -0.459,   0.602,  -1.366)  ( -0.459,   0.603,  -1.364)  ( 0.01,  0.03,  0.19)
164:     angle   ( -4.840,  -2.593,   0.483)  ( -4.839,  -2.592,   0.483)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( -0.066,  -0.914,  -1.669)  ( -0.066,  -0.914,  -1.669)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.609,  -0.569,  -0.456)  (  0.609,  -0.569,  -0.456)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.897,   2.477,   1.772)  (  4.897,   2.477,   1.772)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 52       ( -2.339,   0.741,   1.932)  ( -2.338,   0.742,   1.935)  ( 0.04,  0.05,  0.15)
164:     bond    ( -0.579,   0.431,  -1.609)  ( -0.579,   0.431,  -1.606)  ( 0.02,  0.01,  0.17)
164:     angle   ( -0.609,   2.084,   0.779)  ( -0.609,   2.085,   0.779)  ( 0.03,  0.02,  0.01)
164:     strbnd  (  0.098,   0.859,   1.399)  (  0.098,   0.859,   1.399)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.384,  -0.338,   0.048)  ( -0.384,  -0.338,   0.048)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.864,  -2.295,   1.315)  ( -0.864,  -2.295,   1.315)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 53       (  0.056,  -1.491,   2.539)  (  0.057,  -1.489,   2.541)  ( 0.01,  0.13,  0.06)
164:     bond    ( -1.594,   2.825,   2.595)  ( -1.593,   2.827,   2.597)  ( 0.03,  0.05,  0.05)
164:     angle   ( -1.514,  -2.295,   1.569)  ( -1.514,  -2.295,   1.569)  ( 0.03,  0.01,  0.02)
164:     strbnd  (  0.494,  -0.602,  -2.308)  (  0.494,  -0.602,  -2.308)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.240,  -0.042,   0.806)  (  1.240,  -0.042,   0.806)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.431,  -1.377,  -0.123)  (  1.431,  -1.377,  -0.123)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 54       ( -1.751,  -1.353,   0.152)  ( -1.750,  -1.352,   0.155)  ( 0.04,  0.06,  0.05)
164:     bond    ( -0.353,   0.090,   4.018)  ( -0.353,   0.090,   4.021)  ( 0.00,  0.00,  0.08)
164:     angle   ( -0.173,  -0.584,  -0.002)  ( -0.173,  -0.583,  -0.002)  ( 0.01,  0.04,  0.00)
164:     strbnd  (  0.100,  -0.938,  -1.958)  (  0.100,  -0.938,  -1.958)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.477,  -0.328,  -0.122)  ( -1.476,  -0.328,  -0.122)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.153,   0.407,  -1.784)  (  0.153,   0.407,  -1.784)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 55       ( -0.691,  -0.566,  -0.526)  ( -0.688,  -0.566,  -0.525)  ( 0.22,  0.04,  0.04)
164:     bond    ( -0.658,  -0.057,  -0.193)  ( -0.655,  -0.057,  -0.193)  ( 0.21,  0.00,  0.01)
164:     angle   (  0.205,  -4.548,   0.655)  (  0.205,  -4.547,   0.655)  ( 0.00,  0.01,  0.03)
164:     strbnd  ( -0.169,  -0.573,  -0.356)  ( -0.169,  -0.573,  -0.356)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.064,   0.110,  -0.250)  (  0.064,   0.110,  -0.250)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.132,   4.501,  -0.381)  ( -0.132,   4.502,  -0.381)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 56       ( -1.939,  -2.205,   0.809)  ( -1.938,  -2.204,   0.812)  ( 0.03,  0.03,  0.27)
164:     bond    ( -0.033,  -0.223,  -1.036)  ( -0.033,  -0.223,  -1.033)  ( 0.00,  0.00,  0.31)
164:     angle   (  0.267,  -3.200,   0.682)  (  0.267,  -3.200,   0.682)  ( 0.01,  0.02,  0.00)
164:     strbnd  (  0.445,  -0.392,   0.323)  (  0.445,  -0.392,   0.323)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.267,  -0.189,   0.049)  ( -0.267,  -0.189,   0.049)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.350,   1.799,   0.791)  ( -2.350,   1.799,   0.791)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 57       ( 47.292,  52.205, -38.554)  ( 47.297,  52.209, -38.549)  ( 0.01,  0.01,  0.01)
166:     bond    ( 26.876,  35.751, -12.136)  ( 26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
166:     angle   (  0.078,  -0.014,  -0.007)  (  0.079,  -0.013,  -0.006)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( 17.157,  20.000, -12.414)  ( 17.159,  20.000, -12.413)  ( 0.01,  0.00,  0.01)
166:     torsion (  0.014,   0.019,   0.017)  (  0.014,   0.019,   0.017)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.002,   0.006,   0.005)  (  0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.164,  -3.556, -14.019)  (  3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 58       (  3.504, -53.454,  17.121)  (  3.509, -53.448,  17.126)  ( 0.15,  0.01,  0.02)
166:     bond    (-12.452, -26.537,  26.356)  (-12.448, -26.533,  26.357)  ( 0.04,  0.01,  0.01)
166:     angle   ( -9.977,   5.381,  -2.072)  ( -9.975,   5.383,  -2.071)  ( 0.02,  0.04,  0.05)
166:     strbnd  ( 29.601, -21.772,  10.437)  ( 29.601, -21.772,  10.438)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.442,  -1.853,  -6.723)  (  1.442,  -1.853,  -6.722)  ( 0.02,  0.02,  0.01)
166:     oop     (  0.004,  -0.006,  -0.012)  (  0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.113,  -8.667, -10.865)  ( -5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 59       ( 57.517, -33.972,  18.680)  ( 57.526, -33.965,  18.684)  ( 0.02,  0.02,  0.02)
166:     bond    ( 43.256,  -7.494,  14.575)  ( 43.260,  -7.491,  14.577)  ( 0.01,  0.04,  0.01)
166:     angle   ( -5.272,   6.049,  -3.749)  ( -5.270,   6.051,  -3.748)  ( 0.03,  0.03,  0.03)
166:     strbnd  ( 14.441, -25.674,  15.790)  ( 14.443, -25.673,  15.791)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.018,   1.819,   2.940)  ( -0.018,   1.820,   2.940)  ( 0.00,  0.02,  0.02)
166:     oop     ( -0.004,  -0.006,  -0.012)  ( -0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     (  5.113,  -8.667, -10.865)  (  5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 60       (-52.445, -20.208,   0.196)  (-52.439, -20.201,   0.199)  ( 0.01,  0.04,  0.06)
166:     bond    (-30.817, -15.091,  19.379)  (-30.813, -15.086,  19.380)  ( 0.01,  0.03,  0.00)
166:     angle   (  5.186,  -6.105,   3.821)  (  5.188,  -6.103,   3.822)  ( 0.04,  0.03,  0.02)
166:     strbnd  (-26.815,  14.635, -11.154)  (-26.815,  14.635, -11.154)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.000,  -1.831,  -2.952)  (  0.001,  -1.831,  -2.951)  ( 0.00,  0.01,  0.02)
166:     oop     ( -0.000,   0.005,   0.010)  (  0.000,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.000, -11.821,  -8.908)  ( -0.000, -11.821,  -8.908)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: ok 18 # gradients 
166: ok 19 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
166:  1       ( 47.614,  10.906,   0.039)  ( 47.621,  10.915,   0.093)  ( 0.02,  0.08,  0.21)
166:     bond    ( 30.636,  -6.297,   0.167)  ( 30.642,  -6.289,   0.167)  ( 0.02,  0.13,  0.00)
166:     angle   ( 32.862,  34.136,   0.480)  ( 32.865,  34.139,   0.480)  ( 0.01,  0.01,  0.00)
166:     strbnd  (-13.324,  -8.673,  -0.104)  (-13.325,  -8.674,  -0.104)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.006,   0.007,  -0.513)  (  0.006,   0.007,  -0.512)  ( 0.00,  0.00,  0.06)
166:     oop     (  0.002,   0.002,  -0.095)  (  0.001,   0.002,  -0.042)  ( 0.00,  0.00,  0.50)
166:     vdw     ( -4.980, -11.257,   0.121)  ( -4.980, -11.256,   0.121)  ( 0.00,  0.00,  0.00)
166:     electro (  2.412,   2.988,  -0.017)  (  2.412,   2.988,  -0.017)  ( 0.00,  0.00,  0.00)
166:  2       (-60.261, -26.975,  -1.911)  (-60.251, -26.967,  -1.824)  ( 0.02,  0.03,  4.56)
166:     bond    (-30.553,  -9.880,   0.169)  (-30.547,  -9.873,   0.169)  ( 0.02,  0.07,  0.00)
166:     angle   (-46.521, -10.271,   0.396)  (-46.518, -10.269,   0.396)  ( 0.01,  0.02,  0.00)
166:     strbnd  ( 17.496,  -2.306,  -0.133)  ( 17.495,  -2.306,  -0.133)  ( 0.00,  0.03,  0.00)
166:     torsion ( -0.025,   0.014,  -1.717)  ( -0.025,   0.014,  -1.715)  ( 0.00,  0.00,  0.08)
166:     oop     ( -0.003,   0.003,  -0.342)  ( -0.002,   0.003,  -0.256)  ( 0.00,  0.00,  2.94)
166:     vdw     (  1.588, -12.705,  -0.305)  (  1.588, -12.704,  -0.305)  ( 0.01,  0.00,  0.00)
166:     electro ( -2.243,   8.169,   0.021)  ( -2.243,   8.169,   0.021)  ( 0.00,  0.00,  0.00)
166:  3       ( 23.923, -14.162,   0.682)  ( 23.930, -14.154,   0.630)  ( 0.03,  0.06,  3.56)
166:     bond    ( 39.764,   9.492,  -0.196)  ( 39.769,   9.499,  -0.196)  ( 0.01,  0.07,  0.00)
166:     angle   ( -9.543, -33.981,   0.308)  ( -9.540, -33.979,   0.308)  ( 0.03,  0.01,  0.01)
166:     strbnd  ( -7.639,   9.515,  -0.055)  ( -7.639,   9.513,  -0.055)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.006,   0.806,   0.449)  (  0.006,   0.806,   0.450)  ( 0.00,  0.00,  0.05)
166:     oop     (  0.002,  -0.000,   0.198)  (  0.001,  -0.000,   0.145)  ( 0.00,  0.00,  1.06)
166:     vdw     (  9.366,   0.886,   0.003)  (  9.367,   0.886,   0.003)  ( 0.00,  0.00,  0.00)
166:     electro ( -8.034,  -0.879,  -0.025)  ( -8.034,  -0.879,  -0.025)  ( 0.00,  0.00,  0.00)
166:  4       (  0.151,  -4.788,  -0.160)  (  0.160,  -4.776,  -0.094)  ( 0.15,  0.26,  1.05)
166:     bond    (-10.729, -14.628,   0.267)  (-10.721, -14.617,   0.267)  ( 0.08,  0.07,  0.01)
166:     angle   ( 32.474,  51.618,  -0.713)  ( 32.476,  51.622,  -0.713)  ( 0.01,  0.01,  0.01)
166:     strbnd  (-21.280, -41.834,   0.455)  (-21.281, -41.837,   0.455)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.002,   0.006,   0.844)  (  0.002,   0.006,   0.845)  ( 0.00,  0.00,  0.09)
166:     oop     ( -0.003,  -0.003,  -0.380)  ( -0.002,  -0.003,  -0.316)  ( 0.00,  0.00,  2.45)
166:     vdw     (  7.224,  10.517,  -0.632)  (  7.224,  10.517,  -0.632)  ( 0.00,  0.00,  0.00)
166:     electro ( -7.539, -10.463,  -0.002)  ( -7.539, -10.463,  -0.002)  ( 0.00,  0.00,  0.00)
166:  5       ( 32.855,  54.085,  -1.761)  ( 32.859,  54.093,  -1.789)  ( 0.01,  0.01,  1.56)
166:     bond    ( 14.954,  25.801,  -0.346)  ( 14.956,  25.809,  -0.346)  ( 0.02,  0.03,  0.00)
166:     angle   ( -0.954,   0.553,   0.090)  ( -0.953,   0.554,   0.090)  ( 0.07,  0.01,  0.00)
166:     strbnd  ( 15.993,  27.797,  -0.361)  ( 15.993,  27.797,  -0.362)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.001,   0.000,   0.055)  (  0.001,   0.000,   0.055)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.001,   0.002,   0.182)  (  0.001,   0.001,   0.155)  ( 0.00,  0.00,  0.50)
166:     vdw     (  7.016,   4.718,  -1.422)  (  7.016,   4.718,  -1.422)  ( 0.00,  0.00,  0.00)
166:     electro ( -4.154,  -4.786,   0.041)  ( -4.154,  -4.786,   0.041)  ( 0.00,  0.00,  0.00)
166:  6       ( -0.214,   8.915,  -1.332)  ( -0.206,   8.924,  -1.372)  ( 0.18,  0.09,  3.00)
166:     bond    (-14.177,  30.083,  -0.172)  (-14.170,  30.088,  -0.172)  ( 0.05,  0.02,  0.00)
166:     angle   (  8.442, -39.763,   0.869)  (  8.444, -39.760,   0.869)  ( 0.03,  0.01,  0.03)
166:     strbnd  ( 11.495,   9.907,  -0.096)  ( 11.495,   9.907,  -0.096)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.474,  -0.285,  -2.183)  ( -0.474,  -0.285,  -2.182)  ( 0.00,  0.00,  0.04)
166:     oop     ( -0.000,   0.000,   0.253)  (  0.000,   0.000,   0.212)  ( 0.00,  0.00,  1.05)
166:     vdw     ( -6.893,  11.755,   0.015)  ( -6.893,  11.755,   0.015)  ( 0.00,  0.00,  0.00)
166:     electro (  1.393,  -2.782,  -0.018)  (  1.393,  -2.782,  -0.018)  ( 0.00,  0.00,  0.00)
166:  7       ( -6.401,  -0.928,  -0.439)  ( -6.387,  -0.919,  -0.348)  ( 0.22,  0.80,  4.02)
166:     bond    ( 14.169,   8.086,   0.243)  ( 14.182,   8.092,   0.243)  ( 0.09,  0.08,  0.01)
166:     angle   (-42.998, -14.458,  -0.436)  (-42.996, -14.456,  -0.436)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( 11.153,   0.471,   0.082)  ( 11.151,   0.470,   0.082)  ( 0.01,  0.04,  0.00)
166:     torsion ( -0.007,  -0.000,   0.644)  ( -0.007,  -0.000,   0.645)  ( 0.00,  0.00,  0.05)
166:     oop     (  0.002,  -0.000,  -0.666)  (  0.002,   0.000,  -0.576)  ( 0.00,  0.00,  6.05)
166:     vdw     ( -7.050,  -0.891,  -0.311)  ( -7.050,  -0.891,  -0.311)  ( 0.00,  0.01,  0.00)
166:     electro ( 18.330,   5.865,   0.006)  ( 18.330,   5.865,   0.006)  ( 0.00,  0.00,  0.00)
166:  8       (-50.729,  -2.197,  -0.504)  (-50.718,  -2.195,  -0.571)  ( 0.02,  0.05,  3.40)
166:     bond    (-33.079,   0.439,  -0.219)  (-33.068,   0.439,  -0.220)  ( 0.03,  0.01,  0.00)
166:     angle   (  0.010,   0.811,   0.102)  (  0.010,   0.812,   0.102)  ( 0.00,  0.09,  0.00)
166:     strbnd  (-14.392,  -0.434,  -0.079)  (-14.392,  -0.434,  -0.079)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.001,  -0.000,  -0.092)  (  0.001,  -0.000,  -0.092)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.002,  -0.000,   0.361)  ( -0.002,  -0.000,   0.293)  ( 0.00,  0.00,  2.44)
166:     vdw     ( -5.725,  -2.617,  -0.509)  ( -5.725,  -2.617,  -0.509)  ( 0.00,  0.01,  0.00)
166:     electro (  2.458,  -0.395,  -0.067)  (  2.458,  -0.395,  -0.067)  ( 0.00,  0.00,  0.00)
166:  9       (-32.034, -12.171,  -0.517)  (-32.026, -12.162,  -0.554)  ( 0.03,  0.07,  1.89)
166:     bond    (-31.682, -14.421,  -0.455)  (-31.675, -14.415,  -0.455)  ( 0.02,  0.04,  0.00)
166:     angle   (  5.174,   7.290,   0.065)  (  5.177,   7.293,   0.066)  ( 0.05,  0.03,  0.00)
166:     strbnd  ( -6.582,  -2.350,  -0.240)  ( -6.583,  -2.351,  -0.240)  ( 0.02,  0.05,  0.00)
166:     torsion (  0.000,   0.005,  -0.080)  (  0.000,   0.005,  -0.079)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.001,  -0.003,   0.207)  ( -0.000,  -0.002,   0.169)  ( 0.00,  0.00,  0.78)
166:     vdw     (  1.438,  -3.381,  -0.019)  (  1.438,  -3.381,  -0.019)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.381,   0.689,   0.005)  ( -0.381,   0.689,   0.005)  ( 0.00,  0.00,  0.00)
166: 10       (-11.709, -23.421,  -0.019)  (-11.704, -23.415,  -0.082)  ( 0.04,  0.03,  0.12)
166:     bond    (-32.483, -35.767,  -0.526)  (-32.480, -35.763,  -0.526)  ( 0.01,  0.01,  0.01)
166:     angle   ( 26.625,   6.434,  -0.197)  ( 26.627,   6.434,  -0.197)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -1.629,   3.816,   0.065)  ( -1.629,   3.816,   0.065)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.008,  -0.005,   0.486)  (  0.008,  -0.005,   0.486)  ( 0.00,  0.00,  0.02)
166:     oop     (  0.002,  -0.005,   0.355)  (  0.001,  -0.005,   0.291)  ( 0.00,  0.00,  2.26)
166:     vdw     ( -3.198,  -3.532,  -0.228)  ( -3.198,  -3.531,  -0.228)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.035,   5.639,   0.027)  ( -1.035,   5.639,   0.027)  ( 0.00,  0.00,  0.00)
166: 11       ( 35.827,   8.607,  -0.338)  ( 35.834,   8.614,  -0.245)  ( 0.02,  0.08,  3.13)
166:     bond    ( 44.495,  11.383,   0.093)  ( 44.502,  11.390,   0.093)  ( 0.01,  0.06,  0.00)
166:     angle   ( -0.477,  -4.825,  -0.116)  ( -0.475,  -4.823,  -0.116)  ( 0.09,  0.05,  0.00)
166:     strbnd  (-12.211,   2.309,   0.059)  (-12.213,   2.308,   0.059)  ( 0.02,  0.02,  0.00)
166:     torsion ( -0.001,  -0.001,   0.053)  ( -0.001,  -0.001,   0.054)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,   0.010,  -0.488)  ( -0.000,   0.008,  -0.397)  ( 0.00,  0.00,  4.49)
166:     vdw     (  4.096,  -0.193,   0.062)  (  4.096,  -0.193,   0.062)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.073,  -0.076,  -0.001)  ( -0.073,  -0.076,  -0.001)  ( 0.00,  0.00,  0.00)
166: 12       ( 16.696,   4.159,   1.198)  ( 16.701,   4.165,   1.188)  ( 0.03,  0.16,  0.77)
166:     bond    ( 20.776,   7.319,   0.909)  ( 20.781,   7.324,   0.914)  ( 0.02,  0.06,  0.43)
166:     angle   (-13.754,  -4.812,  -0.102)  (-13.752,  -4.809,  -0.101)  ( 0.01,  0.04,  0.02)
166:     strbnd  ( 12.427,   3.908,   0.157)  ( 12.424,   3.908,   0.156)  ( 0.02,  0.02,  0.01)
166:     torsion ( -0.002,  -0.005,   0.222)  ( -0.002,  -0.005,   0.222)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.001,  -0.001,   0.057)  ( -0.000,  -0.001,   0.042)  ( 0.00,  0.00,  0.09)
166:     vdw     ( -1.953,  -4.180,  -0.065)  ( -1.953,  -4.180,  -0.065)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.796,   1.928,   0.020)  ( -0.796,   1.928,   0.020)  ( 0.00,  0.00,  0.00)
166: 13       (-13.749,  -4.822,   1.563)  (-13.744,  -4.816,   1.558)  ( 0.03,  0.14,  0.30)
166:     bond    (-22.923,  -0.335,   0.145)  (-22.919,  -0.330,   0.150)  ( 0.02,  0.16,  0.07)
166:     angle   (  7.410,   2.850,  -0.382)  (  7.411,   2.852,  -0.380)  ( 0.03,  0.07,  0.06)
166:     strbnd  (  0.558,  -0.831,  -0.003)  (  0.557,  -0.831,  -0.003)  ( 0.07,  0.03,  0.00)
166:     torsion (  0.058,  -4.145,   1.734)  (  0.058,  -4.145,   1.735)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.001,   0.000,   0.059)  (  0.001,   0.000,   0.049)  ( 0.00,  0.00,  0.06)
166:     vdw     (  6.098,  -3.967,   0.005)  (  6.098,  -3.967,   0.005)  ( 0.00,  0.00,  0.00)
166:     electro ( -4.950,   1.606,   0.003)  ( -4.950,   1.606,   0.003)  ( 0.00,  0.00,  0.00)
166: 14       (  9.601, -11.203,   4.735)  (  9.607, -11.198,   4.730)  ( 0.06,  0.04,  0.10)
166:     bond    ( 11.197, -20.692,  -0.065)  ( 11.201, -20.688,  -0.061)  ( 0.04,  0.02,  0.03)
166:     angle   ( -3.458,   7.005,  -0.620)  ( -3.456,   7.007,  -0.619)  ( 0.06,  0.03,  0.09)
166:     strbnd  (  0.022,   0.227,   0.010)  (  0.021,   0.226,   0.009)  ( 0.00,  0.02,  0.00)
166:     torsion (  2.428,   1.397,   5.331)  (  2.428,   1.397,   5.331)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,   0.001,   0.069)  ( -0.000,   0.001,   0.058)  ( 0.00,  0.00,  0.07)
166:     vdw     ( -4.679,   7.355,  -0.008)  ( -4.679,   7.355,  -0.008)  ( 0.00,  0.00,  0.00)
166:     electro (  4.091,  -6.495,   0.019)  (  4.091,  -6.495,   0.019)  ( 0.00,  0.00,  0.00)
166: 15       ( -0.465,   5.538,   0.483)  ( -0.465,   5.543,   0.432)  ( 0.04,  0.09,  2.45)
166:     bond    ( -0.036,   7.926,   0.175)  ( -0.036,   7.930,   0.175)  ( 0.00,  0.05,  0.00)
166:     angle   ( -5.802,  -0.026,  -0.014)  ( -5.802,  -0.026,  -0.014)  ( 0.01,  0.00,  0.00)
166:     strbnd  (  3.604,  -0.129,  -0.013)  (  3.604,  -0.129,  -0.013)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.001,  -0.003,   0.136)  (  0.001,  -0.003,   0.136)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.000,  -0.005,   0.223)  (  0.000,  -0.004,   0.172)  ( 0.00,  0.00,  1.13)
166:     vdw     (  1.248,  -1.217,  -0.011)  (  1.248,  -1.217,  -0.011)  ( 0.00,  0.00,  0.00)
166:     electro (  0.520,  -1.008,  -0.012)  (  0.520,  -1.008,  -0.012)  ( 0.00,  0.00,  0.00)
166: 16       (  3.795,  -2.075,  -0.170)  (  3.796,  -2.072,  -0.169)  ( 0.02,  0.17,  0.01)
166:     bond    ( -0.033,  -1.994,  -0.084)  ( -0.033,  -1.991,  -0.084)  ( 0.00,  0.17,  0.00)
166:     angle   (  5.569,  -0.090,  -0.056)  (  5.570,  -0.090,  -0.056)  ( 0.01,  0.00,  0.00)
166:     strbnd  (  2.049,   1.116,   0.067)  (  2.049,   1.116,   0.067)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.000,   0.000,  -0.009)  (  0.000,   0.000,  -0.009)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.791,  -1.108,  -0.087)  ( -3.791,  -1.108,  -0.087)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 17       (  3.734,   1.697,   3.317)  (  3.735,   1.697,   3.320)  ( 0.03,  0.05,  0.08)
166:     bond    ( -0.653,   0.424,   1.150)  ( -0.653,   0.424,   1.152)  ( 0.05,  0.01,  0.21)
166:     angle   (  4.116,   2.173,   1.530)  (  4.116,   2.174,   1.530)  ( 0.01,  0.02,  0.01)
166:     strbnd  (  2.185,   0.599,  -0.219)  (  2.185,   0.599,  -0.219)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.003,  -0.008,   0.004)  (  0.003,  -0.008,   0.004)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.916,  -1.492,   0.852)  ( -1.916,  -1.492,   0.852)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 18       (  3.357,   1.877,  -3.735)  (  3.358,   1.877,  -3.733)  ( 0.04,  0.05,  0.07)
166:     bond    ( -0.951,   0.766,  -1.640)  ( -0.950,   0.766,  -1.638)  ( 0.07,  0.04,  0.14)
166:     angle   (  4.217,   2.283,  -1.378)  (  4.217,   2.284,  -1.377)  ( 0.01,  0.02,  0.01)
166:     strbnd  (  2.195,   0.574,   0.319)  (  2.195,   0.574,   0.319)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.003,   0.007,   0.005)  ( -0.003,   0.007,   0.005)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.102,  -1.754,  -1.042)  ( -2.101,  -1.754,  -1.042)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 19       ( -0.949,   1.850,  -2.966)  ( -0.948,   1.851,  -2.963)  ( 0.08,  0.03,  0.10)
166:     bond    (  0.687,   0.547,  -1.969)  (  0.688,   0.547,  -1.967)  ( 0.02,  0.01,  0.15)
166:     angle   ( -2.117,   0.190,  -0.687)  ( -2.116,   0.190,  -0.687)  ( 0.02,  0.01,  0.01)
166:     strbnd  ( -1.351,  -0.031,   0.069)  ( -1.351,  -0.031,   0.069)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.009,   1.445,   0.399)  ( -0.009,   1.445,   0.399)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.840,  -0.300,  -0.777)  (  1.840,  -0.300,  -0.777)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 20       (  3.215,  -1.417,   1.360)  (  3.216,  -1.414,   1.361)  ( 0.03,  0.21,  0.04)
166:     bond    (  0.757,  -1.956,   0.504)  (  0.757,  -1.953,   0.504)  ( 0.03,  0.15,  0.01)
166:     angle   ( -2.944,  -1.085,   0.217)  ( -2.943,  -1.085,   0.218)  ( 0.02,  0.01,  0.01)
166:     strbnd  ( -1.362,   0.055,  -0.006)  ( -1.362,   0.055,  -0.006)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.012,  -0.046)  ( -0.000,  -0.012,  -0.046)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  6.765,   1.580,   0.691)  (  6.765,   1.580,   0.691)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 21       (  1.306,   2.523,   1.573)  (  1.307,   2.525,   1.575)  ( 0.07,  0.07,  0.12)
166:     bond    (  0.773,   1.536,   1.536)  (  0.773,   1.538,   1.538)  ( 0.03,  0.10,  0.10)
166:     angle   ( -2.380,   0.642,   0.554)  ( -2.380,   0.642,   0.554)  ( 0.02,  0.02,  0.01)
166:     strbnd  ( -1.349,  -0.045,  -0.017)  ( -1.349,  -0.045,  -0.017)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.038,   1.895,  -1.876)  ( -0.038,   1.895,  -1.876)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.301,  -1.506,   1.375)  (  4.301,  -1.506,   1.375)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 22       ( -3.084,   0.782,   1.224)  ( -3.081,   0.783,   1.225)  ( 0.08,  0.05,  0.13)
166:     bond    ( -1.870,  -0.110,   1.417)  ( -1.868,  -0.110,   1.418)  ( 0.12,  0.00,  0.09)
166:     angle   (  0.520,  -2.593,   0.484)  (  0.520,  -2.593,   0.484)  ( 0.01,  0.02,  0.01)
166:     strbnd  (  0.654,  -1.205,   0.011)  (  0.654,  -1.205,   0.011)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.641,  -0.927,  -2.234)  ( -1.641,  -0.927,  -2.234)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.746,   5.617,   1.547)  ( -0.746,   5.617,   1.547)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 23       ( -2.117,   4.656,   0.658)  ( -2.116,   4.658,   0.658)  ( 0.09,  0.05,  0.05)
166:     bond    (  1.483,   1.776,   0.765)  (  1.485,   1.778,   0.766)  ( 0.09,  0.10,  0.03)
166:     angle   (  2.624,  -2.307,   0.268)  (  2.625,  -2.307,   0.268)  ( 0.01,  0.01,  0.01)
166:     strbnd  (  0.634,  -1.241,  -0.006)  (  0.634,  -1.242,  -0.006)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.579,   0.295,  -1.806)  (  0.579,   0.295,  -1.806)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -7.437,   6.134,   1.436)  ( -7.437,   6.134,   1.436)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 24       ( -0.478,  -1.559,  -3.030)  ( -0.478,  -1.559,  -3.027)  ( 0.03,  0.04,  0.10)
166:     bond    ( -0.615,   0.404,  -1.895)  ( -0.615,   0.404,  -1.892)  ( 0.02,  0.01,  0.16)
166:     angle   (  0.873,  -1.806,  -0.669)  (  0.873,  -1.806,  -0.669)  ( 0.04,  0.03,  0.01)
166:     strbnd  (  0.665,  -1.206,   0.041)  (  0.665,  -1.206,   0.041)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.889,  -0.485,   0.185)  ( -0.890,  -0.485,   0.185)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.512,   1.534,  -0.692)  ( -0.512,   1.534,  -0.692)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: ok 20 # gradients 
166: ok 21 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
166:  1       (  0.967,   0.259,  -0.197)  (  0.972,   0.264,  -0.191)  ( 0.49,  0.14,  0.12)
166:     bond    (  0.905,   2.623,   8.120)  (  0.909,   2.627,   8.124)  ( 0.37,  0.15,  0.05)
166:     angle   (  7.385,   0.772,  -9.892)  (  7.388,   0.774,  -9.889)  ( 0.03,  0.16,  0.02)
166:     strbnd  (  0.181,   1.490,  -0.840)  (  0.180,   1.489,  -0.841)  ( 0.02,  0.06,  0.05)
166:     torsion ( -3.658,  -1.057,   2.616)  ( -3.658,  -1.057,   2.616)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.221,  -3.068,  -0.045)  ( -3.221,  -3.068,  -0.045)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.625,  -0.501,  -0.156)  ( -0.625,  -0.501,  -0.156)  ( 0.00,  0.00,  0.00)
166:  2       (  0.736,   0.034,   0.004)  (  0.742,   0.039,   0.010)  ( 0.41,  0.02,  0.00)
166:     bond    ( 11.123,  -1.351,  -2.048)  ( 11.127,  -1.347,  -2.044)  ( 0.04,  0.29,  0.21)
166:     angle   ( -8.045,   1.278,   9.737)  ( -8.043,   1.280,   9.739)  ( 0.03,  0.16,  0.02)
166:     strbnd  (  0.965,  -2.280,   1.631)  (  0.965,  -2.281,   1.630)  ( 0.07,  0.04,  0.02)
166:     torsion (  4.294,   0.736,  -3.479)  (  4.294,   0.736,  -3.478)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -7.601,   1.652,  -5.836)  ( -7.601,   1.652,  -5.836)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  3       (  0.562,   0.076,  -0.092)  (  0.566,   0.081,  -0.087)  ( 0.27,  0.04,  0.05)
166:     bond    (  6.097,  -9.677,  17.390)  (  6.101,  -9.673,  17.394)  ( 0.06,  0.04,  0.02)
166:     angle   ( -1.378,   4.252, -13.110)  ( -1.376,   4.254, -13.108)  ( 0.15,  0.05,  0.02)
166:     strbnd  (  0.257,   0.181,  -0.552)  (  0.256,   0.180,  -0.552)  ( 0.03,  0.01,  0.03)
166:     torsion ( -0.355,   2.764,   0.802)  ( -0.355,   2.764,   0.802)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -4.059,   2.557,  -4.623)  ( -4.059,   2.557,  -4.623)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  4       (  1.701,   0.453,   0.308)  (  1.706,   0.472,   0.382)  ( 0.30,  0.89,  2.27)
166:     bond    (  8.642,  10.885,  -8.146)  (  8.646,  10.889,  -8.142)  ( 0.04,  0.04,  0.05)
166:     angle   ( -7.598,  -8.113,  12.883)  ( -7.596,  -8.111,  12.884)  ( 0.03,  0.02,  0.01)
166:     strbnd  ( -1.384,   1.903,  -1.050)  ( -1.385,   1.903,  -1.050)  ( 0.08,  0.03,  0.05)
166:     torsion (  3.685,   2.177,  -4.847)  (  3.685,   2.177,  -4.846)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.002,  -0.088,  -0.446)  ( -0.002,  -0.075,  -0.377)  ( 0.00,  0.12,  3.03)
166:     vdw     ( -1.895,  -6.707,   1.430)  ( -1.894,  -6.706,   1.430)  ( 0.00,  0.00,  0.00)
166:     electro (  0.253,   0.395,   0.484)  (  0.253,   0.395,   0.484)  ( 0.00,  0.00,  0.00)
166:  5       ( -7.881,   4.561,  -0.394)  ( -7.870,   4.527,  -0.600)  ( 0.14,  0.76,  8.12)
166:     bond    (-12.705,  14.137,  -1.636)  (-12.697,  14.141,  -1.636)  ( 0.06,  0.03,  0.02)
166:     angle   (  1.253,   3.126,  -9.477)  (  1.254,   3.128,  -9.476)  ( 0.12,  0.05,  0.01)
166:     strbnd  (  1.419,  -3.117,   0.027)  (  1.419,  -3.117,   0.027)  ( 0.04,  0.02,  0.00)
166:     torsion ( -0.255,   1.581,   7.797)  ( -0.255,   1.581,   7.798)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.011,   0.244,   1.272)  ( -0.008,   0.203,   1.063)  ( 0.00,  0.98, 16.38)
166:     vdw     (  0.999, -11.742,   1.783)  (  0.999, -11.742,   1.783)  ( 0.02,  0.00,  0.00)
166:     electro (  1.419,   0.332,  -0.159)  (  1.419,   0.332,  -0.159)  ( 0.00,  0.00,  0.00)
166:  6       (  8.807,  -4.640,   1.194)  (  8.816,  -4.626,   1.216)  ( 0.11,  0.29,  1.77)
166:     bond    (  3.884,   4.853,  -0.204)  (  3.892,   4.858,  -0.204)  ( 0.19,  0.11,  0.01)
166:     angle   (  1.621,  -0.921,   2.154)  (  1.622,  -0.919,   2.155)  ( 0.08,  0.16,  0.02)
166:     strbnd  ( -1.690,   1.656,  -0.349)  ( -1.691,   1.655,  -0.349)  ( 0.04,  0.03,  0.00)
166:     torsion ( -0.062,  -0.722,  -2.668)  ( -0.062,  -0.722,  -2.667)  ( 0.00,  0.00,  0.04)
166:     oop     ( -0.011,  -0.030,  -0.074)  ( -0.010,  -0.023,  -0.055)  ( 0.00,  0.02,  0.14)
166:     vdw     (  4.938,  -9.590,   2.718)  (  4.938,  -9.589,   2.718)  ( 0.00,  0.00,  0.00)
166:     electro (  0.127,   0.114,  -0.383)  (  0.127,   0.114,  -0.383)  ( 0.00,  0.00,  0.00)
166:  7       ( -0.810,   0.444,  -0.283)  ( -0.806,   0.452,  -0.254)  ( 0.32,  0.37,  0.83)
166:     bond    (-11.282,  11.208,   0.541)  (-11.278,  11.212,   0.545)  ( 0.04,  0.03,  0.24)
166:     angle   (  9.286,  -4.053,  -3.402)  (  9.288,  -4.051,  -3.400)  ( 0.02,  0.05,  0.04)
166:     strbnd  (  0.811,  -0.072,  -0.853)  (  0.810,  -0.073,  -0.854)  ( 0.06,  0.01,  0.03)
166:     torsion ( -1.331,  -0.869,   0.696)  ( -1.331,  -0.869,   0.696)  ( 0.00,  0.00,  0.02)
166:     oop     (  0.009,  -0.020,  -0.131)  (  0.007,  -0.017,  -0.108)  ( 0.00,  0.01,  0.31)
166:     vdw     (  0.881,  -5.592,   2.703)  (  0.881,  -5.592,   2.703)  ( 0.01,  0.00,  0.00)
166:     electro (  0.815,  -0.158,   0.163)  (  0.815,  -0.158,   0.163)  ( 0.00,  0.00,  0.00)
166:  8       (  0.736,   0.178,   0.067)  (  0.740,   0.183,   0.072)  ( 0.35,  0.09,  0.04)
166:     bond    ( -1.261,  -2.729, -19.147)  ( -1.258,  -2.725, -19.143)  ( 0.27,  0.13,  0.02)
166:     angle   ( -9.942,   7.503,  26.405)  ( -9.940,   7.505,  26.407)  ( 0.02,  0.03,  0.01)
166:     strbnd  (  4.138,   2.113,   0.872)  (  4.137,   2.112,   0.871)  ( 0.02,  0.04,  0.03)
166:     torsion (  2.267,  -2.809,  -7.166)  (  2.267,  -2.809,  -7.166)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  5.533,  -3.900,  -0.897)  (  5.533,  -3.899,  -0.897)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  9       (  0.364,   0.232,  -0.008)  (  0.369,   0.237,  -0.002)  ( 0.20,  0.11,  0.00)
166:     bond    ( -6.983,  11.163,   5.799)  ( -6.980,  11.166,   5.803)  ( 0.06,  0.03,  0.07)
166:     angle   (  6.589,   0.564, -10.864)  (  6.592,   0.566, -10.862)  ( 0.04,  0.12,  0.02)
166:     strbnd  ( -4.331,  -9.696,   0.323)  ( -4.332,  -9.697,   0.323)  ( 0.02,  0.01,  0.01)
166:     torsion (  0.192,   1.536,   1.287)  (  0.192,   1.536,   1.287)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.897,  -3.334,   3.446)  (  4.897,  -3.334,   3.447)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 10       (  0.279,   0.320,   0.215)  (  0.284,   0.326,   0.221)  ( 0.13,  0.18,  0.13)
166:     bond    (  3.926,  16.947,  -8.842)  (  3.929,  16.951,  -8.838)  ( 0.09,  0.02,  0.05)
166:     angle   ( -6.642,  -8.727,   8.491)  ( -6.640,  -8.725,   8.493)  ( 0.03,  0.02,  0.02)
166:     strbnd  ( -1.913,  -4.925,   2.830)  ( -1.914,  -4.925,   2.830)  ( 0.05,  0.01,  0.02)
166:     torsion ( -1.013,  -0.173,  -1.195)  ( -1.013,  -0.173,  -1.195)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  5.922,  -2.802,  -1.070)  (  5.922,  -2.802,  -1.070)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 11       (  0.045,   0.535,   0.496)  (  0.051,   0.539,   0.502)  ( 0.03,  0.24,  0.29)
166:     bond    (-22.008,  -2.471,  -8.891)  (-22.004,  -2.468,  -8.886)  ( 0.02,  0.14,  0.05)
166:     angle   ( 15.128,   5.024,   5.636)  ( 15.130,   5.026,   5.638)  ( 0.01,  0.04,  0.03)
166:     strbnd  (  6.334,   1.549,   3.089)  (  6.333,   1.548,   3.089)  ( 0.01,  0.06,  0.02)
166:     torsion ( -1.616,   1.448,   1.166)  ( -1.616,   1.448,   1.166)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.209,  -5.015,  -0.504)  (  2.209,  -5.015,  -0.504)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 12       (  0.018,  -0.028,  -0.133)  (  0.022,  -0.023,  -0.128)  ( 0.01,  0.01,  0.07)
166:     bond    (-12.958,  14.537,  15.529)  (-12.956,  14.540,  15.533)  ( 0.02,  0.02,  0.03)
166:     angle   (  5.486, -21.711, -16.528)  (  5.488, -21.709, -16.526)  ( 0.04,  0.01,  0.01)
166:     strbnd  (  4.156,   8.341,  -1.058)  (  4.155,   8.340,  -1.059)  ( 0.02,  0.01,  0.04)
166:     torsion (  0.521,  -0.105,  -0.116)  (  0.521,  -0.105,  -0.116)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.814,  -1.090,   2.040)  (  2.814,  -1.090,   2.040)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 13       ( -0.345,  -0.098,  -0.425)  ( -0.340,  -0.093,  -0.420)  ( 0.16,  0.05,  0.21)
166:     bond    ( 19.196, -25.927,  -5.472)  ( 19.199, -25.923,  -5.468)  ( 0.02,  0.01,  0.07)
166:     angle   (-20.973,  31.110,   6.384)  (-20.971,  31.112,   6.386)  ( 0.01,  0.01,  0.03)
166:     strbnd  ( -1.801,  -4.659,   1.967)  ( -1.802,  -4.660,   1.966)  ( 0.04,  0.02,  0.03)
166:     torsion (  2.190,  -1.303,  -1.287)  (  2.190,  -1.303,  -1.287)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.043,   0.681,  -2.017)  (  1.043,   0.681,  -2.017)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 14       ( -0.307,  -0.668,  -1.189)  ( -0.302,  -0.663,  -1.183)  ( 0.14,  0.32,  0.49)
166:     bond    (-22.467,  22.959, -11.970)  (-22.463,  22.963, -11.965)  ( 0.01,  0.02,  0.04)
166:     angle   ( 20.677, -26.111,   8.252)  ( 20.679, -26.109,   8.254)  ( 0.01,  0.01,  0.02)
166:     strbnd  (  1.372,  -1.663,  -0.432)  (  1.371,  -1.664,  -0.432)  ( 0.07,  0.05,  0.02)
166:     torsion ( -0.738,   1.381,   1.027)  ( -0.738,   1.381,   1.027)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.849,   2.766,   1.934)  (  0.849,   2.766,   1.934)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 15       ( -0.779,  -0.703,  -0.742)  ( -0.774,  -0.698,  -0.735)  ( 0.36,  0.34,  0.45)
166:     bond    ( 11.046, -27.491,   7.813)  ( 11.049, -27.488,   7.817)  ( 0.03,  0.01,  0.06)
166:     angle   (-13.695,  29.364,  -9.854)  (-13.693,  29.366,  -9.852)  ( 0.01,  0.01,  0.02)
166:     strbnd  ( -1.160,   1.909,  -1.027)  ( -1.161,   1.909,  -1.027)  ( 0.08,  0.04,  0.03)
166:     torsion (  0.502,  -0.879,  -1.143)  (  0.502,  -0.879,  -1.143)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.527,  -3.606,   3.470)  (  2.528,  -3.606,   3.470)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 16       ( -1.065,  -0.614,   1.036)  ( -1.061,  -0.609,   1.042)  ( 0.45,  0.30,  0.57)
166:     bond    ( -9.763,  20.766,  -9.836)  ( -9.759,  20.769,  -9.832)  ( 0.04,  0.02,  0.05)
166:     angle   (  9.857, -21.778,   9.882)  (  9.859, -21.776,   9.884)  ( 0.02,  0.01,  0.02)
166:     strbnd  (  0.357,   0.332,   0.998)  (  0.356,   0.331,   0.998)  ( 0.03,  0.03,  0.03)
166:     torsion ( -0.978,   0.700,   0.353)  ( -0.978,   0.700,   0.353)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.539,  -0.634,  -0.360)  ( -0.539,  -0.634,  -0.360)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 17       ( -1.087,  -1.069,   0.177)  ( -1.083,  -1.064,   0.183)  ( 0.43,  0.46,  0.10)
166:     bond    ( -1.901, -13.454,  13.464)  ( -1.897, -13.450,  13.468)  ( 0.18,  0.03,  0.03)
166:     angle   (  1.193,   9.826, -16.679)  (  1.195,   9.828, -16.677)  ( 0.18,  0.02,  0.01)
166:     strbnd  ( -3.337,   0.795,   1.409)  ( -3.338,   0.794,   1.408)  ( 0.03,  0.08,  0.02)
166:     torsion (  0.974,   1.005,   1.909)  (  0.974,   1.005,   1.909)  ( 0.00,  0.01,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.983,   0.759,   0.074)  (  1.983,   0.759,   0.074)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 18       ( -0.972,  -1.131,   0.537)  ( -0.966,  -1.126,   0.543)  ( 0.57,  0.45,  0.31)
166:     bond    (  8.970,  -7.168,  -3.472)  (  8.974,  -7.164,  -3.467)  ( 0.05,  0.06,  0.13)
166:     angle   ( -7.660,   2.779,   4.648)  ( -7.658,   2.781,   4.650)  ( 0.02,  0.07,  0.04)
166:     strbnd  ( -0.534,  -1.586,   1.106)  ( -0.535,  -1.587,   1.106)  ( 0.03,  0.05,  0.04)
166:     torsion ( -0.534,  -0.161,  -0.695)  ( -0.534,  -0.161,  -0.695)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.214,   5.005,  -1.050)  ( -1.214,   5.005,  -1.050)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 19       ( -0.892,  -1.390,  -0.413)  ( -0.887,  -1.384,  -0.407)  ( 0.44,  0.43,  0.23)
166:     bond    (-14.431,   0.239,  -5.354)  (-14.427,   0.243,  -5.350)  ( 0.03,  0.11,  0.08)
166:     angle   (  5.190,  -0.465,   6.381)  (  5.192,  -0.463,   6.382)  ( 0.04,  0.09,  0.03)
166:     strbnd  (  2.347,  -0.745,   1.442)  (  2.346,  -0.746,   1.441)  ( 0.04,  0.03,  0.03)
166:     torsion (  0.871,  -0.786,  -1.907)  (  0.871,  -0.786,  -1.907)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  5.131,   0.367,  -0.974)  (  5.131,   0.367,  -0.974)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 20       ( -1.255,   0.127,  -0.110)  ( -1.249,   0.133,  -0.106)  ( 0.48,  0.08,  0.05)
166:     bond    (  4.252,  -7.565,  15.329)  (  4.256,  -7.560,  15.333)  ( 0.11,  0.06,  0.03)
166:     angle   (  1.408,   3.130,  -7.552)  (  1.409,   3.132,  -7.550)  ( 0.13,  0.06,  0.03)
166:     strbnd  (  0.392,   0.525,  -4.232)  (  0.392,   0.524,  -4.233)  ( 0.02,  0.03,  0.02)
166:     torsion ( -2.747,   1.008,   0.725)  ( -2.747,   1.008,   0.725)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -4.560,   3.029,  -4.380)  ( -4.560,   3.029,  -4.380)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 21       (  0.264,   0.125,  -0.017)  (  0.269,   0.129,  -0.012)  ( 0.13,  0.06,  0.01)
166:     bond    ( 20.008,  -3.510,  -2.218)  ( 20.012,  -3.507,  -2.215)  ( 0.02,  0.09,  0.15)
166:     angle   (-15.231,  -7.030,   0.649)  (-15.229,  -7.028,   0.651)  ( 0.01,  0.03,  0.15)
166:     strbnd  ( -8.351,  11.149,   4.002)  ( -8.352,  11.148,   4.001)  ( 0.01,  0.01,  0.02)
166:     torsion (  1.984,  -2.010,  -1.712)  (  1.984,  -2.010,  -1.712)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.854,   1.526,  -0.737)  (  1.854,   1.526,  -0.737)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 22       (  0.427,   0.342,  -0.042)  (  0.433,   0.348,  -0.037)  ( 0.25,  0.20,  0.02)
166:     bond    (  4.959,  -8.811, -19.046)  (  4.964,  -8.806, -19.042)  ( 0.09,  0.05,  0.02)
166:     angle   ( -3.781,   3.630,  13.839)  ( -3.779,   3.632,  13.841)  ( 0.05,  0.05,  0.01)
166:     strbnd  (  1.990,  -1.284,  -2.382)  (  1.989,  -1.285,  -2.383)  ( 0.02,  0.04,  0.04)
166:     torsion ( -0.424,  -0.578,   0.131)  ( -0.424,  -0.578,   0.131)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.317,   7.386,   7.417)  ( -2.317,   7.386,   7.417)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 23       (  0.262,   0.237,   0.013)  (  0.267,   0.243,   0.019)  ( 0.12,  0.14,  0.01)
166:     bond    ( -9.101, -14.027,  14.486)  ( -9.097, -14.023,  14.490)  ( 0.04,  0.03,  0.03)
166:     angle   ( 10.251,   5.425, -14.704)  ( 10.253,   5.427, -14.702)  ( 0.02,  0.04,  0.01)
166:     strbnd  (  4.541,  -0.227,   0.888)  (  4.540,  -0.227,   0.888)  ( 0.02,  0.01,  0.06)
166:     torsion ( -1.610,   3.720,   3.452)  ( -1.610,   3.720,   3.452)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.819,   5.346,  -4.109)  ( -3.819,   5.346,  -4.109)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 24       (  0.357,   0.362,   0.364)  (  0.362,   0.367,   0.370)  ( 0.18,  0.17,  0.22)
166:     bond    ( 21.264, -13.824,  -2.826)  ( 21.268, -13.820,  -2.821)  ( 0.02,  0.03,  0.16)
166:     angle   (-16.268,  12.918,  11.920)  (-16.266,  12.920,  11.922)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( -2.042,  -2.702,   2.306)  ( -2.043,  -2.703,   2.305)  ( 0.04,  0.04,  0.01)
166:     torsion (  0.242,  -0.309,  -3.665)  (  0.242,  -0.309,  -3.665)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.840,   4.280,  -7.371)  ( -2.839,   4.280,  -7.371)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 25       (  0.298,   0.643,   0.076)  (  0.302,   0.648,   0.081)  ( 0.13,  0.32,  0.04)
166:     bond    (-17.007,  -1.605,  19.177)  (-17.004,  -1.602,  19.181)  ( 0.02,  0.21,  0.02)
166:     angle   ( 20.289, -11.578, -20.050)  ( 20.291, -11.576, -20.048)  ( 0.01,  0.02,  0.01)
166:     strbnd  (  0.219,   4.268,  -0.478)  (  0.218,   4.267,  -0.478)  ( 0.02,  0.02,  0.02)
166:     torsion ( -1.834,   2.984,   4.550)  ( -1.834,   2.984,   4.550)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.369,   6.574,  -3.124)  ( -1.369,   6.574,  -3.124)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 26       (  1.237,  -0.464,   0.129)  (  1.240,  -0.447,   0.209)  ( 0.28,  0.80,  1.04)
166:     bond    ( 15.847,  -1.098,  -7.962)  ( 15.850,  -1.095,  -7.959)  ( 0.02,  0.29,  0.04)
166:     angle   (-11.285,  -1.723,  11.202)  (-11.283,  -1.722,  11.203)  ( 0.02,  0.12,  0.02)
166:     strbnd  ( -2.536,   2.403,   1.664)  ( -2.537,   2.402,   1.663)  ( 0.03,  0.03,  0.04)
166:     torsion (  1.195,  -2.901,  -3.945)  (  1.195,  -2.901,  -3.945)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.005,  -0.076,  -0.452)  (  0.004,  -0.063,  -0.376)  ( 0.00,  0.10,  3.40)
166:     vdw     ( -1.368,   2.242,  -0.525)  ( -1.367,   2.242,  -0.525)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.621,   0.690,   0.148)  ( -0.621,   0.690,   0.148)  ( 0.00,  0.00,  0.00)
166: 27       (  0.236,   0.612,   0.037)  (  0.242,   0.618,   0.042)  ( 0.14,  0.35,  0.02)
166:     bond    (  5.055, -10.233, -17.302)  (  5.059, -10.229, -17.298)  ( 0.09,  0.04,  0.02)
166:     angle   ( -3.183,   7.842,  10.800)  ( -3.181,   7.843,  10.802)  ( 0.06,  0.02,  0.02)
166:     strbnd  (  1.203,   0.907,  -0.607)  (  1.203,   0.907,  -0.608)  ( 0.04,  0.05,  0.06)
166:     torsion ( -0.959,  -0.405,  -0.114)  ( -0.959,  -0.405,  -0.114)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.881,   2.501,   7.260)  ( -1.880,   2.501,   7.260)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 28       (  0.896,  -0.479,  -0.925)  (  0.900,  -0.477,  -0.920)  ( 0.38,  0.08,  0.45)
166:     bond    (  7.820,   3.623,  -3.208)  (  7.824,   3.624,  -3.204)  ( 0.05,  0.03,  0.12)
166:     angle   ( -2.167,   1.247,   4.426)  ( -2.166,   1.247,   4.428)  ( 0.01,  0.03,  0.03)
166:     strbnd  (  0.310,   0.219,   0.140)  (  0.310,   0.219,   0.140)  ( 0.00,  0.00,  0.01)
166:     torsion (  0.871,  -2.454,  -0.635)  (  0.871,  -2.454,  -0.635)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.614,  -2.920,  -1.379)  ( -3.614,  -2.920,  -1.379)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.324,  -0.193,  -0.270)  ( -2.323,  -0.193,  -0.270)  ( 0.00,  0.00,  0.00)
166: 29       (  0.408,   0.492,   0.031)  (  0.409,   0.493,   0.034)  ( 0.03,  0.06,  0.01)
166:     bond    ( -1.093,   2.730,   5.745)  ( -1.093,   2.731,   5.748)  ( 0.01,  0.02,  0.04)
166:     angle   ( -0.447,  -1.804,   0.772)  ( -0.446,  -1.803,   0.772)  ( 0.03,  0.03,  0.01)
166:     strbnd  ( -0.651,  -1.825,  -2.101)  ( -0.651,  -1.825,  -2.101)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.322,  -0.173,   0.334)  (  1.322,  -0.173,   0.334)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.277,   1.563,  -4.719)  (  1.277,   1.563,  -4.719)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 30       (  0.503,   0.033,   0.106)  (  0.504,   0.034,   0.109)  ( 0.04,  0.00,  0.03)
166:     bond    (  0.388,  -0.566,  -1.877)  (  0.388,  -0.566,  -1.874)  ( 0.01,  0.02,  0.16)
166:     angle   ( -1.222,   1.435,  -0.686)  ( -1.222,   1.436,  -0.686)  ( 0.05,  0.04,  0.00)
166:     strbnd  ( -0.562,   0.515,   1.009)  ( -0.562,   0.515,   1.009)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.037,   0.246,  -0.289)  ( -1.037,   0.246,  -0.289)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.936,  -1.598,   1.950)  (  2.936,  -1.598,   1.950)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 31       (  0.438,   0.182,   0.134)  (  0.439,   0.183,   0.137)  ( 0.04,  0.02,  0.04)
166:     bond    ( -1.114,   1.979,   6.032)  ( -1.114,   1.980,   6.035)  ( 0.01,  0.02,  0.05)
166:     angle   ( -0.690,   1.900,  -0.751)  ( -0.689,   1.901,  -0.751)  ( 0.04,  0.03,  0.01)
166:     strbnd  (  0.022,  -0.078,  -2.039)  (  0.022,  -0.078,  -2.039)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.783,   1.067,  -0.206)  (  0.783,   1.067,  -0.206)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.437,  -4.688,  -2.903)  (  1.437,  -4.687,  -2.903)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 32       (  1.763,   0.235,  -0.010)  (  1.764,   0.236,  -0.007)  ( 0.05,  0.03,  0.00)
166:     bond    ( -0.495,   1.091,   2.241)  ( -0.495,   1.092,   2.244)  ( 0.01,  0.06,  0.12)
166:     angle   ( -0.145,   0.135,  -0.098)  ( -0.144,   0.135,  -0.098)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -0.003,  -0.325,  -0.202)  ( -0.003,  -0.325,  -0.202)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.861,   0.535,   0.150)  (  1.861,   0.535,   0.150)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.545,  -1.202,  -2.101)  (  0.545,  -1.202,  -2.101)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 33       (  0.648,   0.036,  -0.155)  (  0.650,   0.037,  -0.153)  ( 0.11,  0.00,  0.03)
166:     bond    (  2.130,  -0.511,   2.443)  (  2.132,  -0.511,   2.445)  ( 0.07,  0.00,  0.08)
166:     angle   (  2.580,  -0.905,  -2.439)  (  2.580,  -0.904,  -2.439)  ( 0.01,  0.05,  0.01)
166:     strbnd  ( -0.613,   0.221,  -1.607)  ( -0.613,   0.221,  -1.607)  ( 0.00,  0.00,  0.00)
166:     torsion ( -2.226,   0.124,   1.967)  ( -2.226,   0.125,   1.967)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.223,   1.107,  -0.518)  ( -1.223,   1.107,  -0.518)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 34       (  0.623,  -0.025,  -0.099)  (  0.624,  -0.024,  -0.096)  ( 0.07,  0.00,  0.02)
166:     bond    (  1.205,  -1.083,  -2.206)  (  1.205,  -1.082,  -2.204)  ( 0.05,  0.05,  0.10)
166:     angle   (  4.429,  -0.679,   2.755)  (  4.430,  -0.679,   2.755)  ( 0.01,  0.03,  0.01)
166:     strbnd  ( -0.025,   0.560,   1.229)  ( -0.025,   0.560,   1.229)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.189,  -0.747,  -0.284)  ( -1.189,  -0.747,  -0.284)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.797,   1.923,  -1.593)  ( -3.797,   1.923,  -1.593)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 35       (  0.727,   0.236,   0.113)  (  0.728,   0.237,   0.115)  ( 0.07,  0.02,  0.03)
166:     bond    ( -1.135,   1.111,   3.160)  ( -1.134,   1.111,   3.163)  ( 0.03,  0.03,  0.08)
166:     angle   (  2.191,   0.137,   0.737)  (  2.191,   0.138,   0.737)  ( 0.03,  0.01,  0.01)
166:     strbnd  (  1.028,  -1.182,  -0.643)  (  1.028,  -1.182,  -0.643)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.059,  -1.190,   0.439)  (  0.059,  -1.190,   0.439)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.416,   1.359,  -3.581)  ( -1.416,   1.359,  -3.581)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 36       (  0.488,   0.270,  -0.116)  (  0.489,   0.274,  -0.116)  ( 0.04,  0.09,  0.01)
166:     bond    (  0.456,  -2.299,   0.220)  (  0.456,  -2.296,   0.220)  ( 0.01,  0.14,  0.00)
166:     angle   (  2.467,   0.624,   1.393)  (  2.468,   0.624,   1.393)  ( 0.02,  0.00,  0.04)
166:     strbnd  (  0.024,   1.326,   0.945)  (  0.024,   1.326,   0.945)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.177,  -0.003,  -0.400)  (  0.177,  -0.003,  -0.399)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.636,   0.622,  -2.274)  ( -2.636,   0.622,  -2.274)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 37       (  0.151,   1.287,   0.431)  (  0.152,   1.288,   0.434)  ( 0.02,  0.05,  0.13)
166:     bond    (  1.073,  -0.388,  -2.975)  (  1.074,  -0.388,  -2.972)  ( 0.04,  0.00,  0.10)
166:     angle   ( -0.794,   2.840,  -0.658)  ( -0.793,   2.841,  -0.658)  ( 0.04,  0.02,  0.00)
166:     strbnd  ( -0.284,   0.981,   1.653)  ( -0.284,   0.981,   1.653)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.057,  -0.640,  -0.298)  ( -1.057,  -0.640,  -0.298)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.212,  -1.506,   2.709)  (  1.212,  -1.506,   2.709)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 38       (  0.339,   0.476,   1.257)  (  0.340,   0.479,   1.258)  ( 0.03,  0.15,  0.04)
166:     bond    ( -0.805,   4.071,   0.318)  ( -0.805,   4.074,   0.318)  ( 0.01,  0.08,  0.00)
166:     angle   (  5.353,   1.181,  -1.582)  (  5.354,   1.181,  -1.581)  ( 0.01,  0.00,  0.03)
166:     strbnd  (  0.930,  -1.391,  -0.658)  (  0.930,  -1.391,  -0.658)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.899,  -0.571,   2.506)  ( -1.899,  -0.571,   2.506)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.240,  -2.814,   0.673)  ( -3.240,  -2.814,   0.673)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 39       (  0.197,   1.934,  -0.224)  (  0.197,   1.941,  -0.201)  ( 0.01,  0.38,  0.52)
166:     bond    ( -0.322,   6.022,  -1.065)  ( -0.322,   6.026,  -1.065)  ( 0.00,  0.06,  0.01)
166:     angle   ( -3.546,  -0.243,  -0.303)  ( -3.546,  -0.243,  -0.303)  ( 0.02,  0.00,  0.00)
166:     strbnd  (  0.529,  -2.091,   0.417)  (  0.529,  -2.091,   0.417)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.017,   0.060,   0.336)  (  0.017,   0.060,   0.337)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.010,  -0.029,  -0.170)  (  0.009,  -0.026,  -0.147)  ( 0.00,  0.01,  0.39)
166:     vdw     (  2.635,  -1.088,   0.220)  (  2.635,  -1.088,   0.220)  ( 0.00,  0.00,  0.00)
166:     electro (  0.875,  -0.697,   0.340)  (  0.875,  -0.697,   0.340)  ( 0.00,  0.00,  0.00)
166: 40       (  0.840,  -0.019,  -0.312)  (  0.841,  -0.018,  -0.309)  ( 0.11,  0.00,  0.07)
166:     bond    ( -1.264,   0.699,  -1.919)  ( -1.263,   0.699,  -1.917)  ( 0.07,  0.02,  0.11)
166:     angle   (  0.476,   0.291,  -0.208)  (  0.477,   0.292,  -0.208)  ( 0.02,  0.02,  0.00)
166:     strbnd  (  0.323,   0.150,   1.507)  (  0.323,   0.150,   1.507)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.949,   0.716,  -0.364)  (  0.949,   0.716,  -0.364)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.355,  -1.875,   0.672)  (  0.355,  -1.875,   0.672)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 41       (  0.302,   0.253,  -0.644)  (  0.303,   0.254,  -0.641)  ( 0.04,  0.02,  0.15)
166:     bond    ( -1.052,   0.652,   1.694)  ( -1.051,   0.653,   1.696)  ( 0.08,  0.02,  0.13)
166:     angle   (  1.336,   3.153,  -0.385)  (  1.337,   3.153,  -0.384)  ( 0.03,  0.02,  0.01)
166:     strbnd  (  0.202,   0.175,  -1.360)  (  0.202,   0.175,  -1.360)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.348,  -0.299,  -0.101)  ( -0.348,  -0.299,  -0.101)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.164,  -3.428,  -0.491)  (  0.164,  -3.428,  -0.491)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 42       (  0.242,  -0.051,   0.087)  (  0.243,  -0.051,   0.090)  ( 0.02,  0.00,  0.03)
166:     bond    (  0.344,   0.091,  -1.789)  (  0.344,   0.091,  -1.786)  ( 0.00,  0.00,  0.18)
166:     angle   ( -2.274,   1.718,  -0.351)  ( -2.274,   1.718,  -0.351)  ( 0.02,  0.03,  0.00)
166:     strbnd  (  0.055,   0.966,   0.467)  (  0.055,   0.966,   0.467)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.347,   0.529,   0.094)  (  0.347,   0.529,   0.094)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.770,  -3.355,   1.666)  (  1.770,  -3.355,   1.666)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 43       (  0.647,   0.422,  -0.099)  (  0.648,   0.424,  -0.099)  ( 0.07,  0.12,  0.01)
166:     bond    ( -0.598,   1.361,   0.419)  ( -0.597,   1.363,   0.420)  ( 0.03,  0.19,  0.01)
166:     angle   (  0.254,   1.061,  -3.086)  (  0.255,   1.061,  -3.085)  ( 0.01,  0.01,  0.02)
166:     strbnd  (  0.585,   0.274,  -0.771)  (  0.585,   0.274,  -0.771)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.431,  -0.894,   2.291)  ( -0.431,  -0.894,   2.291)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.837,  -1.379,   1.046)  (  0.837,  -1.379,   1.046)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 44       ( -0.948,   0.980,   0.797)  ( -0.947,   0.982,   0.799)  ( 0.08,  0.11,  0.21)
166:     bond    ( -0.079,  -0.094,  -0.209)  ( -0.078,  -0.094,  -0.207)  ( 0.00,  0.00,  0.05)
166:     angle   ( -1.561,   3.754,  -1.115)  ( -1.561,   3.755,  -1.115)  ( 0.03,  0.01,  0.01)
166:     strbnd  ( -1.025,   0.299,   0.384)  ( -1.025,   0.299,   0.384)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.309,  -1.025,   0.349)  (  0.309,  -1.025,   0.349)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.408,  -1.954,   1.389)  (  1.408,  -1.954,   1.389)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 45       (  0.684,   0.907,   1.369)  (  0.687,   0.908,   1.370)  ( 0.16,  0.08,  0.09)
166:     bond    ( -1.901,   0.820,   1.194)  ( -1.899,   0.820,   1.195)  ( 0.11,  0.03,  0.07)
166:     angle   ( -0.217,  -0.147,  -0.244)  ( -0.216,  -0.146,  -0.243)  ( 0.00,  0.01,  0.01)
166:     strbnd  ( -0.303,  -0.559,  -1.117)  ( -0.303,  -0.559,  -1.117)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.043,   1.144,   0.873)  (  1.043,   1.144,   0.873)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.062,  -0.352,   0.663)  (  2.062,  -0.352,   0.663)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 46       (  0.367,  -0.348,   0.007)  (  0.368,  -0.346,   0.010)  ( 0.03,  0.04,  0.00)
166:     bond    ( -0.743,   1.942,   5.648)  ( -0.743,   1.943,   5.651)  ( 0.01,  0.02,  0.05)
166:     angle   ( -0.834,   2.429,  -0.945)  ( -0.833,   2.430,  -0.945)  ( 0.05,  0.03,  0.01)
166:     strbnd  ( -0.401,  -0.284,  -2.968)  ( -0.401,  -0.284,  -2.968)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.439,  -1.217,   0.361)  ( -0.439,  -1.217,   0.361)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.784,  -3.218,  -2.089)  (  2.784,  -3.218,  -2.089)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 47       (  0.015,  -0.265,   0.203)  (  0.016,  -0.264,   0.204)  ( 0.00,  0.04,  0.03)
166:     bond    (  0.405,  -0.387,  -0.424)  (  0.406,  -0.386,  -0.423)  ( 0.05,  0.04,  0.05)
166:     angle   ( -2.172,  -2.780,   0.450)  ( -2.171,  -2.779,   0.451)  ( 0.02,  0.01,  0.02)
166:     strbnd  ( -0.734,   0.044,   1.793)  ( -0.734,   0.044,   1.793)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.276,  -0.075,  -0.196)  ( -0.276,  -0.075,  -0.196)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.791,   2.933,  -1.421)  (  2.791,   2.933,  -1.421)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 48       ( -0.723,  -0.153,  -2.370)  ( -0.721,  -0.151,  -2.369)  ( 0.12,  0.03,  0.05)
166:     bond    ( -0.977,   1.037,   0.786)  ( -0.976,   1.038,   0.787)  ( 0.12,  0.13,  0.06)
166:     angle   ( -0.242,   0.074,  -0.397)  ( -0.241,   0.074,  -0.397)  ( 0.01,  0.00,  0.01)
166:     strbnd  (  0.015,  -0.149,  -2.101)  (  0.015,  -0.149,  -2.101)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.303,   0.391,  -0.890)  ( -0.303,   0.391,  -0.890)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.783,  -1.505,   0.233)  (  0.783,  -1.505,   0.233)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 49       (  0.608,  -1.419,  -1.523)  (  0.609,  -1.418,  -1.520)  ( 0.04,  0.06,  0.21)
166:     bond    ( -0.234,   0.800,  -3.501)  ( -0.234,   0.800,  -3.498)  ( 0.00,  0.01,  0.09)
166:     angle   ( -0.364,  -2.283,  -0.498)  ( -0.363,  -2.283,  -0.498)  ( 0.02,  0.02,  0.00)
166:     strbnd  ( -1.308,   0.802,   1.925)  ( -1.308,   0.802,   1.925)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.209,  -1.267,  -0.371)  (  1.209,  -1.267,  -0.371)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.305,   0.529,   0.922)  (  1.305,   0.529,   0.922)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 50       ( -1.926,  -0.688,  -1.325)  ( -1.925,  -0.687,  -1.323)  ( 0.05,  0.11,  0.15)
166:     bond    (  1.132,  -1.684,  -2.127)  (  1.132,  -1.683,  -2.125)  ( 0.04,  0.07,  0.08)
166:     angle   ( -0.386,   0.713,  -0.771)  ( -0.386,   0.714,  -0.771)  ( 0.02,  0.03,  0.02)
166:     strbnd  ( -0.234,  -0.477,   1.916)  ( -0.234,  -0.478,   1.916)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.839,   0.814,  -1.092)  ( -0.839,   0.814,  -1.092)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.600,  -0.054,   0.749)  ( -1.600,  -0.054,   0.749)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 51       (  0.141,  -0.997,  -1.237)  (  0.142,  -0.996,  -1.234)  ( 0.01,  0.10,  0.23)
166:     bond    ( -0.459,   0.602,  -1.366)  ( -0.459,   0.603,  -1.364)  ( 0.01,  0.03,  0.19)
166:     angle   ( -4.840,  -2.593,   0.483)  ( -4.839,  -2.592,   0.483)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( -0.066,  -0.914,  -1.669)  ( -0.066,  -0.914,  -1.669)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.609,  -0.569,  -0.456)  (  0.609,  -0.569,  -0.456)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.897,   2.477,   1.772)  (  4.897,   2.477,   1.772)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 52       ( -2.339,   0.741,   1.932)  ( -2.338,   0.742,   1.935)  ( 0.04,  0.05,  0.15)
166:     bond    ( -0.579,   0.431,  -1.609)  ( -0.579,   0.431,  -1.606)  ( 0.02,  0.01,  0.17)
166:     angle   ( -0.609,   2.084,   0.779)  ( -0.609,   2.085,   0.779)  ( 0.03,  0.02,  0.01)
166:     strbnd  (  0.098,   0.859,   1.399)  (  0.098,   0.859,   1.399)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.384,  -0.338,   0.048)  ( -0.384,  -0.338,   0.048)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.864,  -2.295,   1.315)  ( -0.864,  -2.295,   1.315)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 53       (  0.056,  -1.491,   2.539)  (  0.057,  -1.489,   2.541)  ( 0.01,  0.13,  0.06)
166:     bond    ( -1.594,   2.825,   2.595)  ( -1.593,   2.827,   2.597)  ( 0.03,  0.05,  0.05)
166:     angle   ( -1.514,  -2.295,   1.569)  ( -1.514,  -2.295,   1.569)  ( 0.03,  0.01,  0.02)
166:     strbnd  (  0.494,  -0.602,  -2.308)  (  0.494,  -0.602,  -2.308)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.240,  -0.042,   0.806)  (  1.240,  -0.042,   0.806)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.431,  -1.377,  -0.123)  (  1.431,  -1.377,  -0.123)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 54       ( -1.751,  -1.353,   0.152)  ( -1.750,  -1.352,   0.155)  ( 0.04,  0.06,  0.05)
166:     bond    ( -0.353,   0.090,   4.018)  ( -0.353,   0.090,   4.021)  ( 0.00,  0.00,  0.08)
166:     angle   ( -0.173,  -0.584,  -0.002)  ( -0.173,  -0.583,  -0.002)  ( 0.01,  0.04,  0.00)
166:     strbnd  (  0.100,  -0.938,  -1.958)  (  0.100,  -0.938,  -1.958)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.477,  -0.328,  -0.122)  ( -1.476,  -0.328,  -0.122)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.153,   0.407,  -1.784)  (  0.153,   0.407,  -1.784)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 55       ( -0.691,  -0.566,  -0.526)  ( -0.688,  -0.566,  -0.525)  ( 0.22,  0.04,  0.04)
166:     bond    ( -0.658,  -0.057,  -0.193)  ( -0.655,  -0.057,  -0.193)  ( 0.21,  0.00,  0.01)
166:     angle   (  0.205,  -4.548,   0.655)  (  0.205,  -4.547,   0.655)  ( 0.00,  0.01,  0.03)
166:     strbnd  ( -0.169,  -0.573,  -0.356)  ( -0.169,  -0.573,  -0.356)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.064,   0.110,  -0.250)  (  0.064,   0.110,  -0.250)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.132,   4.501,  -0.381)  ( -0.132,   4.502,  -0.381)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 56       ( -1.939,  -2.205,   0.809)  ( -1.938,  -2.204,   0.812)  ( 0.03,  0.03,  0.27)
166:     bond    ( -0.033,  -0.223,  -1.036)  ( -0.033,  -0.223,  -1.033)  ( 0.00,  0.00,  0.31)
166:     angle   (  0.267,  -3.200,   0.682)  (  0.267,  -3.200,   0.682)  ( 0.01,  0.02,  0.00)
166:     strbnd  (  0.445,  -0.392,   0.323)  (  0.445,  -0.392,   0.323)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.267,  -0.189,   0.049)  ( -0.267,  -0.189,   0.049)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.350,   1.799,   0.791)  ( -2.350,   1.799,   0.791)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 57       ( 47.292,  52.205, -38.554)  ( 47.297,  52.209, -38.549)  ( 0.01,  0.01,  0.01)
168:     bond    ( 26.876,  35.751, -12.136)  ( 26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
168:     angle   (  0.078,  -0.014,  -0.007)  (  0.079,  -0.013,  -0.006)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( 17.157,  20.000, -12.414)  ( 17.159,  20.000, -12.413)  ( 0.01,  0.00,  0.01)
168:     torsion (  0.014,   0.019,   0.017)  (  0.014,   0.019,   0.017)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.002,   0.006,   0.005)  (  0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.164,  -3.556, -14.019)  (  3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 58       (  3.504, -53.454,  17.121)  (  3.509, -53.448,  17.126)  ( 0.15,  0.01,  0.02)
168:     bond    (-12.452, -26.537,  26.356)  (-12.448, -26.533,  26.357)  ( 0.04,  0.01,  0.01)
168:     angle   ( -9.977,   5.381,  -2.072)  ( -9.975,   5.383,  -2.071)  ( 0.02,  0.04,  0.05)
168:     strbnd  ( 29.601, -21.772,  10.437)  ( 29.601, -21.772,  10.438)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.442,  -1.853,  -6.723)  (  1.442,  -1.853,  -6.722)  ( 0.02,  0.02,  0.01)
168:     oop     (  0.004,  -0.006,  -0.012)  (  0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.113,  -8.667, -10.865)  ( -5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 59       ( 57.517, -33.972,  18.680)  ( 57.526, -33.965,  18.684)  ( 0.02,  0.02,  0.02)
168:     bond    ( 43.256,  -7.494,  14.575)  ( 43.260,  -7.491,  14.577)  ( 0.01,  0.04,  0.01)
168:     angle   ( -5.272,   6.049,  -3.749)  ( -5.270,   6.051,  -3.748)  ( 0.03,  0.03,  0.03)
168:     strbnd  ( 14.441, -25.674,  15.790)  ( 14.443, -25.673,  15.791)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.018,   1.819,   2.940)  ( -0.018,   1.820,   2.940)  ( 0.00,  0.02,  0.02)
168:     oop     ( -0.004,  -0.006,  -0.012)  ( -0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.113,  -8.667, -10.865)  (  5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 60       (-52.445, -20.208,   0.196)  (-52.439, -20.201,   0.199)  ( 0.01,  0.04,  0.06)
168:     bond    (-30.817, -15.091,  19.379)  (-30.813, -15.086,  19.380)  ( 0.01,  0.03,  0.00)
168:     angle   (  5.186,  -6.105,   3.821)  (  5.188,  -6.103,   3.822)  ( 0.04,  0.03,  0.02)
168:     strbnd  (-26.815,  14.635, -11.154)  (-26.815,  14.635, -11.154)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.000,  -1.831,  -2.952)  (  0.001,  -1.831,  -2.951)  ( 0.00,  0.01,  0.02)
168:     oop     ( -0.000,   0.005,   0.010)  (  0.000,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.000, -11.821,  -8.908)  ( -0.000, -11.821,  -8.908)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: ok 18 # gradients 
168: ok 19 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       ( 45.804,   8.666,   0.052)  ( 45.812,   8.674,   0.106)  ( 0.02,  0.10,  0.28)
168:     bond    ( 30.636,  -6.297,   0.167)  ( 30.642,  -6.289,   0.167)  ( 0.02,  0.13,  0.00)
168:     angle   ( 32.862,  34.136,   0.480)  ( 32.865,  34.139,   0.480)  ( 0.01,  0.01,  0.00)
168:     strbnd  (-13.324,  -8.673,  -0.104)  (-13.325,  -8.674,  -0.104)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.006,   0.007,  -0.513)  (  0.006,   0.007,  -0.512)  ( 0.00,  0.00,  0.06)
168:     oop     (  0.002,   0.002,  -0.095)  (  0.001,   0.002,  -0.042)  ( 0.00,  0.00,  0.50)
168:     vdw     ( -4.980, -11.257,   0.121)  ( -4.980, -11.256,   0.121)  ( 0.00,  0.00,  0.00)
168:     electro (  0.603,   0.747,  -0.004)  (  0.603,   0.747,  -0.004)  ( 0.00,  0.00,  0.00)
168:  2       (-58.580, -33.101,  -2.074)  (-58.570, -33.093,  -1.963)  ( 0.02,  0.02,  5.36)
168:     bond    (-30.553,  -9.880,   0.169)  (-30.547,  -9.873,   0.169)  ( 0.02,  0.07,  0.00)
168:     angle   (-46.521, -10.271,   0.396)  (-46.518, -10.269,   0.396)  ( 0.01,  0.02,  0.00)
168:     strbnd  ( 17.496,  -2.306,  -0.133)  ( 17.495,  -2.306,  -0.133)  ( 0.00,  0.03,  0.00)
168:     torsion ( -0.025,   0.014,  -1.717)  ( -0.025,   0.014,  -1.715)  ( 0.00,  0.00,  0.08)
168:     oop     ( -0.004,   0.004,  -0.489)  ( -0.003,   0.003,  -0.380)  ( 0.00,  0.00,  5.38)
168:     vdw     (  1.588, -12.705,  -0.305)  (  1.588, -12.704,  -0.305)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.561,   2.042,   0.005)  ( -0.561,   2.042,   0.005)  ( 0.00,  0.00,  0.00)
168:  3       ( 29.955, -13.583,   1.499)  ( 29.962, -13.574,   1.374)  ( 0.02,  0.06,  8.32)
168:     bond    ( 39.764,   9.492,  -0.196)  ( 39.769,   9.499,  -0.196)  ( 0.01,  0.07,  0.00)
168:     angle   ( -9.543, -33.981,   0.308)  ( -9.540, -33.979,   0.308)  ( 0.03,  0.01,  0.01)
168:     strbnd  ( -7.639,   9.515,  -0.055)  ( -7.639,   9.513,  -0.055)  ( 0.00,  0.01,  0.00)
168:     torsion (  0.011,   0.725,   0.814)  (  0.011,   0.725,   0.815)  ( 0.00,  0.00,  0.09)
168:     oop     (  0.005,   0.000,   0.631)  (  0.004,   0.000,   0.505)  ( 0.00,  0.00,  7.96)
168:     vdw     (  9.366,   0.886,   0.003)  (  9.367,   0.886,   0.003)  ( 0.00,  0.00,  0.00)
168:     electro ( -2.008,  -0.220,  -0.006)  ( -2.008,  -0.220,  -0.006)  ( 0.00,  0.00,  0.00)
168:  4       (  5.799,   3.052,  -0.989)  (  5.809,   3.064,  -0.869)  ( 0.17,  0.41, 11.90)
168:     bond    (-10.729, -14.628,   0.267)  (-10.721, -14.617,   0.267)  ( 0.08,  0.07,  0.01)
168:     angle   ( 32.474,  51.618,  -0.713)  ( 32.476,  51.622,  -0.713)  ( 0.01,  0.01,  0.01)
168:     strbnd  (-21.280, -41.834,   0.455)  (-21.281, -41.837,   0.455)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.002,  -0.000,   0.339)  ( -0.002,  -0.000,   0.341)  ( 0.00,  0.00,  0.04)
168:     oop     ( -0.004,  -0.005,  -0.706)  ( -0.003,  -0.004,  -0.587)  ( 0.00,  0.00,  8.43)
168:     vdw     (  7.224,  10.517,  -0.632)  (  7.224,  10.517,  -0.632)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.885,  -2.616,  -0.000)  ( -1.885,  -2.616,  -0.000)  ( 0.00,  0.00,  0.00)
168:  5       ( 35.971,  57.674,  -1.797)  ( 35.974,  57.682,  -1.824)  ( 0.01,  0.01,  1.53)
168:     bond    ( 14.954,  25.801,  -0.346)  ( 14.956,  25.809,  -0.346)  ( 0.02,  0.03,  0.00)
168:     angle   ( -0.954,   0.553,   0.090)  ( -0.953,   0.554,   0.090)  ( 0.07,  0.01,  0.00)
168:     strbnd  ( 15.993,  27.797,  -0.361)  ( 15.993,  27.797,  -0.362)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.001,   0.000,   0.051)  (  0.001,   0.000,   0.051)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.001,   0.002,   0.182)  (  0.001,   0.001,   0.155)  ( 0.00,  0.00,  0.50)
168:     vdw     (  7.016,   4.718,  -1.422)  (  7.016,   4.718,  -1.422)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.039,  -1.196,   0.010)  ( -1.039,  -1.196,   0.010)  ( 0.00,  0.00,  0.00)
168:  6       ( -1.213,  11.041,   0.106)  ( -1.205,  11.049,  -0.021)  ( 0.68,  0.07,  1.35)
168:     bond    (-14.177,  30.083,  -0.172)  (-14.170,  30.088,  -0.172)  ( 0.05,  0.02,  0.00)
168:     angle   (  8.442, -39.763,   0.869)  (  8.444, -39.760,   0.869)  ( 0.03,  0.01,  0.03)
168:     strbnd  ( 11.495,   9.907,  -0.096)  ( 11.495,   9.907,  -0.096)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.428,  -0.249,  -1.278)  ( -0.428,  -0.249,  -1.277)  ( 0.00,  0.00,  0.07)
168:     oop     ( -0.000,   0.003,   0.773)  ( -0.000,   0.003,   0.645)  ( 0.00,  0.00,  9.94)
168:     vdw     ( -6.893,  11.755,   0.015)  ( -6.893,  11.755,   0.015)  ( 0.00,  0.00,  0.00)
168:     electro (  0.348,  -0.695,  -0.005)  (  0.348,  -0.695,  -0.005)  ( 0.00,  0.00,  0.00)
168:  7       (-20.145,  -5.329,  -0.891)  (-20.132,  -5.320,  -0.769)  ( 0.07,  0.16, 10.85)
168:     bond    ( 14.169,   8.086,   0.243)  ( 14.182,   8.092,   0.243)  ( 0.09,  0.08,  0.01)
168:     angle   (-42.998, -14.458,  -0.436)  (-42.996, -14.456,  -0.436)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( 11.153,   0.471,   0.082)  ( 11.151,   0.470,   0.082)  ( 0.01,  0.04,  0.00)
168:     torsion ( -0.004,  -0.002,   0.375)  ( -0.004,  -0.002,   0.376)  ( 0.00,  0.00,  0.03)
168:     oop     (  0.003,  -0.000,  -0.845)  (  0.003,  -0.000,  -0.724)  ( 0.00,  0.00, 10.22)
168:     vdw     ( -7.050,  -0.891,  -0.311)  ( -7.050,  -0.891,  -0.311)  ( 0.00,  0.01,  0.00)
168:     electro (  4.583,   1.466,   0.001)  (  4.583,   1.466,   0.001)  ( 0.00,  0.00,  0.00)
168:  8       (-52.573,  -1.900,  -0.457)  (-52.562,  -1.899,  -0.525)  ( 0.02,  0.06,  3.09)
168:     bond    (-33.079,   0.439,  -0.219)  (-33.068,   0.439,  -0.220)  ( 0.03,  0.01,  0.00)
168:     angle   (  0.010,   0.811,   0.102)  (  0.010,   0.812,   0.102)  ( 0.00,  0.09,  0.00)
168:     strbnd  (-14.392,  -0.434,  -0.079)  (-14.392,  -0.434,  -0.079)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.001,  -0.000,  -0.096)  (  0.001,  -0.000,  -0.096)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.002,  -0.000,   0.361)  ( -0.002,  -0.000,   0.293)  ( 0.00,  0.00,  2.44)
168:     vdw     ( -5.725,  -2.617,  -0.509)  ( -5.725,  -2.617,  -0.509)  ( 0.00,  0.01,  0.00)
168:     electro (  0.615,  -0.099,  -0.017)  (  0.615,  -0.099,  -0.017)  ( 0.00,  0.00,  0.00)
168:  9       (-31.749, -12.688,  -0.521)  (-31.740, -12.679,  -0.557)  ( 0.03,  0.06,  1.90)
168:     bond    (-31.682, -14.421,  -0.455)  (-31.675, -14.415,  -0.455)  ( 0.02,  0.04,  0.00)
168:     angle   (  5.174,   7.290,   0.065)  (  5.177,   7.293,   0.066)  ( 0.05,  0.03,  0.00)
168:     strbnd  ( -6.582,  -2.350,  -0.240)  ( -6.583,  -2.351,  -0.240)  ( 0.02,  0.05,  0.00)
168:     torsion (  0.000,   0.005,  -0.080)  (  0.000,   0.005,  -0.079)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.001,  -0.003,   0.207)  ( -0.000,  -0.002,   0.169)  ( 0.00,  0.00,  0.78)
168:     vdw     (  1.438,  -3.381,  -0.019)  (  1.438,  -3.381,  -0.019)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.095,   0.172,   0.001)  ( -0.095,   0.172,   0.001)  ( 0.00,  0.00,  0.00)
168: 10       (-10.933, -27.650,  -0.039)  (-10.928, -27.644,  -0.102)  ( 0.04,  0.02,  0.25)
168:     bond    (-32.483, -35.767,  -0.526)  (-32.480, -35.763,  -0.526)  ( 0.01,  0.01,  0.01)
168:     angle   ( 26.625,   6.434,  -0.197)  ( 26.627,   6.434,  -0.197)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -1.629,   3.816,   0.065)  ( -1.629,   3.816,   0.065)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.008,  -0.005,   0.486)  (  0.008,  -0.005,   0.486)  ( 0.00,  0.00,  0.02)
168:     oop     (  0.002,  -0.005,   0.355)  (  0.001,  -0.005,   0.291)  ( 0.00,  0.00,  2.26)
168:     vdw     ( -3.198,  -3.532,  -0.228)  ( -3.198,  -3.531,  -0.228)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.259,   1.410,   0.007)  ( -0.259,   1.410,   0.007)  ( 0.00,  0.00,  0.00)
168: 11       ( 35.883,   8.664,  -0.338)  ( 35.889,   8.671,  -0.245)  ( 0.02,  0.08,  3.13)
168:     bond    ( 44.495,  11.383,   0.093)  ( 44.502,  11.390,   0.093)  ( 0.01,  0.06,  0.00)
168:     angle   ( -0.477,  -4.825,  -0.116)  ( -0.475,  -4.823,  -0.116)  ( 0.09,  0.05,  0.00)
168:     strbnd  (-12.211,   2.309,   0.059)  (-12.213,   2.308,   0.059)  ( 0.02,  0.02,  0.00)
168:     torsion ( -0.001,  -0.001,   0.053)  ( -0.001,  -0.001,   0.054)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,   0.010,  -0.488)  ( -0.000,   0.008,  -0.397)  ( 0.00,  0.00,  4.49)
168:     vdw     (  4.096,  -0.193,   0.062)  (  4.096,  -0.193,   0.062)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.018,  -0.019,  -0.000)  ( -0.018,  -0.019,  -0.000)  ( 0.00,  0.00,  0.00)
168: 12       ( 17.293,   2.712,   1.183)  ( 17.298,   2.719,   1.174)  ( 0.03,  0.24,  0.78)
168:     bond    ( 20.776,   7.319,   0.909)  ( 20.781,   7.324,   0.914)  ( 0.02,  0.06,  0.43)
168:     angle   (-13.754,  -4.812,  -0.102)  (-13.752,  -4.809,  -0.101)  ( 0.01,  0.04,  0.02)
168:     strbnd  ( 12.427,   3.908,   0.157)  ( 12.424,   3.908,   0.156)  ( 0.02,  0.02,  0.01)
168:     torsion ( -0.002,  -0.005,   0.222)  ( -0.002,  -0.005,   0.222)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.001,  -0.001,   0.057)  ( -0.000,  -0.001,   0.042)  ( 0.00,  0.00,  0.09)
168:     vdw     ( -1.953,  -4.180,  -0.065)  ( -1.953,  -4.180,  -0.065)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.199,   0.482,   0.005)  ( -0.199,   0.482,   0.005)  ( 0.00,  0.00,  0.00)
168: 13       (-10.045,  -5.608,   1.125)  (-10.040,  -5.601,   1.145)  ( 0.05,  0.12,  1.79)
168:     bond    (-22.923,  -0.335,   0.145)  (-22.919,  -0.330,   0.150)  ( 0.02,  0.16,  0.07)
168:     angle   (  7.410,   2.850,  -0.382)  (  7.411,   2.852,  -0.380)  ( 0.03,  0.07,  0.06)
168:     strbnd  (  0.558,  -0.831,  -0.003)  (  0.557,  -0.831,  -0.003)  ( 0.07,  0.03,  0.00)
168:     torsion (  0.051,  -3.726,   1.437)  (  0.051,  -3.726,   1.438)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.001,  -0.000,  -0.079)  ( -0.001,  -0.000,  -0.065)  ( 0.00,  0.00,  0.11)
168:     vdw     (  6.098,  -3.967,   0.005)  (  6.098,  -3.967,   0.005)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.238,   0.401,   0.001)  ( -1.238,   0.401,   0.001)  ( 0.00,  0.00,  0.00)
168: 14       (  6.287,  -6.477,   3.822)  (  6.293,  -6.472,   3.842)  ( 0.10,  0.08,  0.53)
168:     bond    ( 11.197, -20.692,  -0.065)  ( 11.201, -20.688,  -0.061)  ( 0.04,  0.02,  0.03)
168:     angle   ( -3.458,   7.005,  -0.620)  ( -3.456,   7.007,  -0.619)  ( 0.06,  0.03,  0.09)
168:     strbnd  (  0.022,   0.227,   0.010)  (  0.021,   0.226,   0.009)  ( 0.00,  0.02,  0.00)
168:     torsion (  2.182,   1.253,   4.593)  (  2.182,   1.253,   4.593)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,  -0.001,  -0.092)  (  0.000,  -0.001,  -0.078)  ( 0.00,  0.00,  0.13)
168:     vdw     ( -4.679,   7.355,  -0.008)  ( -4.679,   7.355,  -0.008)  ( 0.00,  0.00,  0.00)
168:     electro (  1.023,  -1.624,   0.005)  (  1.023,  -1.624,   0.005)  ( 0.00,  0.00,  0.00)
168: 15       ( -0.856,   6.294,   0.492)  ( -0.855,   6.299,   0.441)  ( 0.07,  0.08,  2.50)
168:     bond    ( -0.036,   7.926,   0.175)  ( -0.036,   7.930,   0.175)  ( 0.00,  0.05,  0.00)
168:     angle   ( -5.802,  -0.026,  -0.014)  ( -5.802,  -0.026,  -0.014)  ( 0.01,  0.00,  0.00)
168:     strbnd  (  3.604,  -0.129,  -0.013)  (  3.604,  -0.129,  -0.013)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.001,  -0.003,   0.136)  (  0.001,  -0.003,   0.136)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,  -0.005,   0.223)  (  0.000,  -0.004,   0.172)  ( 0.00,  0.00,  1.13)
168:     vdw     (  1.248,  -1.217,  -0.011)  (  1.248,  -1.217,  -0.011)  ( 0.00,  0.00,  0.00)
168:     electro (  0.130,  -0.252,  -0.003)  (  0.130,  -0.252,  -0.003)  ( 0.00,  0.00,  0.00)
168: 16       (  3.795,  -2.075,  -0.170)  (  3.796,  -2.072,  -0.169)  ( 0.02,  0.17,  0.01)
168:     bond    ( -0.033,  -1.994,  -0.084)  ( -0.033,  -1.991,  -0.084)  ( 0.00,  0.17,  0.00)
168:     angle   (  5.569,  -0.090,  -0.056)  (  5.570,  -0.090,  -0.056)  ( 0.01,  0.00,  0.00)
168:     strbnd  (  2.049,   1.116,   0.067)  (  2.049,   1.116,   0.067)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.000,   0.000,  -0.009)  (  0.000,   0.000,  -0.009)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.791,  -1.108,  -0.087)  ( -3.791,  -1.108,  -0.087)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 17       (  3.734,   1.697,   3.317)  (  3.735,   1.697,   3.320)  ( 0.03,  0.05,  0.08)
168:     bond    ( -0.653,   0.424,   1.150)  ( -0.653,   0.424,   1.152)  ( 0.05,  0.01,  0.21)
168:     angle   (  4.116,   2.173,   1.530)  (  4.116,   2.174,   1.530)  ( 0.01,  0.02,  0.01)
168:     strbnd  (  2.185,   0.599,  -0.219)  (  2.185,   0.599,  -0.219)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.003,  -0.008,   0.004)  (  0.003,  -0.008,   0.004)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.916,  -1.492,   0.852)  ( -1.916,  -1.492,   0.852)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 18       (  3.357,   1.877,  -3.735)  (  3.358,   1.877,  -3.733)  ( 0.04,  0.05,  0.07)
168:     bond    ( -0.951,   0.766,  -1.640)  ( -0.950,   0.766,  -1.638)  ( 0.07,  0.04,  0.14)
168:     angle   (  4.217,   2.283,  -1.378)  (  4.217,   2.284,  -1.377)  ( 0.01,  0.02,  0.01)
168:     strbnd  (  2.195,   0.574,   0.319)  (  2.195,   0.574,   0.319)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.003,   0.007,   0.005)  ( -0.003,   0.007,   0.005)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.102,  -1.754,  -1.042)  ( -2.101,  -1.754,  -1.042)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 19       ( -0.948,   1.749,  -2.994)  ( -0.947,   1.750,  -2.991)  ( 0.08,  0.04,  0.10)
168:     bond    (  0.687,   0.547,  -1.969)  (  0.688,   0.547,  -1.967)  ( 0.02,  0.01,  0.15)
168:     angle   ( -2.117,   0.190,  -0.687)  ( -2.116,   0.190,  -0.687)  ( 0.02,  0.01,  0.01)
168:     strbnd  ( -1.351,  -0.031,   0.069)  ( -1.351,  -0.031,   0.069)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.009,   1.344,   0.371)  ( -0.009,   1.344,   0.371)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.840,  -0.300,  -0.777)  (  1.840,  -0.300,  -0.777)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 20       (  3.214,  -1.427,   1.320)  (  3.215,  -1.424,   1.320)  ( 0.03,  0.21,  0.05)
168:     bond    (  0.757,  -1.956,   0.504)  (  0.757,  -1.953,   0.504)  ( 0.03,  0.15,  0.01)
168:     angle   ( -2.944,  -1.085,   0.217)  ( -2.943,  -1.085,   0.218)  ( 0.02,  0.01,  0.01)
168:     strbnd  ( -1.362,   0.055,  -0.006)  ( -1.362,   0.055,  -0.006)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.001,  -0.023,  -0.087)  ( -0.001,  -0.023,  -0.087)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  6.765,   1.580,   0.691)  (  6.765,   1.580,   0.691)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 21       (  1.311,   2.298,   1.796)  (  1.312,   2.300,   1.798)  ( 0.07,  0.08,  0.10)
168:     bond    (  0.773,   1.536,   1.536)  (  0.773,   1.538,   1.538)  ( 0.03,  0.10,  0.10)
168:     angle   ( -2.380,   0.642,   0.554)  ( -2.380,   0.642,   0.554)  ( 0.02,  0.02,  0.01)
168:     strbnd  ( -1.349,  -0.045,  -0.017)  ( -1.349,  -0.045,  -0.017)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.034,   1.670,  -1.653)  ( -0.034,   1.670,  -1.653)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.301,  -1.506,   1.375)  (  4.301,  -1.506,   1.375)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 22       ( -2.919,   0.875,   1.448)  ( -2.916,   0.876,   1.450)  ( 0.08,  0.06,  0.11)
168:     bond    ( -1.870,  -0.110,   1.417)  ( -1.868,  -0.110,   1.418)  ( 0.12,  0.00,  0.09)
168:     angle   (  0.520,  -2.593,   0.484)  (  0.520,  -2.593,   0.484)  ( 0.01,  0.02,  0.01)
168:     strbnd  (  0.654,  -1.205,   0.011)  (  0.654,  -1.205,   0.011)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.476,  -0.834,  -2.010)  ( -1.476,  -0.834,  -2.010)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.746,   5.617,   1.547)  ( -0.746,   5.617,   1.547)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 23       ( -2.177,   4.626,   0.844)  ( -2.175,   4.628,   0.845)  ( 0.08,  0.05,  0.06)
168:     bond    (  1.483,   1.776,   0.765)  (  1.485,   1.778,   0.766)  ( 0.09,  0.10,  0.03)
168:     angle   (  2.624,  -2.307,   0.268)  (  2.625,  -2.307,   0.268)  ( 0.01,  0.01,  0.01)
168:     strbnd  (  0.634,  -1.241,  -0.006)  (  0.634,  -1.242,  -0.006)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.519,   0.264,  -1.620)  (  0.519,   0.264,  -1.620)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -7.437,   6.134,   1.436)  ( -7.437,   6.134,   1.436)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 24       ( -0.385,  -1.508,  -3.050)  ( -0.385,  -1.508,  -3.047)  ( 0.03,  0.04,  0.10)
168:     bond    ( -0.615,   0.404,  -1.895)  ( -0.615,   0.404,  -1.892)  ( 0.02,  0.01,  0.16)
168:     angle   (  0.873,  -1.806,  -0.669)  (  0.873,  -1.806,  -0.669)  ( 0.04,  0.03,  0.01)
168:     strbnd  (  0.665,  -1.206,   0.041)  (  0.665,  -1.206,   0.041)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.796,  -0.434,   0.166)  ( -0.796,  -0.434,   0.166)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.512,   1.534,  -0.692)  ( -0.512,   1.534,  -0.692)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: ok 20 # gradients 
168: ok 21 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       (  1.436,   0.635,  -0.080)  (  1.441,   0.640,  -0.074)  ( 0.35,  0.34,  0.05)
168:     bond    (  0.905,   2.623,   8.120)  (  0.909,   2.627,   8.124)  ( 0.37,  0.15,  0.05)
168:     angle   (  7.385,   0.772,  -9.892)  (  7.388,   0.774,  -9.889)  ( 0.03,  0.16,  0.02)
168:     strbnd  (  0.181,   1.490,  -0.840)  (  0.180,   1.489,  -0.841)  ( 0.02,  0.06,  0.05)
168:     torsion ( -3.658,  -1.057,   2.616)  ( -3.658,  -1.057,   2.616)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.221,  -3.068,  -0.045)  ( -3.221,  -3.068,  -0.045)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.156,  -0.125,  -0.039)  ( -0.156,  -0.125,  -0.039)  ( 0.00,  0.00,  0.00)
168:  2       (  0.736,   0.034,   0.004)  (  0.742,   0.039,   0.010)  ( 0.41,  0.02,  0.00)
168:     bond    ( 11.123,  -1.351,  -2.048)  ( 11.127,  -1.347,  -2.044)  ( 0.04,  0.29,  0.21)
168:     angle   ( -8.045,   1.278,   9.737)  ( -8.043,   1.280,   9.739)  ( 0.03,  0.16,  0.02)
168:     strbnd  (  0.965,  -2.280,   1.631)  (  0.965,  -2.281,   1.630)  ( 0.07,  0.04,  0.02)
168:     torsion (  4.294,   0.736,  -3.479)  (  4.294,   0.736,  -3.478)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -7.601,   1.652,  -5.836)  ( -7.601,   1.652,  -5.836)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  3       (  0.562,   0.076,  -0.092)  (  0.566,   0.081,  -0.087)  ( 0.27,  0.04,  0.05)
168:     bond    (  6.097,  -9.677,  17.390)  (  6.101,  -9.673,  17.394)  ( 0.06,  0.04,  0.02)
168:     angle   ( -1.378,   4.252, -13.110)  ( -1.376,   4.254, -13.108)  ( 0.15,  0.05,  0.02)
168:     strbnd  (  0.257,   0.181,  -0.552)  (  0.256,   0.180,  -0.552)  ( 0.03,  0.01,  0.03)
168:     torsion ( -0.355,   2.764,   0.802)  ( -0.355,   2.764,   0.802)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -4.059,   2.557,  -4.623)  ( -4.059,   2.557,  -4.623)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  4       (  1.512,   0.156,  -0.055)  (  1.517,   0.176,   0.019)  ( 0.34,  0.31,  0.40)
168:     bond    (  8.642,  10.885,  -8.146)  (  8.646,  10.889,  -8.142)  ( 0.04,  0.04,  0.05)
168:     angle   ( -7.598,  -8.113,  12.883)  ( -7.596,  -8.111,  12.884)  ( 0.03,  0.02,  0.01)
168:     strbnd  ( -1.384,   1.903,  -1.050)  ( -1.385,   1.903,  -1.050)  ( 0.08,  0.03,  0.05)
168:     torsion (  3.685,   2.177,  -4.847)  (  3.685,   2.177,  -4.846)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.002,  -0.088,  -0.446)  ( -0.002,  -0.075,  -0.377)  ( 0.00,  0.12,  3.03)
168:     vdw     ( -1.895,  -6.707,   1.430)  ( -1.894,  -6.706,   1.430)  ( 0.00,  0.00,  0.00)
168:     electro (  0.063,   0.099,   0.121)  (  0.063,   0.099,   0.121)  ( 0.00,  0.00,  0.00)
168:  5       ( -8.945,   4.312,  -0.274)  ( -8.934,   4.277,  -0.481)  ( 0.12,  0.80,  5.66)
168:     bond    (-12.705,  14.137,  -1.636)  (-12.697,  14.141,  -1.636)  ( 0.06,  0.03,  0.02)
168:     angle   (  1.253,   3.126,  -9.477)  (  1.254,   3.128,  -9.476)  ( 0.12,  0.05,  0.01)
168:     strbnd  (  1.419,  -3.117,   0.027)  (  1.419,  -3.117,   0.027)  ( 0.04,  0.02,  0.00)
168:     torsion ( -0.255,   1.581,   7.797)  ( -0.255,   1.581,   7.798)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.011,   0.244,   1.272)  ( -0.008,   0.203,   1.063)  ( 0.00,  0.98, 16.38)
168:     vdw     (  0.999, -11.742,   1.783)  (  0.999, -11.742,   1.783)  ( 0.02,  0.00,  0.00)
168:     electro (  0.355,   0.083,  -0.040)  (  0.355,   0.083,  -0.040)  ( 0.00,  0.00,  0.00)
168:  6       (  8.712,  -4.725,   1.481)  (  8.721,  -4.712,   1.502)  ( 0.11,  0.28,  1.43)
168:     bond    (  3.884,   4.853,  -0.204)  (  3.892,   4.858,  -0.204)  ( 0.19,  0.11,  0.01)
168:     angle   (  1.621,  -0.921,   2.154)  (  1.622,  -0.919,   2.155)  ( 0.08,  0.16,  0.02)
168:     strbnd  ( -1.690,   1.656,  -0.349)  ( -1.691,   1.655,  -0.349)  ( 0.04,  0.03,  0.00)
168:     torsion ( -0.062,  -0.722,  -2.668)  ( -0.062,  -0.722,  -2.667)  ( 0.00,  0.00,  0.04)
168:     oop     ( -0.011,  -0.030,  -0.074)  ( -0.010,  -0.023,  -0.055)  ( 0.00,  0.02,  0.14)
168:     vdw     (  4.938,  -9.590,   2.718)  (  4.938,  -9.589,   2.718)  ( 0.00,  0.00,  0.00)
168:     electro (  0.032,   0.028,  -0.096)  (  0.032,   0.028,  -0.096)  ( 0.00,  0.00,  0.00)
168:  7       ( -1.422,   0.562,  -0.406)  ( -1.418,   0.571,  -0.376)  ( 0.28,  0.47,  1.19)
168:     bond    (-11.282,  11.208,   0.541)  (-11.278,  11.212,   0.545)  ( 0.04,  0.03,  0.24)
168:     angle   (  9.286,  -4.053,  -3.402)  (  9.288,  -4.051,  -3.400)  ( 0.02,  0.05,  0.04)
168:     strbnd  (  0.811,  -0.072,  -0.853)  (  0.810,  -0.073,  -0.854)  ( 0.06,  0.01,  0.03)
168:     torsion ( -1.331,  -0.869,   0.696)  ( -1.331,  -0.869,   0.696)  ( 0.00,  0.00,  0.02)
168:     oop     (  0.009,  -0.020,  -0.131)  (  0.007,  -0.017,  -0.108)  ( 0.00,  0.01,  0.31)
168:     vdw     (  0.881,  -5.592,   2.703)  (  0.881,  -5.592,   2.703)  ( 0.01,  0.00,  0.00)
168:     electro (  0.204,  -0.039,   0.041)  (  0.204,  -0.039,   0.041)  ( 0.00,  0.00,  0.00)
168:  8       (  0.736,   0.178,   0.067)  (  0.740,   0.183,   0.072)  ( 0.35,  0.09,  0.04)
168:     bond    ( -1.261,  -2.729, -19.147)  ( -1.258,  -2.725, -19.143)  ( 0.27,  0.13,  0.02)
168:     angle   ( -9.942,   7.503,  26.405)  ( -9.940,   7.505,  26.407)  ( 0.02,  0.03,  0.01)
168:     strbnd  (  4.138,   2.113,   0.872)  (  4.137,   2.112,   0.871)  ( 0.02,  0.04,  0.03)
168:     torsion (  2.267,  -2.809,  -7.166)  (  2.267,  -2.809,  -7.166)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.533,  -3.900,  -0.897)  (  5.533,  -3.899,  -0.897)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  9       (  0.364,   0.232,  -0.008)  (  0.369,   0.237,  -0.002)  ( 0.20,  0.11,  0.00)
168:     bond    ( -6.983,  11.163,   5.799)  ( -6.980,  11.166,   5.803)  ( 0.06,  0.03,  0.07)
168:     angle   (  6.589,   0.564, -10.864)  (  6.592,   0.566, -10.862)  ( 0.04,  0.12,  0.02)
168:     strbnd  ( -4.331,  -9.696,   0.323)  ( -4.332,  -9.697,   0.323)  ( 0.02,  0.01,  0.01)
168:     torsion (  0.192,   1.536,   1.287)  (  0.192,   1.536,   1.287)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.897,  -3.334,   3.446)  (  4.897,  -3.334,   3.447)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 10       (  0.279,   0.320,   0.215)  (  0.284,   0.326,   0.221)  ( 0.13,  0.18,  0.13)
168:     bond    (  3.926,  16.947,  -8.842)  (  3.929,  16.951,  -8.838)  ( 0.09,  0.02,  0.05)
168:     angle   ( -6.642,  -8.727,   8.491)  ( -6.640,  -8.725,   8.493)  ( 0.03,  0.02,  0.02)
168:     strbnd  ( -1.913,  -4.925,   2.830)  ( -1.914,  -4.925,   2.830)  ( 0.05,  0.01,  0.02)
168:     torsion ( -1.013,  -0.173,  -1.195)  ( -1.013,  -0.173,  -1.195)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.922,  -2.802,  -1.070)  (  5.922,  -2.802,  -1.070)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 11       (  0.045,   0.535,   0.496)  (  0.051,   0.539,   0.502)  ( 0.03,  0.24,  0.29)
168:     bond    (-22.008,  -2.471,  -8.891)  (-22.004,  -2.468,  -8.886)  ( 0.02,  0.14,  0.05)
168:     angle   ( 15.128,   5.024,   5.636)  ( 15.130,   5.026,   5.638)  ( 0.01,  0.04,  0.03)
168:     strbnd  (  6.334,   1.549,   3.089)  (  6.333,   1.548,   3.089)  ( 0.01,  0.06,  0.02)
168:     torsion ( -1.616,   1.448,   1.166)  ( -1.616,   1.448,   1.166)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.209,  -5.015,  -0.504)  (  2.209,  -5.015,  -0.504)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 12       (  0.018,  -0.028,  -0.133)  (  0.022,  -0.023,  -0.128)  ( 0.01,  0.01,  0.07)
168:     bond    (-12.958,  14.537,  15.529)  (-12.956,  14.540,  15.533)  ( 0.02,  0.02,  0.03)
168:     angle   (  5.486, -21.711, -16.528)  (  5.488, -21.709, -16.526)  ( 0.04,  0.01,  0.01)
168:     strbnd  (  4.156,   8.341,  -1.058)  (  4.155,   8.340,  -1.059)  ( 0.02,  0.01,  0.04)
168:     torsion (  0.521,  -0.105,  -0.116)  (  0.521,  -0.105,  -0.116)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.814,  -1.090,   2.040)  (  2.814,  -1.090,   2.040)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 13       ( -0.345,  -0.098,  -0.425)  ( -0.340,  -0.093,  -0.420)  ( 0.16,  0.05,  0.21)
168:     bond    ( 19.196, -25.927,  -5.472)  ( 19.199, -25.923,  -5.468)  ( 0.02,  0.01,  0.07)
168:     angle   (-20.973,  31.110,   6.384)  (-20.971,  31.112,   6.386)  ( 0.01,  0.01,  0.03)
168:     strbnd  ( -1.801,  -4.659,   1.967)  ( -1.802,  -4.660,   1.966)  ( 0.04,  0.02,  0.03)
168:     torsion (  2.190,  -1.303,  -1.287)  (  2.190,  -1.303,  -1.287)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.043,   0.681,  -2.017)  (  1.043,   0.681,  -2.017)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 14       ( -0.307,  -0.668,  -1.189)  ( -0.302,  -0.663,  -1.183)  ( 0.14,  0.32,  0.49)
168:     bond    (-22.467,  22.959, -11.970)  (-22.463,  22.963, -11.965)  ( 0.01,  0.02,  0.04)
168:     angle   ( 20.677, -26.111,   8.252)  ( 20.679, -26.109,   8.254)  ( 0.01,  0.01,  0.02)
168:     strbnd  (  1.372,  -1.663,  -0.432)  (  1.371,  -1.664,  -0.432)  ( 0.07,  0.05,  0.02)
168:     torsion ( -0.738,   1.381,   1.027)  ( -0.738,   1.381,   1.027)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.849,   2.766,   1.934)  (  0.849,   2.766,   1.934)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 15       ( -0.779,  -0.703,  -0.742)  ( -0.774,  -0.698,  -0.735)  ( 0.36,  0.34,  0.45)
168:     bond    ( 11.046, -27.491,   7.813)  ( 11.049, -27.488,   7.817)  ( 0.03,  0.01,  0.06)
168:     angle   (-13.695,  29.364,  -9.854)  (-13.693,  29.366,  -9.852)  ( 0.01,  0.01,  0.02)
168:     strbnd  ( -1.160,   1.909,  -1.027)  ( -1.161,   1.909,  -1.027)  ( 0.08,  0.04,  0.03)
168:     torsion (  0.502,  -0.879,  -1.143)  (  0.502,  -0.879,  -1.143)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.527,  -3.606,   3.470)  (  2.528,  -3.606,   3.470)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 16       ( -1.065,  -0.614,   1.036)  ( -1.061,  -0.609,   1.042)  ( 0.45,  0.30,  0.57)
168:     bond    ( -9.763,  20.766,  -9.836)  ( -9.759,  20.769,  -9.832)  ( 0.04,  0.02,  0.05)
168:     angle   (  9.857, -21.778,   9.882)  (  9.859, -21.776,   9.884)  ( 0.02,  0.01,  0.02)
168:     strbnd  (  0.357,   0.332,   0.998)  (  0.356,   0.331,   0.998)  ( 0.03,  0.03,  0.03)
168:     torsion ( -0.978,   0.700,   0.353)  ( -0.978,   0.700,   0.353)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.539,  -0.634,  -0.360)  ( -0.539,  -0.634,  -0.360)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 17       ( -1.087,  -1.069,   0.177)  ( -1.083,  -1.064,   0.183)  ( 0.43,  0.46,  0.10)
168:     bond    ( -1.901, -13.454,  13.464)  ( -1.897, -13.450,  13.468)  ( 0.18,  0.03,  0.03)
168:     angle   (  1.193,   9.826, -16.679)  (  1.195,   9.828, -16.677)  ( 0.18,  0.02,  0.01)
168:     strbnd  ( -3.337,   0.795,   1.409)  ( -3.338,   0.794,   1.408)  ( 0.03,  0.08,  0.02)
168:     torsion (  0.974,   1.005,   1.909)  (  0.974,   1.005,   1.909)  ( 0.00,  0.01,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.983,   0.759,   0.074)  (  1.983,   0.759,   0.074)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 18       ( -0.972,  -1.131,   0.537)  ( -0.966,  -1.126,   0.543)  ( 0.57,  0.45,  0.31)
168:     bond    (  8.970,  -7.168,  -3.472)  (  8.974,  -7.164,  -3.467)  ( 0.05,  0.06,  0.13)
168:     angle   ( -7.660,   2.779,   4.648)  ( -7.658,   2.781,   4.650)  ( 0.02,  0.07,  0.04)
168:     strbnd  ( -0.534,  -1.586,   1.106)  ( -0.535,  -1.587,   1.106)  ( 0.03,  0.05,  0.04)
168:     torsion ( -0.534,  -0.161,  -0.695)  ( -0.534,  -0.161,  -0.695)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.214,   5.005,  -1.050)  ( -1.214,   5.005,  -1.050)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 19       ( -0.892,  -1.390,  -0.413)  ( -0.887,  -1.384,  -0.407)  ( 0.44,  0.43,  0.23)
168:     bond    (-14.431,   0.239,  -5.354)  (-14.427,   0.243,  -5.350)  ( 0.03,  0.11,  0.08)
168:     angle   (  5.190,  -0.465,   6.381)  (  5.192,  -0.463,   6.382)  ( 0.04,  0.09,  0.03)
168:     strbnd  (  2.347,  -0.745,   1.442)  (  2.346,  -0.746,   1.441)  ( 0.04,  0.03,  0.03)
168:     torsion (  0.871,  -0.786,  -1.907)  (  0.871,  -0.786,  -1.907)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.131,   0.367,  -0.974)  (  5.131,   0.367,  -0.974)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 20       ( -1.255,   0.127,  -0.110)  ( -1.249,   0.133,  -0.106)  ( 0.48,  0.08,  0.05)
168:     bond    (  4.252,  -7.565,  15.329)  (  4.256,  -7.560,  15.333)  ( 0.11,  0.06,  0.03)
168:     angle   (  1.408,   3.130,  -7.552)  (  1.409,   3.132,  -7.550)  ( 0.13,  0.06,  0.03)
168:     strbnd  (  0.392,   0.525,  -4.232)  (  0.392,   0.524,  -4.233)  ( 0.02,  0.03,  0.02)
168:     torsion ( -2.747,   1.008,   0.725)  ( -2.747,   1.008,   0.725)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -4.560,   3.029,  -4.380)  ( -4.560,   3.029,  -4.380)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 21       (  0.264,   0.125,  -0.017)  (  0.269,   0.129,  -0.012)  ( 0.13,  0.06,  0.01)
168:     bond    ( 20.008,  -3.510,  -2.218)  ( 20.012,  -3.507,  -2.215)  ( 0.02,  0.09,  0.15)
168:     angle   (-15.231,  -7.030,   0.649)  (-15.229,  -7.028,   0.651)  ( 0.01,  0.03,  0.15)
168:     strbnd  ( -8.351,  11.149,   4.002)  ( -8.352,  11.148,   4.001)  ( 0.01,  0.01,  0.02)
168:     torsion (  1.984,  -2.010,  -1.712)  (  1.984,  -2.010,  -1.712)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.854,   1.526,  -0.737)  (  1.854,   1.526,  -0.737)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 22       (  0.427,   0.342,  -0.042)  (  0.433,   0.348,  -0.037)  ( 0.25,  0.20,  0.02)
168:     bond    (  4.959,  -8.811, -19.046)  (  4.964,  -8.806, -19.042)  ( 0.09,  0.05,  0.02)
168:     angle   ( -3.781,   3.630,  13.839)  ( -3.779,   3.632,  13.841)  ( 0.05,  0.05,  0.01)
168:     strbnd  (  1.990,  -1.284,  -2.382)  (  1.989,  -1.285,  -2.383)  ( 0.02,  0.04,  0.04)
168:     torsion ( -0.424,  -0.578,   0.131)  ( -0.424,  -0.578,   0.131)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.317,   7.386,   7.417)  ( -2.317,   7.386,   7.417)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 23       (  0.262,   0.237,   0.013)  (  0.267,   0.243,   0.019)  ( 0.12,  0.14,  0.01)
168:     bond    ( -9.101, -14.027,  14.486)  ( -9.097, -14.023,  14.490)  ( 0.04,  0.03,  0.03)
168:     angle   ( 10.251,   5.425, -14.704)  ( 10.253,   5.427, -14.702)  ( 0.02,  0.04,  0.01)
168:     strbnd  (  4.541,  -0.227,   0.888)  (  4.540,  -0.227,   0.888)  ( 0.02,  0.01,  0.06)
168:     torsion ( -1.610,   3.720,   3.452)  ( -1.610,   3.720,   3.452)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.819,   5.346,  -4.109)  ( -3.819,   5.346,  -4.109)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 24       (  0.357,   0.362,   0.364)  (  0.362,   0.367,   0.370)  ( 0.18,  0.17,  0.22)
168:     bond    ( 21.264, -13.824,  -2.826)  ( 21.268, -13.820,  -2.821)  ( 0.02,  0.03,  0.16)
168:     angle   (-16.268,  12.918,  11.920)  (-16.266,  12.920,  11.922)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( -2.042,  -2.702,   2.306)  ( -2.043,  -2.703,   2.305)  ( 0.04,  0.04,  0.01)
168:     torsion (  0.242,  -0.309,  -3.665)  (  0.242,  -0.309,  -3.665)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.840,   4.280,  -7.371)  ( -2.839,   4.280,  -7.371)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 25       (  0.298,   0.643,   0.076)  (  0.302,   0.648,   0.081)  ( 0.13,  0.32,  0.04)
168:     bond    (-17.007,  -1.605,  19.177)  (-17.004,  -1.602,  19.181)  ( 0.02,  0.21,  0.02)
168:     angle   ( 20.289, -11.578, -20.050)  ( 20.291, -11.576, -20.048)  ( 0.01,  0.02,  0.01)
168:     strbnd  (  0.219,   4.268,  -0.478)  (  0.218,   4.267,  -0.478)  ( 0.02,  0.02,  0.02)
168:     torsion ( -1.834,   2.984,   4.550)  ( -1.834,   2.984,   4.550)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.369,   6.574,  -3.124)  ( -1.369,   6.574,  -3.124)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 26       (  1.702,  -0.982,   0.019)  (  1.706,  -0.964,   0.099)  ( 0.20,  1.69,  0.15)
168:     bond    ( 15.847,  -1.098,  -7.962)  ( 15.850,  -1.095,  -7.959)  ( 0.02,  0.29,  0.04)
168:     angle   (-11.285,  -1.723,  11.202)  (-11.283,  -1.722,  11.203)  ( 0.02,  0.12,  0.02)
168:     strbnd  ( -2.536,   2.403,   1.664)  ( -2.537,   2.402,   1.663)  ( 0.03,  0.03,  0.04)
168:     torsion (  1.195,  -2.901,  -3.945)  (  1.195,  -2.901,  -3.945)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.005,  -0.076,  -0.452)  (  0.004,  -0.063,  -0.376)  ( 0.00,  0.10,  3.40)
168:     vdw     ( -1.368,   2.242,  -0.525)  ( -1.367,   2.242,  -0.525)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.155,   0.173,   0.037)  ( -0.155,   0.173,   0.037)  ( 0.00,  0.00,  0.00)
168: 27       (  0.236,   0.612,   0.037)  (  0.242,   0.618,   0.042)  ( 0.14,  0.35,  0.02)
168:     bond    (  5.055, -10.233, -17.302)  (  5.059, -10.229, -17.298)  ( 0.09,  0.04,  0.02)
168:     angle   ( -3.183,   7.842,  10.800)  ( -3.181,   7.843,  10.802)  ( 0.06,  0.02,  0.02)
168:     strbnd  (  1.203,   0.907,  -0.607)  (  1.203,   0.907,  -0.608)  ( 0.04,  0.05,  0.06)
168:     torsion ( -0.959,  -0.405,  -0.114)  ( -0.959,  -0.405,  -0.114)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.881,   2.501,   7.260)  ( -1.880,   2.501,   7.260)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 28       (  2.639,  -0.334,  -0.722)  (  2.643,  -0.333,  -0.718)  ( 0.16,  0.06,  0.35)
168:     bond    (  7.820,   3.623,  -3.208)  (  7.824,   3.624,  -3.204)  ( 0.05,  0.03,  0.12)
168:     angle   ( -2.167,   1.247,   4.426)  ( -2.166,   1.247,   4.428)  ( 0.01,  0.03,  0.03)
168:     strbnd  (  0.310,   0.219,   0.140)  (  0.310,   0.219,   0.140)  ( 0.00,  0.00,  0.01)
168:     torsion (  0.871,  -2.454,  -0.635)  (  0.871,  -2.454,  -0.635)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.614,  -2.920,  -1.379)  ( -3.614,  -2.920,  -1.379)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.581,  -0.048,  -0.068)  ( -0.581,  -0.048,  -0.068)  ( 0.00,  0.00,  0.00)
168: 29       (  0.408,   0.492,   0.031)  (  0.409,   0.493,   0.034)  ( 0.03,  0.06,  0.01)
168:     bond    ( -1.093,   2.730,   5.745)  ( -1.093,   2.731,   5.748)  ( 0.01,  0.02,  0.04)
168:     angle   ( -0.447,  -1.804,   0.772)  ( -0.446,  -1.803,   0.772)  ( 0.03,  0.03,  0.01)
168:     strbnd  ( -0.651,  -1.825,  -2.101)  ( -0.651,  -1.825,  -2.101)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.322,  -0.173,   0.334)  (  1.322,  -0.173,   0.334)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.277,   1.563,  -4.719)  (  1.277,   1.563,  -4.719)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 30       (  0.503,   0.033,   0.106)  (  0.504,   0.034,   0.109)  ( 0.04,  0.00,  0.03)
168:     bond    (  0.388,  -0.566,  -1.877)  (  0.388,  -0.566,  -1.874)  ( 0.01,  0.02,  0.16)
168:     angle   ( -1.222,   1.435,  -0.686)  ( -1.222,   1.436,  -0.686)  ( 0.05,  0.04,  0.00)
168:     strbnd  ( -0.562,   0.515,   1.009)  ( -0.562,   0.515,   1.009)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.037,   0.246,  -0.289)  ( -1.037,   0.246,  -0.289)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.936,  -1.598,   1.950)  (  2.936,  -1.598,   1.950)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 31       (  0.438,   0.182,   0.134)  (  0.439,   0.183,   0.137)  ( 0.04,  0.02,  0.04)
168:     bond    ( -1.114,   1.979,   6.032)  ( -1.114,   1.980,   6.035)  ( 0.01,  0.02,  0.05)
168:     angle   ( -0.690,   1.900,  -0.751)  ( -0.689,   1.901,  -0.751)  ( 0.04,  0.03,  0.01)
168:     strbnd  (  0.022,  -0.078,  -2.039)  (  0.022,  -0.078,  -2.039)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.783,   1.067,  -0.206)  (  0.783,   1.067,  -0.206)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.437,  -4.688,  -2.903)  (  1.437,  -4.687,  -2.903)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 32       (  1.763,   0.235,  -0.010)  (  1.764,   0.236,  -0.007)  ( 0.05,  0.03,  0.00)
168:     bond    ( -0.495,   1.091,   2.241)  ( -0.495,   1.092,   2.244)  ( 0.01,  0.06,  0.12)
168:     angle   ( -0.145,   0.135,  -0.098)  ( -0.144,   0.135,  -0.098)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -0.003,  -0.325,  -0.202)  ( -0.003,  -0.325,  -0.202)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.861,   0.535,   0.150)  (  1.861,   0.535,   0.150)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.545,  -1.202,  -2.101)  (  0.545,  -1.202,  -2.101)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 33       (  0.648,   0.036,  -0.155)  (  0.650,   0.037,  -0.153)  ( 0.11,  0.00,  0.03)
168:     bond    (  2.130,  -0.511,   2.443)  (  2.132,  -0.511,   2.445)  ( 0.07,  0.00,  0.08)
168:     angle   (  2.580,  -0.905,  -2.439)  (  2.580,  -0.904,  -2.439)  ( 0.01,  0.05,  0.01)
168:     strbnd  ( -0.613,   0.221,  -1.607)  ( -0.613,   0.221,  -1.607)  ( 0.00,  0.00,  0.00)
168:     torsion ( -2.226,   0.124,   1.967)  ( -2.226,   0.125,   1.967)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.223,   1.107,  -0.518)  ( -1.223,   1.107,  -0.518)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 34       (  0.623,  -0.025,  -0.099)  (  0.624,  -0.024,  -0.096)  ( 0.07,  0.00,  0.02)
168:     bond    (  1.205,  -1.083,  -2.206)  (  1.205,  -1.082,  -2.204)  ( 0.05,  0.05,  0.10)
168:     angle   (  4.429,  -0.679,   2.755)  (  4.430,  -0.679,   2.755)  ( 0.01,  0.03,  0.01)
168:     strbnd  ( -0.025,   0.560,   1.229)  ( -0.025,   0.560,   1.229)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.189,  -0.747,  -0.284)  ( -1.189,  -0.747,  -0.284)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.797,   1.923,  -1.593)  ( -3.797,   1.923,  -1.593)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 35       (  0.727,   0.236,   0.113)  (  0.728,   0.237,   0.115)  ( 0.07,  0.02,  0.03)
168:     bond    ( -1.135,   1.111,   3.160)  ( -1.134,   1.111,   3.163)  ( 0.03,  0.03,  0.08)
168:     angle   (  2.191,   0.137,   0.737)  (  2.191,   0.138,   0.737)  ( 0.03,  0.01,  0.01)
168:     strbnd  (  1.028,  -1.182,  -0.643)  (  1.028,  -1.182,  -0.643)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.059,  -1.190,   0.439)  (  0.059,  -1.190,   0.439)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.416,   1.359,  -3.581)  ( -1.416,   1.359,  -3.581)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 36       (  0.488,   0.270,  -0.116)  (  0.489,   0.274,  -0.116)  ( 0.04,  0.09,  0.01)
168:     bond    (  0.456,  -2.299,   0.220)  (  0.456,  -2.296,   0.220)  ( 0.01,  0.14,  0.00)
168:     angle   (  2.467,   0.624,   1.393)  (  2.468,   0.624,   1.393)  ( 0.02,  0.00,  0.04)
168:     strbnd  (  0.024,   1.326,   0.945)  (  0.024,   1.326,   0.945)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.177,  -0.003,  -0.400)  (  0.177,  -0.003,  -0.399)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.636,   0.622,  -2.274)  ( -2.636,   0.622,  -2.274)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 37       (  0.151,   1.287,   0.431)  (  0.152,   1.288,   0.434)  ( 0.02,  0.05,  0.13)
168:     bond    (  1.073,  -0.388,  -2.975)  (  1.074,  -0.388,  -2.972)  ( 0.04,  0.00,  0.10)
168:     angle   ( -0.794,   2.840,  -0.658)  ( -0.793,   2.841,  -0.658)  ( 0.04,  0.02,  0.00)
168:     strbnd  ( -0.284,   0.981,   1.653)  ( -0.284,   0.981,   1.653)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.057,  -0.640,  -0.298)  ( -1.057,  -0.640,  -0.298)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.212,  -1.506,   2.709)  (  1.212,  -1.506,   2.709)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 38       (  0.339,   0.476,   1.257)  (  0.340,   0.479,   1.258)  ( 0.03,  0.15,  0.04)
168:     bond    ( -0.805,   4.071,   0.318)  ( -0.805,   4.074,   0.318)  ( 0.01,  0.08,  0.00)
168:     angle   (  5.353,   1.181,  -1.582)  (  5.354,   1.181,  -1.581)  ( 0.01,  0.00,  0.03)
168:     strbnd  (  0.930,  -1.391,  -0.658)  (  0.930,  -1.391,  -0.658)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.899,  -0.571,   2.506)  ( -1.899,  -0.571,   2.506)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.240,  -2.814,   0.673)  ( -3.240,  -2.814,   0.673)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 39       ( -0.459,   2.457,  -0.480)  ( -0.460,   2.464,  -0.456)  ( 0.02,  0.30,  1.11)
168:     bond    ( -0.322,   6.022,  -1.065)  ( -0.322,   6.026,  -1.065)  ( 0.00,  0.06,  0.01)
168:     angle   ( -3.546,  -0.243,  -0.303)  ( -3.546,  -0.243,  -0.303)  ( 0.02,  0.00,  0.00)
168:     strbnd  (  0.529,  -2.091,   0.417)  (  0.529,  -2.091,   0.417)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.017,   0.060,   0.336)  (  0.017,   0.060,   0.337)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.010,  -0.029,  -0.170)  (  0.009,  -0.026,  -0.147)  ( 0.00,  0.01,  0.39)
168:     vdw     (  2.635,  -1.088,   0.220)  (  2.635,  -1.088,   0.220)  ( 0.00,  0.00,  0.00)
168:     electro (  0.219,  -0.174,   0.085)  (  0.219,  -0.174,   0.085)  ( 0.00,  0.00,  0.00)
168: 40       (  0.840,  -0.019,  -0.312)  (  0.841,  -0.018,  -0.309)  ( 0.11,  0.00,  0.07)
168:     bond    ( -1.264,   0.699,  -1.919)  ( -1.263,   0.699,  -1.917)  ( 0.07,  0.02,  0.11)
168:     angle   (  0.476,   0.291,  -0.208)  (  0.477,   0.292,  -0.208)  ( 0.02,  0.02,  0.00)
168:     strbnd  (  0.323,   0.150,   1.507)  (  0.323,   0.150,   1.507)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.949,   0.716,  -0.364)  (  0.949,   0.716,  -0.364)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.355,  -1.875,   0.672)  (  0.355,  -1.875,   0.672)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 41       (  0.302,   0.253,  -0.644)  (  0.303,   0.254,  -0.641)  ( 0.04,  0.02,  0.15)
168:     bond    ( -1.052,   0.652,   1.694)  ( -1.051,   0.653,   1.696)  ( 0.08,  0.02,  0.13)
168:     angle   (  1.336,   3.153,  -0.385)  (  1.337,   3.153,  -0.384)  ( 0.03,  0.02,  0.01)
168:     strbnd  (  0.202,   0.175,  -1.360)  (  0.202,   0.175,  -1.360)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.348,  -0.299,  -0.101)  ( -0.348,  -0.299,  -0.101)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.164,  -3.428,  -0.491)  (  0.164,  -3.428,  -0.491)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 42       (  0.242,  -0.051,   0.087)  (  0.243,  -0.051,   0.090)  ( 0.02,  0.00,  0.03)
168:     bond    (  0.344,   0.091,  -1.789)  (  0.344,   0.091,  -1.786)  ( 0.00,  0.00,  0.18)
168:     angle   ( -2.274,   1.718,  -0.351)  ( -2.274,   1.718,  -0.351)  ( 0.02,  0.03,  0.00)
168:     strbnd  (  0.055,   0.966,   0.467)  (  0.055,   0.966,   0.467)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.347,   0.529,   0.094)  (  0.347,   0.529,   0.094)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.770,  -3.355,   1.666)  (  1.770,  -3.355,   1.666)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 43       (  0.647,   0.422,  -0.099)  (  0.648,   0.424,  -0.099)  ( 0.07,  0.12,  0.01)
168:     bond    ( -0.598,   1.361,   0.419)  ( -0.597,   1.363,   0.420)  ( 0.03,  0.19,  0.01)
168:     angle   (  0.254,   1.061,  -3.086)  (  0.255,   1.061,  -3.085)  ( 0.01,  0.01,  0.02)
168:     strbnd  (  0.585,   0.274,  -0.771)  (  0.585,   0.274,  -0.771)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.431,  -0.894,   2.291)  ( -0.431,  -0.894,   2.291)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.837,  -1.379,   1.046)  (  0.837,  -1.379,   1.046)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 44       ( -0.948,   0.980,   0.797)  ( -0.947,   0.982,   0.799)  ( 0.08,  0.11,  0.21)
168:     bond    ( -0.079,  -0.094,  -0.209)  ( -0.078,  -0.094,  -0.207)  ( 0.00,  0.00,  0.05)
168:     angle   ( -1.561,   3.754,  -1.115)  ( -1.561,   3.755,  -1.115)  ( 0.03,  0.01,  0.01)
168:     strbnd  ( -1.025,   0.299,   0.384)  ( -1.025,   0.299,   0.384)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.309,  -1.025,   0.349)  (  0.309,  -1.025,   0.349)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.408,  -1.954,   1.389)  (  1.408,  -1.954,   1.389)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 45       (  0.684,   0.907,   1.369)  (  0.687,   0.908,   1.370)  ( 0.16,  0.08,  0.09)
168:     bond    ( -1.901,   0.820,   1.194)  ( -1.899,   0.820,   1.195)  ( 0.11,  0.03,  0.07)
168:     angle   ( -0.217,  -0.147,  -0.244)  ( -0.216,  -0.146,  -0.243)  ( 0.00,  0.01,  0.01)
168:     strbnd  ( -0.303,  -0.559,  -1.117)  ( -0.303,  -0.559,  -1.117)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.043,   1.144,   0.873)  (  1.043,   1.144,   0.873)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.062,  -0.352,   0.663)  (  2.062,  -0.352,   0.663)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 46       (  0.367,  -0.348,   0.007)  (  0.368,  -0.346,   0.010)  ( 0.03,  0.04,  0.00)
168:     bond    ( -0.743,   1.942,   5.648)  ( -0.743,   1.943,   5.651)  ( 0.01,  0.02,  0.05)
168:     angle   ( -0.834,   2.429,  -0.945)  ( -0.833,   2.430,  -0.945)  ( 0.05,  0.03,  0.01)
168:     strbnd  ( -0.401,  -0.284,  -2.968)  ( -0.401,  -0.284,  -2.968)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.439,  -1.217,   0.361)  ( -0.439,  -1.217,   0.361)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.784,  -3.218,  -2.089)  (  2.784,  -3.218,  -2.089)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 47       (  0.015,  -0.265,   0.203)  (  0.016,  -0.264,   0.204)  ( 0.00,  0.04,  0.03)
168:     bond    (  0.405,  -0.387,  -0.424)  (  0.406,  -0.386,  -0.423)  ( 0.05,  0.04,  0.05)
168:     angle   ( -2.172,  -2.780,   0.450)  ( -2.171,  -2.779,   0.451)  ( 0.02,  0.01,  0.02)
168:     strbnd  ( -0.734,   0.044,   1.793)  ( -0.734,   0.044,   1.793)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.276,  -0.075,  -0.196)  ( -0.276,  -0.075,  -0.196)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.791,   2.933,  -1.421)  (  2.791,   2.933,  -1.421)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 48       ( -0.723,  -0.153,  -2.370)  ( -0.721,  -0.151,  -2.369)  ( 0.12,  0.03,  0.05)
168:     bond    ( -0.977,   1.037,   0.786)  ( -0.976,   1.038,   0.787)  ( 0.12,  0.13,  0.06)
168:     angle   ( -0.242,   0.074,  -0.397)  ( -0.241,   0.074,  -0.397)  ( 0.01,  0.00,  0.01)
168:     strbnd  (  0.015,  -0.149,  -2.101)  (  0.015,  -0.149,  -2.101)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.303,   0.391,  -0.890)  ( -0.303,   0.391,  -0.890)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.783,  -1.505,   0.233)  (  0.783,  -1.505,   0.233)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 49       (  0.608,  -1.419,  -1.523)  (  0.609,  -1.418,  -1.520)  ( 0.04,  0.06,  0.21)
168:     bond    ( -0.234,   0.800,  -3.501)  ( -0.234,   0.800,  -3.498)  ( 0.00,  0.01,  0.09)
168:     angle   ( -0.364,  -2.283,  -0.498)  ( -0.363,  -2.283,  -0.498)  ( 0.02,  0.02,  0.00)
168:     strbnd  ( -1.308,   0.802,   1.925)  ( -1.308,   0.802,   1.925)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.209,  -1.267,  -0.371)  (  1.209,  -1.267,  -0.371)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.305,   0.529,   0.922)  (  1.305,   0.529,   0.922)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 50       ( -1.926,  -0.688,  -1.325)  ( -1.925,  -0.687,  -1.323)  ( 0.05,  0.11,  0.15)
168:     bond    (  1.132,  -1.684,  -2.127)  (  1.132,  -1.683,  -2.125)  ( 0.04,  0.07,  0.08)
168:     angle   ( -0.386,   0.713,  -0.771)  ( -0.386,   0.714,  -0.771)  ( 0.02,  0.03,  0.02)
168:     strbnd  ( -0.234,  -0.477,   1.916)  ( -0.234,  -0.478,   1.916)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.839,   0.814,  -1.092)  ( -0.839,   0.814,  -1.092)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.600,  -0.054,   0.749)  ( -1.600,  -0.054,   0.749)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 51       (  0.141,  -0.997,  -1.237)  (  0.142,  -0.996,  -1.234)  ( 0.01,  0.10,  0.23)
168:     bond    ( -0.459,   0.602,  -1.366)  ( -0.459,   0.603,  -1.364)  ( 0.01,  0.03,  0.19)
168:     angle   ( -4.840,  -2.593,   0.483)  ( -4.839,  -2.592,   0.483)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( -0.066,  -0.914,  -1.669)  ( -0.066,  -0.914,  -1.669)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.609,  -0.569,  -0.456)  (  0.609,  -0.569,  -0.456)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.897,   2.477,   1.772)  (  4.897,   2.477,   1.772)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 52       ( -2.339,   0.741,   1.932)  ( -2.338,   0.742,   1.935)  ( 0.04,  0.05,  0.15)
168:     bond    ( -0.579,   0.431,  -1.609)  ( -0.579,   0.431,  -1.606)  ( 0.02,  0.01,  0.17)
168:     angle   ( -0.609,   2.084,   0.779)  ( -0.609,   2.085,   0.779)  ( 0.03,  0.02,  0.01)
168:     strbnd  (  0.098,   0.859,   1.399)  (  0.098,   0.859,   1.399)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.384,  -0.338,   0.048)  ( -0.384,  -0.338,   0.048)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.864,  -2.295,   1.315)  ( -0.864,  -2.295,   1.315)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 53       (  0.056,  -1.491,   2.539)  (  0.057,  -1.489,   2.541)  ( 0.01,  0.13,  0.06)
168:     bond    ( -1.594,   2.825,   2.595)  ( -1.593,   2.827,   2.597)  ( 0.03,  0.05,  0.05)
168:     angle   ( -1.514,  -2.295,   1.569)  ( -1.514,  -2.295,   1.569)  ( 0.03,  0.01,  0.02)
168:     strbnd  (  0.494,  -0.602,  -2.308)  (  0.494,  -0.602,  -2.308)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.240,  -0.042,   0.806)  (  1.240,  -0.042,   0.806)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.431,  -1.377,  -0.123)  (  1.431,  -1.377,  -0.123)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 54       ( -1.751,  -1.353,   0.152)  ( -1.750,  -1.352,   0.155)  ( 0.04,  0.06,  0.05)
168:     bond    ( -0.353,   0.090,   4.018)  ( -0.353,   0.090,   4.021)  ( 0.00,  0.00,  0.08)
168:     angle   ( -0.173,  -0.584,  -0.002)  ( -0.173,  -0.583,  -0.002)  ( 0.01,  0.04,  0.00)
168:     strbnd  (  0.100,  -0.938,  -1.958)  (  0.100,  -0.938,  -1.958)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.477,  -0.328,  -0.122)  ( -1.476,  -0.328,  -0.122)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.153,   0.407,  -1.784)  (  0.153,   0.407,  -1.784)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 55       ( -0.691,  -0.566,  -0.526)  ( -0.688,  -0.566,  -0.525)  ( 0.22,  0.04,  0.04)
168:     bond    ( -0.658,  -0.057,  -0.193)  ( -0.655,  -0.057,  -0.193)  ( 0.21,  0.00,  0.01)
168:     angle   (  0.205,  -4.548,   0.655)  (  0.205,  -4.547,   0.655)  ( 0.00,  0.01,  0.03)
168:     strbnd  ( -0.169,  -0.573,  -0.356)  ( -0.169,  -0.573,  -0.356)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.064,   0.110,  -0.250)  (  0.064,   0.110,  -0.250)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.132,   4.501,  -0.381)  ( -0.132,   4.502,  -0.381)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 56       ( -1.939,  -2.205,   0.809)  ( -1.938,  -2.204,   0.812)  ( 0.03,  0.03,  0.27)
168:     bond    ( -0.033,  -0.223,  -1.036)  ( -0.033,  -0.223,  -1.033)  ( 0.00,  0.00,  0.31)
168:     angle   (  0.267,  -3.200,   0.682)  (  0.267,  -3.200,   0.682)  ( 0.01,  0.02,  0.00)
168:     strbnd  (  0.445,  -0.392,   0.323)  (  0.445,  -0.392,   0.323)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.267,  -0.189,   0.049)  ( -0.267,  -0.189,   0.049)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.350,   1.799,   0.791)  ( -2.350,   1.799,   0.791)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 13.658,   0.216,   1.791)  ( 13.659,   0.216,   1.791)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 60       ( -8.554, -15.355,  43.314)  ( -8.551, -15.353,  43.328)  ( 0.03,  0.02,  0.03)
170:     bond    ( -0.868,   5.060,  34.888)  ( -0.869,   5.060,  34.902)  ( 0.01,  0.00,  0.04)
170:     angle   (-22.600,  -6.248,   0.343)  (-22.597,  -6.246,   0.343)  ( 0.01,  0.03,  0.00)
170:     torsion (  0.908, -12.282,   1.803)  (  0.908, -12.281,   1.803)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 14.006,  -1.886,   6.280)  ( 14.007,  -1.886,   6.280)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 61       (-51.991,   5.602,  -4.126)  (-51.979,   5.605,  -4.121)  ( 0.02,  0.06,  0.10)
170:     bond    (-42.778, -10.304, -17.569)  (-42.767, -10.304, -17.567)  ( 0.03,  0.00,  0.01)
170:     angle   ( -4.630, -20.181,  23.103)  ( -4.629, -20.179,  23.105)  ( 0.01,  0.01,  0.01)
170:     torsion ( -7.164,  17.092,   7.415)  ( -7.164,  17.092,   7.415)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.580,  18.995, -17.074)  (  2.580,  18.996, -17.074)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 62       (-21.495,  33.412, -10.092)  (-21.491,  33.426, -10.089)  ( 0.02,  0.04,  0.03)
170:     bond    (  3.985,  46.253,  -1.556)  (  3.985,  46.266,  -1.556)  ( 0.00,  0.03,  0.01)
170:     angle   ( 13.192,  -0.148,  29.385)  ( 13.194,  -0.148,  29.388)  ( 0.01,  0.00,  0.01)
170:     torsion ( 21.003,  -1.921,  -3.329)  ( 21.003,  -1.921,  -3.329)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-59.674, -10.772, -34.592)  (-59.672, -10.772, -34.591)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 63       ( 16.626, -30.317, -28.851)  ( 16.633, -30.313, -28.844)  ( 0.05,  0.01,  0.02)
170:     bond    ( 23.941, -13.747, -21.268)  ( 23.948, -13.745, -21.263)  ( 0.03,  0.01,  0.02)
170:     angle   (  6.188,  -6.431,  11.125)  (  6.189,  -6.429,  11.127)  ( 0.02,  0.03,  0.01)
170:     torsion (-12.366, -15.028,  -4.213)  (-12.366, -15.027,  -4.213)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.138,   4.889, -14.495)  ( -1.138,   4.889, -14.495)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 64       (-22.104, -23.871,  24.818)  (-22.091, -23.868,  24.822)  ( 0.06,  0.01,  0.02)
170:     bond    (-40.965,  -6.579,   9.892)  (-40.953,  -6.579,   9.892)  ( 0.03,  0.00,  0.01)
170:     angle   ( -5.448, -19.724, -35.671)  ( -5.448, -19.722, -35.669)  ( 0.00,  0.01,  0.01)
170:     torsion (  4.240, -15.032,   7.554)  (  4.240, -15.031,   7.554)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 20.069,  17.464,  43.044)  ( 20.070,  17.464,  43.045)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 65       ( 41.479,   2.856,  23.643)  ( 41.485,   2.861,  23.652)  ( 0.01,  0.17,  0.04)
170:     bond    ( 23.063, -17.194,  32.166)  ( 23.067, -17.192,  32.174)  ( 0.02,  0.01,  0.02)
170:     angle   ( 22.666, -18.218, -25.987)  ( 22.668, -18.216, -25.986)  ( 0.01,  0.01,  0.00)
170:     torsion ( 12.123,  12.492,  -2.017)  ( 12.123,  12.492,  -2.017)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-16.374,  25.776,  19.481)  (-16.373,  25.777,  19.481)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 66       (-25.698,  36.326,  -3.779)  (-25.695,  36.340,  -3.776)  ( 0.01,  0.04,  0.08)
170:     bond    (  6.331,  45.473,   1.240)  (  6.331,  45.487,   1.240)  ( 0.00,  0.03,  0.02)
170:     angle   ( 15.181,  -1.371, -27.218)  ( 15.183,  -1.371, -27.215)  ( 0.01,  0.00,  0.01)
170:     torsion (-14.786,   2.193,  -4.961)  (-14.786,   2.193,  -4.961)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-32.424,  -9.969,  27.160)  (-32.423,  -9.968,  27.160)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 67       (  4.802,  42.782, -15.312)  (  4.806,  42.796, -15.309)  ( 0.08,  0.03,  0.02)
170:     bond    ( -3.755,  36.643,  -1.571)  ( -3.755,  36.657,  -1.571)  ( 0.00,  0.04,  0.01)
170:     angle   (  5.815,   1.377,  18.212)  (  5.818,   1.377,  18.214)  ( 0.05,  0.00,  0.01)
170:     torsion (  4.474,  -0.552, -23.574)  (  4.474,  -0.552, -23.573)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.731,   5.314,  -8.379)  ( -1.731,   5.314,  -8.379)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 68       ( 18.600, -41.214, -25.758)  ( 18.605, -41.210, -25.746)  ( 0.03,  0.01,  0.05)
170:     bond    (  9.516,  -9.512, -29.381)  (  9.517,  -9.511, -29.370)  ( 0.01,  0.01,  0.04)
170:     angle   ( 10.913,  -9.288,   6.544)  ( 10.916,  -9.286,   6.544)  ( 0.03,  0.02,  0.01)
170:     torsion (  3.658, -33.517,  12.039)  (  3.658, -33.516,  12.039)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -5.487,  11.103, -14.960)  ( -5.487,  11.103, -14.960)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 69       ( 24.242,  10.836,  42.437)  ( 24.248,  10.842,  42.448)  ( 0.02,  0.06,  0.02)
170:     bond    (-19.615,  22.847,  35.171)  (-19.613,  22.851,  35.179)  ( 0.01,  0.01,  0.02)
170:     angle   (  7.226, -17.693,  15.520)  (  7.229, -17.691,  15.521)  ( 0.03,  0.01,  0.01)
170:     torsion ( 38.219, -14.554,  30.761)  ( 38.219, -14.554,  30.762)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.588,  20.236, -39.015)  ( -1.586,  20.237, -39.014)  ( 0.07,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 70       (-41.118,  22.843, -11.862)  (-41.111,  22.847, -11.852)  ( 0.02,  0.02,  0.08)
170:     bond    (-18.980,   5.841, -25.923)  (-18.975,   5.841, -25.914)  ( 0.02,  0.01,  0.03)
170:     angle   (  2.186, -11.955,  -4.297)  (  2.188, -11.952,  -4.296)  ( 0.08,  0.02,  0.02)
170:     torsion (-23.335,  16.633,  20.836)  (-23.334,  16.633,  20.836)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.990,  12.324,  -2.478)  ( -0.989,  12.325,  -2.478)  ( 0.05,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 71       (-22.526, -19.580,  14.759)  (-22.514, -19.576,  14.763)  ( 0.05,  0.02,  0.03)
170:     bond    (-32.343, -13.094,  11.917)  (-32.332, -13.092,  11.919)  ( 0.03,  0.01,  0.01)
170:     angle   ( -3.695, -21.026, -33.117)  ( -3.694, -21.024, -33.115)  ( 0.01,  0.01,  0.01)
170:     torsion (  2.069,  -3.141,   2.162)  (  2.069,  -3.141,   2.162)  ( 0.01,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 11.442,  17.681,  33.797)  ( 11.443,  17.681,  33.797)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 72       ( 28.513,  -2.885,  23.663)  ( 28.521,  -2.883,  23.672)  ( 0.03,  0.10,  0.04)
170:     bond    ( 26.477,  -7.603,  29.522)  ( 26.483,  -7.603,  29.530)  ( 0.02,  0.00,  0.02)
170:     angle   ( 23.889,  -8.494, -23.613)  ( 23.890,  -8.492, -23.612)  ( 0.01,  0.02,  0.00)
170:     torsion (  3.479,   5.766,  -1.636)  (  3.479,   5.767,  -1.636)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-25.332,   7.445,  19.389)  (-25.331,   7.445,  19.390)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 73       (-17.606,  34.717,  -4.281)  (-17.603,  34.731,  -4.278)  ( 0.02,  0.04,  0.08)
170:     bond    ( -4.935,  45.959,  -3.462)  ( -4.935,  45.973,  -3.463)  ( 0.00,  0.03,  0.00)
170:     angle   ( 15.380,  -0.530, -28.957)  ( 15.382,  -0.530, -28.955)  ( 0.01,  0.00,  0.01)
170:     torsion ( -3.445,  -0.437,  -0.896)  ( -3.445,  -0.437,  -0.896)  ( 0.02,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-24.606, -10.275,  29.035)  (-24.605, -10.275,  29.036)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 74       (-49.166, -29.527, -81.473)  (-49.157, -29.524, -81.458)  ( 0.02,  0.01,  0.02)
170:     bond    (-44.679, -30.815, -66.485)  (-44.673, -30.812, -66.471)  ( 0.01,  0.01,  0.02)
170:     angle   ( 32.405,  13.263, -27.929)  ( 32.406,  13.263, -27.927)  ( 0.01,  0.00,  0.01)
170:     torsion (  0.186,  -0.363,   0.043)  (  0.186,  -0.363,   0.043)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-37.078, -11.611,  12.897)  (-37.076, -11.611,  12.897)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 22 # gradients 
170: ok 23 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (471.070, -527.809, 235.674)  (471.068, -527.650, 235.807)  ( 0.00,  0.03,  0.06)
170:     bond    (282.282, -338.460, 183.324)  (282.308, -338.434, 183.329)  ( 0.01,  0.01,  0.00)
170:     angle   (223.482, -162.837,  60.542)  (223.499, -162.822,  60.544)  ( 0.01,  0.01,  0.00)
170:     torsion (  6.514,  -3.017,  -7.176)  (  6.516,  -3.014,  -7.160)  ( 0.02,  0.07,  0.23)
170:     oop     (  0.299,  -0.686,  -0.777)  (  0.251,  -0.571,  -0.667)  ( 1.43,  7.90,  8.55)
170:     vdw     (-41.507, -22.810,  -0.239)  (-41.506, -22.810,  -0.239)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (-37.678, 495.727, -93.390)  (-37.527, 495.643, -93.793)  ( 0.40,  0.02,  0.43)
170:     bond    (181.430, 258.233, -39.725)  (181.458, 258.263, -39.721)  ( 0.02,  0.01,  0.01)
170:     angle   (-176.405, 185.504, -106.176)  (-176.388, 185.515, -106.173)  ( 0.01,  0.01,  0.00)
170:     torsion (-15.467,  17.518,  74.486)  (-15.466,  17.520,  74.506)  ( 0.01,  0.01,  0.03)
170:     oop     ( -0.647,   0.819,   2.707)  ( -0.545,   0.691,   2.277)  ( 6.61, 10.54, 15.86)
170:     vdw     (-26.588,  33.653, -24.682)  (-26.586,  33.653, -24.682)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (-70.571, 413.449,  -6.654)  (-70.580, 413.518,  -6.036)  ( 0.01,  0.02,  9.28)
170:     bond    ( 24.585,  49.198,   0.771)  ( 24.613,  49.244,   0.772)  ( 0.12,  0.09,  0.05)
170:     angle   (-71.834, 356.155, -23.113)  (-71.810, 356.171, -23.113)  ( 0.03,  0.00,  0.00)
170:     torsion ( -9.725,  14.444,  21.224)  ( -9.725,  14.444,  21.230)  ( 0.00,  0.00,  0.03)
170:     oop     (  0.353,  -0.045,  -3.367)  (  0.290,  -0.039,  -2.757)  ( 2.19,  0.03, 18.12)
170:     vdw     (-13.950,  -6.302,  -2.168)  (-13.949,  -6.301,  -2.168)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       ( 67.296, 345.733, -116.832)  ( 67.465, 345.534, -117.404)  ( 0.25,  0.06,  0.49)
170:     bond    ( 20.962, 334.056, -140.328)  ( 20.991, 334.095, -140.317)  ( 0.14,  0.01,  0.01)
170:     angle   ( 51.638,  24.695,  -7.235)  ( 51.658,  24.709,  -7.233)  ( 0.04,  0.06,  0.04)
170:     torsion ( -1.442,  10.041,  17.530)  ( -1.441,  10.045,  17.545)  ( 0.04,  0.04,  0.09)
170:     oop     ( -0.714,   1.530,   3.590)  ( -0.594,   1.273,   2.990)  ( 8.56, 16.80, 16.72)
170:     vdw     ( -3.149, -24.589,   9.611)  ( -3.149, -24.588,   9.611)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-63.482,  -7.984, -114.601)  (-63.515,  -7.856, -114.371)  ( 0.05,  1.60,  0.20)
170:     bond    (  1.526,  54.724, -23.955)  (  1.527,  54.752, -23.950)  ( 0.02,  0.05,  0.02)
170:     angle   (-57.069,  -2.678,  -9.760)  (-57.061,  -2.678,  -9.760)  ( 0.02,  0.00,  0.00)
170:     torsion ( 17.384, -39.452, -89.086)  ( 17.384, -39.451, -89.083)  ( 0.00,  0.00,  0.00)
170:     oop     (  0.236,  -0.536,  -1.211)  (  0.194,  -0.438,  -0.990)  ( 1.02,  5.24, 18.26)
170:     vdw     (-25.559, -20.041,   9.411)  (-25.558, -20.041,   9.411)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (-324.748, -239.216,  64.079)  (-324.734, -239.089,  64.310)  ( 0.00,  0.05,  0.36)
170:     bond    (-298.909, -143.325,   5.907)  (-298.880, -143.297,   5.912)  ( 0.01,  0.02,  0.09)
170:     angle   (-31.422, -42.662,  11.915)  (-31.404, -42.647,  11.917)  ( 0.06,  0.03,  0.02)
170:     torsion ( -4.860,  10.627,  20.995)  ( -4.860,  10.630,  21.019)  ( 0.01,  0.02,  0.12)
170:     oop     (  0.233,  -0.526,  -1.282)  (  0.197,  -0.445,  -1.083)  ( 0.83,  4.26, 15.52)
170:     vdw     ( 10.211, -63.330,  26.545)  ( 10.214, -63.330,  26.545)  ( 0.03,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (-237.204, 105.160,  -7.206)  (-237.068, 105.024,  -7.751)  ( 0.06,  0.13,  7.56)
170:     bond    (-276.789, 151.802, -85.378)  (-276.753, 151.831, -85.372)  ( 0.01,  0.02,  0.01)
170:     angle   ( 62.975, -107.332,  44.691)  ( 62.994, -107.313,  44.693)  ( 0.03,  0.02,  0.00)
170:     torsion ( -8.959,   9.460,  46.715)  ( -8.959,   9.463,  46.741)  ( 0.00,  0.03,  0.06)
170:     oop     ( -0.441,   0.992,   3.150)  ( -0.362,   0.805,   2.572)  ( 3.48, 18.47, 18.37)
170:     vdw     (-13.990,  50.238, -16.384)  (-13.988,  50.238, -16.384)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       ( 12.867,  56.253,  18.035)  ( 12.903,  56.306,  18.097)  ( 0.28,  0.09,  0.34)
170:     bond    (-13.555,  39.305, -14.952)  (-13.526,  39.328, -14.949)  ( 0.21,  0.06,  0.02)
170:     angle   (  3.621,  68.824, -22.507)  (  3.631,  68.838, -22.505)  ( 0.29,  0.02,  0.01)
170:     torsion ( -4.379,  10.462,  32.449)  ( -4.379,  10.465,  32.470)  ( 0.01,  0.02,  0.06)
170:     oop     (  0.027,  -0.075,  -0.222)  (  0.023,  -0.063,  -0.185)  ( 0.01,  0.09,  0.80)
170:     vdw     ( 27.152, -62.265,  23.266)  ( 27.153, -62.263,  23.266)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (193.905, -249.150, 113.403)  (193.722, -248.655, 114.753)  ( 0.09,  0.20,  1.19)
170:     bond    (187.582, -203.883,  60.781)  (187.623, -203.848,  60.788)  ( 0.02,  0.02,  0.01)
170:     angle   (-37.635, -20.082, 257.774)  (-37.622, -20.065, 257.781)  ( 0.04,  0.08,  0.00)
170:     torsion ( 45.057, -48.667, -185.202)  ( 45.058, -48.665, -185.184)  ( 0.00,  0.00,  0.01)
170:     oop     (  1.431,  -2.502,  -7.557)  (  1.193,  -2.061,  -6.238)  (16.62, 17.62, 17.45)
170:     vdw     ( -2.531,  25.983, -12.393)  ( -2.531,  25.984, -12.393)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       ( 13.498,  89.796, -22.035)  ( 13.513,  89.914, -21.812)  ( 0.11,  0.13,  1.01)
170:     bond    ( 14.795, -92.389,  33.934)  ( 14.825, -92.367,  33.938)  ( 0.20,  0.02,  0.01)
170:     angle   ( -4.599, 137.077, -47.403)  ( -4.589, 137.093, -47.401)  ( 0.21,  0.01,  0.00)
170:     torsion ( -2.797,   6.187,  23.576)  ( -2.796,   6.190,  23.595)  ( 0.01,  0.05,  0.08)
170:     oop     (  0.141,  -0.424,  -1.088)  (  0.116,  -0.349,  -0.891)  ( 0.36,  3.18, 18.10)
170:     vdw     (  5.957,  39.344, -31.053)  (  5.958,  39.346, -31.053)  ( 0.02,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (-264.108, -25.417, -102.288)  (-263.234, -26.150, -98.666)  ( 0.33,  2.89,  3.54)
170:     bond    (-109.904, -40.910,  -2.486)  (-109.872, -40.882,  -2.482)  ( 0.03,  0.07,  0.17)
170:     angle   (-195.311,   7.602, -92.894)  (-195.293,   7.618, -92.891)  ( 0.01,  0.22,  0.00)
170:     torsion (  9.228, -10.620,  14.738)  (  9.228, -10.617,  14.754)  ( 0.01,  0.02,  0.11)
170:     oop     ( -2.539,   2.424, -11.214)  ( -1.716,   1.642,  -7.615)  (32.39, 32.27, 32.09)
170:     vdw     ( 34.418,  16.088, -10.432)  ( 34.419,  16.089, -10.432)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (-10.655,  -5.268,  33.617)  (-10.638,  -5.289,  33.534)  ( 0.16,  0.39,  0.25)
170:     bond    ( -0.711, -13.338,   5.041)  ( -0.711, -13.325,   5.043)  ( 0.01,  0.10,  0.04)
170:     angle   (-13.750,   0.175,  -1.474)  (-13.746,   0.175,  -1.474)  ( 0.03,  0.00,  0.01)
170:     torsion ( -5.404,  15.649,  40.584)  ( -5.404,  15.650,  40.588)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.079,   0.232,   0.602)  ( -0.067,   0.198,   0.513)  ( 0.09,  0.80,  5.37)
170:     vdw     (  9.289,  -7.986, -11.136)  (  9.290,  -7.986, -11.136)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       ( 66.427, -38.297,  22.022)  ( 66.501, -38.326,  21.831)  ( 0.11,  0.08,  0.86)
170:     bond    (-74.778, 101.329, -42.944)  (-74.750, 101.356, -42.940)  ( 0.04,  0.03,  0.01)
170:     angle   (122.829, -85.985,  43.246)  (122.846, -85.974,  43.248)  ( 0.01,  0.01,  0.00)
170:     torsion ( -0.391,  -1.784,  -5.935)  ( -0.390,  -1.782,  -5.918)  ( 0.01,  0.11,  0.29)
170:     oop     ( -0.156,   0.401,   1.216)  ( -0.129,   0.331,   1.004)  ( 0.42,  2.81, 17.45)
170:     vdw     ( 18.922, -52.258,  26.438)  ( 18.925, -52.258,  26.438)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       (  3.198,   9.195,  -4.323)  (  3.204,   9.206,  -4.326)  ( 0.19,  0.12,  0.07)
170:     bond    (  0.210,  14.965,  -4.957)  (  0.211,  14.979,  -4.956)  ( 0.00,  0.09,  0.03)
170:     angle   (-14.465,  -0.365,  -1.719)  (-14.461,  -0.365,  -1.719)  ( 0.03,  0.00,  0.00)
170:     torsion (  0.130,  -0.332,  -1.002)  (  0.130,  -0.332,  -0.997)  ( 0.00,  0.02,  0.45)
170:     oop     ( -0.007,   0.018,   0.053)  ( -0.006,   0.015,   0.044)  ( 0.00,  0.01,  0.05)
170:     vdw     ( 17.329,  -5.091,   3.301)  ( 17.330,  -5.090,   3.301)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       ( 17.048, -54.468,  19.577)  ( 17.058, -54.447,  19.617)  ( 0.06,  0.04,  0.21)
170:     bond    ( 38.909, -24.186,  13.345)  ( 38.921, -24.181,  13.346)  ( 0.03,  0.02,  0.01)
170:     angle   ( 26.991,  38.282,  -9.354)  ( 26.993,  38.285,  -9.354)  ( 0.01,  0.01,  0.00)
170:     torsion (  1.051,  -2.570,  -7.725)  (  1.051,  -2.570,  -7.722)  ( 0.01,  0.01,  0.04)
170:     oop     (  0.031,  -0.077,  -0.230)  (  0.026,  -0.065,  -0.195)  ( 0.02,  0.09,  0.82)
170:     vdw     (-49.934, -65.917,  23.541)  (-49.933, -65.916,  23.542)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       (278.663,   5.967, 262.660)  (278.204,   9.369, 253.668)  ( 0.16, 57.02,  3.42)
170:     bond    (180.951,  70.243, 137.128)  (180.987,  70.270, 137.138)  ( 0.02,  0.04,  0.01)
170:     angle   ( 82.812, -42.011, 198.186)  ( 82.825, -41.995, 198.196)  ( 0.02,  0.04,  0.01)
170:     torsion ( 18.286,  -3.713, -101.874)  ( 18.286,  -3.712, -101.868)  ( 0.00,  0.03,  0.01)
170:     oop     (  1.318, -11.030,  27.670)  (  0.809,  -7.673,  18.651)  (38.58, 30.44, 32.59)
170:     vdw     ( -4.704,  -7.522,   1.551)  ( -4.704,  -7.521,   1.551)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       ( 84.082, -105.411, -282.117)  ( 84.177, -105.539, -282.518)  ( 0.11,  0.12,  0.14)
170:     bond    (-11.281, -124.452,  87.022)  (-11.271, -124.418,  87.044)  ( 0.08,  0.03,  0.02)
170:     angle   (160.110,   8.205, -361.401)  (160.118,   8.215, -361.388)  ( 0.00,  0.11,  0.00)
170:     torsion (-43.213, -25.781,   2.923)  (-43.215, -25.781,   2.925)  ( 0.01,  0.00,  0.06)
170:     oop     ( -0.470,   0.957,   2.442)  ( -0.392,   0.785,   2.004)  ( 3.68, 16.40, 17.91)
170:     vdw     (-21.064,  35.661, -13.103)  (-21.063,  35.661, -13.103)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       (-42.175, -64.158,  24.966)  (-42.160, -64.153,  24.962)  ( 0.04,  0.01,  0.02)
170:     bond    ( 13.563,  -8.815,   6.597)  ( 13.572,  -8.811,   6.599)  ( 0.07,  0.04,  0.03)
170:     angle   (-45.163, -62.520,   9.406)  (-45.161, -62.517,   9.406)  ( 0.00,  0.00,  0.00)
170:     torsion ( -4.924,   6.352,  18.603)  ( -4.924,   6.352,  18.606)  ( 0.01,  0.01,  0.02)
170:     oop     ( -0.021,   0.027,   0.078)  ( -0.018,   0.023,   0.068)  ( 0.01,  0.01,  0.08)
170:     vdw     ( -5.630,   0.799,  -9.718)  ( -5.629,   0.800,  -9.718)  ( 0.02,  0.10,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       ( 67.449, -41.898, -169.761)  ( 67.635, -43.654, -167.348)  ( 0.28,  4.19,  1.42)
170:     bond    ( 97.077, -132.695, -184.757)  ( 97.096, -132.670, -184.735)  ( 0.02,  0.02,  0.01)
170:     angle   ( 16.888,  31.742,  -3.539)  ( 16.903,  31.755,  -3.528)  ( 0.09,  0.04,  0.33)
170:     torsion (-24.977,  16.521,  -6.853)  (-24.976,  16.522,  -6.851)  ( 0.01,  0.01,  0.03)
170:     oop     ( -0.353,   5.757,  -7.625)  ( -0.205,   3.961,  -5.249)  ( 5.25, 31.20, 31.17)
170:     vdw     (-21.185,  36.777,  33.015)  (-21.184,  36.777,  33.015)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       (-42.589, 167.344, -55.096)  (-43.025, 166.640, -51.907)  ( 1.02,  0.42,  5.79)
170:     bond    (-111.773, 201.469, -32.121)  (-111.748, 201.491, -32.102)  ( 0.02,  0.01,  0.06)
170:     angle   (  5.513, -26.008, -36.202)  (  5.527, -25.993, -36.190)  ( 0.24,  0.06,  0.03)
170:     torsion ( -0.714,  -9.763,  60.169)  ( -0.713,  -9.761,  60.171)  ( 0.06,  0.02,  0.00)
170:     oop     (  1.667,   2.637,  -9.518)  (  1.190,   1.892,  -6.363)  (28.60, 28.23, 33.15)
170:     vdw     ( 62.718,  -0.991, -37.423)  ( 62.719,  -0.989, -37.423)  ( 0.00,  0.21,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       (-33.512,  23.063,  -3.966)  (-33.501,  23.071,  -3.963)  ( 0.03,  0.03,  0.09)
170:     bond    (-31.077,  20.848,  -2.732)  (-31.067,  20.852,  -2.732)  ( 0.03,  0.02,  0.00)
170:     angle   (-15.774, -26.485, -22.772)  (-15.773, -26.483, -22.770)  ( 0.01,  0.01,  0.01)
170:     torsion (  2.488,   4.108,   3.058)  (  2.488,   4.108,   3.058)  ( 0.00,  0.00,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 10.851,  24.593,  18.480)  ( 10.851,  24.594,  18.480)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       ( 10.571, -19.110,  36.550)  ( 10.574, -19.105,  36.563)  ( 0.03,  0.03,  0.04)
170:     bond    (  2.555,  -9.282,  29.641)  (  2.555,  -9.281,  29.653)  ( 0.00,  0.01,  0.04)
170:     angle   (  9.571,  -6.146,  -2.748)  (  9.573,  -6.143,  -2.747)  ( 0.03,  0.06,  0.01)
170:     torsion (  3.442, -10.375,  -3.544)  (  3.442, -10.375,  -3.544)  ( 0.02,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -4.997,   6.693,  13.201)  ( -4.997,   6.693,  13.201)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       ( 19.423,   7.923,   3.579)  ( 19.832,   8.669,  -1.831)  ( 2.10,  9.42, 151.16)
170:     bond    ( 17.215, -149.752,  27.789)  ( 17.241, -149.732,  27.807)  ( 0.15,  0.01,  0.07)
170:     angle   (  7.197,  94.829, -53.684)  (  7.210,  94.843, -53.673)  ( 0.18,  0.02,  0.02)
170:     torsion (  1.418,   9.176,   1.378)  (  1.419,   9.178,   1.380)  ( 0.04,  0.01,  0.12)
170:     oop     ( -0.780,  -1.502,  11.549)  ( -0.412,  -0.793,   6.107)  (28.72, 47.20, 47.12)
170:     vdw     ( -5.626,  55.172,  16.547)  ( -5.626,  55.173,  16.548)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       (  1.060, -29.258, -33.345)  (  1.064, -29.248, -33.337)  ( 0.43,  0.03,  0.02)
170:     bond    ( -0.887, -26.615, -23.717)  ( -0.888, -26.607, -23.711)  ( 0.01,  0.03,  0.03)
170:     angle   (-18.258,  -0.087,   0.779)  (-18.254,  -0.086,   0.780)  ( 0.02,  0.01,  0.11)
170:     torsion (  5.322,  -1.135,   1.073)  (  5.323,  -1.134,   1.074)  ( 0.01,  0.03,  0.04)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 14.883,  -1.420, -11.480)  ( 14.883,  -1.420, -11.480)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       ( 13.145,  18.444,  16.037)  ( 11.955,  21.723,  11.825)  ( 9.06, 17.78, 26.26)
170:     bond    (-94.231,  40.802, 117.863)  (-94.212,  40.826, 117.885)  ( 0.02,  0.06,  0.02)
170:     angle   ( 50.490,  12.886, -87.023)  ( 50.504,  12.899, -87.011)  ( 0.03,  0.10,  0.01)
170:     torsion (  8.637,  -1.660,  -3.054)  (  8.638,  -1.660,  -3.052)  ( 0.01,  0.05,  0.05)
170:     oop     (  2.615,  -6.878,   9.013)  (  1.389,  -3.638,   4.766)  (46.87, 47.11, 47.12)
170:     vdw     ( 45.634, -26.705, -20.762)  ( 45.635, -26.705, -20.762)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 26       ( 13.802,   5.192,  43.786)  ( 13.807,   5.198,  43.798)  ( 0.04,  0.10,  0.03)
170:     bond    (  5.791, -12.703,  30.382)  (  5.791, -12.701,  30.394)  ( 0.00,  0.01,  0.04)
170:     angle   (-16.364,   4.009,   4.793)  (-16.360,   4.012,   4.793)  ( 0.02,  0.05,  0.01)
170:     torsion ( -7.294,   3.616,   2.901)  ( -7.294,   3.617,   2.901)  ( 0.00,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 31.670,  10.269,   5.710)  ( 31.670,  10.270,   5.710)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       (-226.813, -179.102,  52.340)  (-221.922, -183.663,  68.873)  ( 2.16,  2.55, 31.59)
170:     bond    (-177.616, -107.417, -25.193)  (-177.588, -107.390, -25.182)  ( 0.02,  0.03,  0.04)
170:     angle   (-45.676, -83.275, 105.305)  (-45.666, -83.266, 105.315)  ( 0.02,  0.01,  0.01)
170:     torsion ( -6.273,  -6.860,   7.241)  ( -6.273,  -6.860,   7.242)  ( 0.01,  0.01,  0.02)
170:     oop     (-10.324,   9.769, -35.043)  ( -5.472,   5.171, -18.531)  (47.00, 47.06, 47.12)
170:     vdw     ( 13.077,   8.681,   0.030)  ( 13.077,   8.682,   0.030)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 28       (-14.391,   7.028, -45.466)  (-14.387,   7.032, -45.454)  ( 0.03,  0.07,  0.03)
170:     bond    ( -5.154,  13.357, -29.996)  ( -5.153,  13.359, -29.984)  ( 0.00,  0.02,  0.04)
170:     angle   ( -2.656,  -8.614,  -3.382)  ( -2.652,  -8.612,  -3.381)  ( 0.15,  0.02,  0.02)
170:     torsion (  3.759, -15.013,  -7.335)  (  3.759, -15.012,  -7.334)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.341,  17.298,  -4.754)  (-10.340,  17.298,  -4.754)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 29       ( -5.253,  36.842,  25.540)  ( -5.248,  36.851,  25.547)  ( 0.08,  0.03,  0.03)
170:     bond    (  2.097,  29.406,  25.397)  (  2.096,  29.414,  25.403)  ( 0.01,  0.03,  0.02)
170:     angle   ( -4.491,  -4.048,   5.055)  ( -4.486,  -4.047,   5.056)  ( 0.09,  0.03,  0.03)
170:     torsion ( -3.188,   5.779,  -6.429)  ( -3.188,   5.779,  -6.429)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.330,   5.705,   1.517)  (  0.330,   5.705,   1.517)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 30       ( 35.113, -27.798,  -3.420)  ( 35.124, -27.791,  -3.417)  ( 0.03,  0.02,  0.09)
170:     bond    ( 33.176, -19.737,   2.161)  ( 33.186, -19.733,   2.160)  ( 0.03,  0.02,  0.01)
170:     angle   ( -3.776,  -5.907,   4.053)  ( -3.775,  -5.904,   4.056)  ( 0.02,  0.05,  0.07)
170:     torsion (  0.494,   0.030,  -7.310)  (  0.494,   0.030,  -7.309)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  5.219,  -2.184,  -2.324)  (  5.219,  -2.184,  -2.324)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 31       (-17.885,  11.410, -42.928)  (-17.882,  11.416, -42.915)  ( 0.02,  0.05,  0.03)
170:     bond    ( -3.438,   9.943, -31.450)  ( -3.438,   9.945, -31.438)  ( 0.00,  0.01,  0.04)
170:     angle   (-10.542,   1.949,   1.770)  (-10.540,   1.953,   1.770)  ( 0.02,  0.18,  0.02)
170:     torsion (-10.875,   9.024,   4.044)  (-10.875,   9.025,   4.044)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  6.970,  -9.506, -17.292)  (  6.970,  -9.506, -17.291)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 32       ( 95.444,  75.761, -29.268)  ( 91.463,  76.420, -36.087)  ( 4.17,  0.87, 23.30)
170:     bond    ( 79.454,  68.430, -40.021)  ( 79.465,  68.438, -40.019)  ( 0.01,  0.01,  0.01)
170:     angle   (-13.089,   3.160, -20.582)  (-13.088,   3.162, -20.580)  ( 0.01,  0.08,  0.01)
170:     torsion (  5.630,  -0.653,  10.064)  (  5.630,  -0.653,  10.064)  ( 0.00,  0.01,  0.00)
170:     oop     (  8.489,  -1.389,  14.481)  (  4.494,  -0.740,   7.658)  (47.06, 46.69, 47.11)
170:     vdw     ( 14.961,   6.212,   6.789)  ( 14.961,   6.213,   6.789)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 33       (189.454, -110.770,  76.092)  (189.503, -110.748,  75.776)  ( 0.03,  0.02,  0.42)
170:     bond    ( -2.952, -17.848,   0.346)  ( -2.951, -17.815,   0.346)  ( 0.03,  0.18,  0.00)
170:     angle   (134.063, -21.890,  16.377)  (134.071, -21.890,  16.377)  ( 0.01,  0.00,  0.00)
170:     torsion ( -5.870,   1.961,  50.922)  ( -5.870,   1.961,  50.924)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.172,   0.057,   1.440)  ( -0.135,   0.044,   1.123)  ( 0.65,  0.07, 21.99)
170:     vdw     ( 64.385, -73.050,   7.007)  ( 64.387, -73.048,   7.006)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 34       (-114.085, -436.257,  -8.826)  (-114.031, -436.226,  -8.959)  ( 0.05,  0.01,  1.51)
170:     bond    (-43.893, -58.475,  -1.380)  (-43.862, -58.455,  -1.379)  ( 0.07,  0.03,  0.06)
170:     angle   (-17.582, -340.487,  16.912)  (-17.577, -340.471,  16.914)  ( 0.03,  0.00,  0.01)
170:     torsion (  3.958,  -1.494, -32.890)  (  3.958,  -1.494, -32.888)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.137,   0.049,   1.124)  ( -0.120,   0.043,   0.986)  ( 0.23,  0.03, 12.29)
170:     vdw     (-56.431, -35.849,   7.408)  (-56.430, -35.849,   7.408)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 35       (-145.580, 277.134, -34.469)  (-145.559, 277.149, -34.468)  ( 0.01,  0.01,  0.00)
170:     bond    ( 58.595,  46.521,   3.695)  ( 58.611,  46.531,   3.696)  ( 0.03,  0.02,  0.01)
170:     angle   (-126.434, 161.100, -23.313)  (-126.430, 161.103, -23.313)  ( 0.00,  0.00,  0.00)
170:     torsion (  0.371,  -0.199,  -3.388)  (  0.371,  -0.199,  -3.387)  ( 0.00,  0.00,  0.03)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-78.112,  69.712, -11.463)  (-78.110,  69.713, -11.464)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 36       (-187.163, -27.561,  60.499)  (-187.130, -27.545,  60.523)  ( 0.02,  0.06,  0.04)
170:     bond    ( 15.389, -25.488, -12.365)  ( 15.417, -25.476, -12.350)  ( 0.18,  0.05,  0.12)
170:     angle   (-175.348, -38.674,  66.261)  (-175.342, -38.668,  66.270)  ( 0.00,  0.01,  0.01)
170:     torsion (-31.171,  14.161,   5.951)  (-31.172,  14.159,   5.949)  ( 0.00,  0.02,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  3.967,  22.439,   0.652)  (  3.967,  22.440,   0.652)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 37       (133.139,  15.824, 156.200)  (133.159,  15.846, 156.232)  ( 0.02,  0.13,  0.02)
170:     bond    (  1.917, -24.367, -14.029)  (  1.935, -24.350, -14.008)  ( 0.91,  0.07,  0.15)
170:     angle   (106.617,   4.098, 150.618)  (106.621,   4.105, 150.629)  ( 0.00,  0.15,  0.01)
170:     torsion ( 35.985,  22.581,  18.000)  ( 35.983,  22.579,  17.999)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-11.380,  13.512,   1.610)  (-11.380,  13.513,   1.610)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 38       ( 62.861,  47.608, -92.087)  ( 62.865,  47.613, -92.079)  ( 0.01,  0.01,  0.01)
170:     bond    (-24.635,  43.305, -50.958)  (-24.634,  43.309, -50.951)  ( 0.01,  0.01,  0.01)
170:     angle   ( 70.576,   3.937, -30.777)  ( 70.578,   3.938, -30.776)  ( 0.00,  0.01,  0.00)
170:     torsion ( 21.159,  -0.459, -10.620)  ( 21.158,  -0.459, -10.620)  ( 0.00,  0.02,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -4.238,   0.825,   0.267)  ( -4.238,   0.825,   0.267)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 39       ( 19.472, -70.371, 100.393)  ( 19.480, -70.369, 100.400)  ( 0.04,  0.00,  0.01)
170:     bond    (-48.674, -18.329,  48.688)  (-48.668, -18.329,  48.694)  ( 0.01,  0.00,  0.01)
170:     angle   ( 53.644, -47.965,  35.561)  ( 53.645, -47.964,  35.563)  ( 0.00,  0.00,  0.00)
170:     torsion ( 18.791,  -9.332,  15.268)  ( 18.791,  -9.332,  15.268)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -4.289,   5.255,   0.875)  ( -4.289,   5.255,   0.875)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 40       ( -2.451,  37.590, -114.230)  ( -2.447,  37.597, -114.225)  ( 0.18,  0.02,  0.00)
170:     bond    ( 38.547,  52.842, -29.733)  ( 38.551,  52.849, -29.730)  ( 0.01,  0.01,  0.01)
170:     angle   (-35.447, -11.705, -66.772)  (-35.446, -11.705, -66.769)  ( 0.00,  0.00,  0.00)
170:     torsion ( -8.694,  -5.083, -20.310)  ( -8.695,  -5.083, -20.310)  ( 0.01,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  3.143,   1.536,   2.584)  (  3.143,   1.537,   2.584)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 41       (-53.959, -84.045,  72.544)  (-53.957, -84.043,  72.557)  ( 0.00,  0.00,  0.02)
170:     bond    ( 13.120, -10.545,  68.597)  ( 13.120, -10.545,  68.610)  ( 0.00,  0.00,  0.02)
170:     angle   (-50.377, -58.390,   0.659)  (-50.376, -58.387,   0.659)  ( 0.00,  0.00,  0.00)
170:     torsion (-20.091, -17.796,   1.107)  (-20.091, -17.796,   1.107)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  3.390,   2.685,   2.181)  (  3.390,   2.685,   2.181)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 42       ( 24.269,  89.804, -56.022)  ( 24.271,  89.808, -56.009)  ( 0.00,  0.01,  0.02)
170:     bond    ( 17.871,   1.513, -55.564)  ( 17.872,   1.513, -55.552)  ( 0.01,  0.02,  0.02)
170:     angle   ( -5.898,  61.600,  -0.220)  ( -5.897,  61.605,  -0.220)  ( 0.01,  0.01,  0.00)
170:     torsion ( 11.599,  28.029,   4.495)  ( 11.598,  28.029,   4.494)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.697,  -1.338,  -4.732)  (  0.697,  -1.338,  -4.732)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 24 # gradients 
170: ok 25 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (-105.174, -144.268, -14.253)  (-105.139, -144.236, -14.237)  ( 0.03,  0.02,  0.11)
170:     bond    ( 10.278, -33.838,  -0.603)  ( 10.305, -33.816,  -0.603)  ( 0.26,  0.06,  0.04)
170:     angle   (-116.113, -109.997, -17.391)  (-116.106, -109.987, -17.391)  ( 0.01,  0.01,  0.00)
170:     torsion ( -0.359,  -0.205,   3.663)  ( -0.358,  -0.205,   3.677)  ( 0.01,  0.00,  0.39)
170:     oop     ( -0.004,  -0.003,   0.036)  ( -0.004,  -0.003,   0.037)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.024,  -0.225,   0.043)  (  1.024,  -0.225,   0.043)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (153.731, -28.974,  22.362)  (153.756, -28.939,  22.490)  ( 0.02,  0.12,  0.57)
170:     bond    (164.318, -90.976,  13.729)  (164.344, -90.949,  13.730)  ( 0.02,  0.03,  0.01)
170:     angle   ( -2.354,  65.055,   3.163)  ( -2.344,  65.069,   3.163)  ( 0.43,  0.02,  0.01)
170:     torsion ( -0.759,  -0.446,   6.049)  ( -0.759,  -0.446,   6.069)  ( 0.02,  0.00,  0.32)
170:     oop     (  0.070,   0.034,  -0.590)  (  0.057,   0.028,  -0.483)  ( 0.09,  0.02,  6.34)
170:     vdw     ( -7.543,  -2.641,   0.012)  ( -7.543,  -2.641,   0.012)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (-196.107,  57.985,  24.397)  (-196.048,  58.038,  24.240)  ( 0.03,  0.09,  0.64)
170:     bond    (-125.927, 114.595,  -7.662)  (-125.899, 114.622,  -7.661)  ( 0.02,  0.02,  0.02)
170:     angle   (-10.976, -97.837,  -9.535)  (-10.962, -97.823,  -9.532)  ( 0.13,  0.01,  0.02)
170:     torsion ( -4.310,  -1.339,  47.040)  ( -4.310,  -1.339,  47.053)  ( 0.00,  0.00,  0.03)
170:     oop     ( -0.106,  -0.070,   1.089)  ( -0.090,  -0.059,   0.916)  ( 0.17,  0.08, 15.84)
170:     vdw     (-54.788,  42.635,  -6.536)  (-54.787,  42.636,  -6.536)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       ( 21.003, -132.495, -21.471)  ( 21.009, -132.491, -21.075)  ( 0.03,  0.00,  1.85)
170:     bond    ( 25.927, -12.270,   1.359)  ( 25.949, -12.244,   1.360)  ( 0.09,  0.22,  0.03)
170:     angle   ( 35.206, -105.041,  15.337)  ( 35.221, -105.032,  15.339)  ( 0.04,  0.01,  0.01)
170:     torsion (  0.139,  -0.196, -37.773)  (  0.139,  -0.196, -37.760)  ( 0.00,  0.00,  0.03)
170:     oop     (  0.200,   0.174,  -2.187)  (  0.167,   0.142,  -1.805)  ( 0.66,  0.55, 17.44)
170:     vdw     (-40.469, -15.160,   1.792)  (-40.468, -15.160,   1.792)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-36.779, -70.807, -60.582)  (-34.794, -71.395, -56.096)  ( 5.40,  0.83,  7.41)
170:     bond    ( 74.777, -164.063, -84.429)  ( 74.801, -164.041, -84.409)  ( 0.03,  0.01,  0.02)
170:     angle   (-56.723,  75.522,  43.546)  (-56.709,  75.538,  43.556)  ( 0.02,  0.02,  0.02)
170:     torsion (  3.568,  -6.797, -17.456)  (  3.568,  -6.798, -17.454)  ( 0.00,  0.01,  0.01)
170:     oop     ( -4.447,   1.389, -10.142)  ( -2.501,   0.762,  -5.688)  (43.75, 45.13, 43.92)
170:     vdw     (-53.954,  23.142,   7.899)  (-53.953,  23.143,   7.899)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       ( 69.444, 172.988, -10.700)  ( 69.471, 173.014, -10.791)  ( 0.04,  0.02,  0.85)
170:     bond    (-21.543,  30.190,  -0.859)  (-21.529,  30.205,  -0.859)  ( 0.07,  0.05,  0.02)
170:     angle   ( 91.827, 137.422,  14.678)  ( 91.830, 137.425,  14.679)  ( 0.00,  0.00,  0.01)
170:     torsion (  2.672,   2.007, -24.878)  (  2.672,   2.007, -24.874)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.069,  -0.054,   0.642)  ( -0.058,  -0.045,   0.545)  ( 0.07,  0.05,  6.20)
170:     vdw     ( -3.444,   3.422,  -0.282)  ( -3.444,   3.422,  -0.282)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       ( 54.309,  31.278,  -7.125)  ( 52.239,  30.102, -21.105)  ( 3.81,  3.76, 196.20)
170:     bond    ( 77.926,  42.082, 172.758)  ( 77.956,  42.113, 172.767)  ( 0.04,  0.07,  0.01)
170:     angle   (-64.578, -12.164, -200.161)  (-64.567, -12.152, -200.149)  ( 0.02,  0.10,  0.01)
170:     torsion (  8.066,  -4.164, -21.071)  (  8.067,  -4.164, -21.071)  ( 0.00,  0.00,  0.00)
170:     oop     (  5.072,   2.613,  31.589)  (  2.959,   1.395,  17.586)  (41.66, 46.64, 44.33)
170:     vdw     ( 27.823,   2.910,   9.761)  ( 27.824,   2.911,   9.761)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       ( -2.798,  31.950, -24.954)  ( -2.794,  31.961, -24.949)  ( 0.17,  0.04,  0.02)
170:     bond    (  0.865,  37.377, -18.440)  (  0.865,  37.389, -18.437)  ( 0.02,  0.03,  0.01)
170:     angle   ( 28.069,  -8.888, -16.708)  ( 28.073,  -8.888, -16.706)  ( 0.01,  0.01,  0.01)
170:     torsion (  2.389,  -0.908,  -1.729)  (  2.389,  -0.908,  -1.730)  ( 0.00,  0.01,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-34.121,   4.368,  11.923)  (-34.120,   4.368,  11.924)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       ( -2.250,  12.393,  41.148)  ( -2.246,  12.396,  41.161)  ( 0.19,  0.02,  0.03)
170:     bond    (  4.780,   4.268,  30.232)  (  4.780,   4.268,  30.245)  ( 0.00,  0.00,  0.04)
170:     angle   ( 16.232, -17.244,  -0.133)  ( 16.236, -17.241,  -0.133)  ( 0.02,  0.02,  0.00)
170:     torsion ( -5.400,   9.053,  -0.424)  ( -5.400,   9.053,  -0.424)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-17.862,  16.316,  11.473)  (-17.862,  16.317,  11.473)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (  4.355, -18.419, -24.741)  (  5.319, -16.378, -20.159)  (22.12, 11.08, 18.52)
170:     bond    (-102.642, 129.702, -111.077)  (-102.623, 129.728, -111.057)  ( 0.02,  0.02,  0.02)
170:     angle   ( 75.638, -71.325,  99.210)  ( 75.652, -71.312,  99.221)  ( 0.02,  0.02,  0.01)
170:     torsion (  8.695,  -4.828, -10.298)  (  8.695,  -4.827, -10.297)  ( 0.01,  0.01,  0.01)
170:     oop     ( -2.278,  -4.478, -10.233)  ( -1.350,  -2.478,  -5.685)  (40.72, 44.66, 44.45)
170:     vdw     ( 24.943, -67.490,   7.658)  ( 24.944, -67.489,   7.658)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       ( 63.010,  99.225,  20.093)  ( 63.056,  99.274,  19.959)  ( 0.07,  0.05,  0.66)
170:     bond    ( 79.413,  99.565,  30.684)  ( 79.432,  99.585,  30.703)  ( 0.02,  0.02,  0.06)
170:     angle   ( -9.952,  30.935, -40.453)  ( -9.940,  30.948, -40.444)  ( 0.12,  0.04,  0.02)
170:     torsion ( -3.372,  -4.783,  32.081)  ( -3.372,  -4.782,  32.085)  ( 0.02,  0.02,  0.01)
170:     oop     ( -0.063,  -0.069,   0.766)  ( -0.049,  -0.054,   0.602)  ( 0.08,  0.10, 12.59)
170:     vdw     ( -3.016, -26.423,  -2.986)  ( -3.016, -26.422,  -2.986)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       ( 37.547, -27.696,   4.109)  ( 37.556, -27.688,   4.113)  ( 0.03,  0.03,  0.09)
170:     bond    ( 28.298, -24.654, -12.032)  ( 28.305, -24.649, -12.031)  ( 0.02,  0.02,  0.01)
170:     angle   ( 22.190,  33.253, -15.922)  ( 22.192,  33.255, -15.920)  ( 0.01,  0.01,  0.02)
170:     torsion ( -2.195, -14.384,  24.305)  ( -2.195, -14.384,  24.306)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.747, -21.911,   7.758)  (-10.746, -21.910,   7.758)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (-11.344,  26.770,  42.444)  (-11.341,  26.774,  42.458)  ( 0.03,  0.02,  0.03)
170:     bond    (  2.456,   2.184,  29.140)  (  2.456,   2.184,  29.154)  ( 0.00,  0.00,  0.05)
170:     angle   ( -9.382,  12.875,  -0.175)  ( -9.380,  12.879,  -0.175)  ( 0.03,  0.03,  0.00)
170:     torsion (-13.673,  31.478,  -1.206)  (-13.673,  31.478,  -1.206)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  9.254, -19.767,  14.685)  (  9.255, -19.767,  14.685)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       (-22.304,   3.401, -47.032)  (-22.301,   3.406, -47.020)  ( 0.02,  0.14,  0.03)
170:     bond    (  2.349, -14.286, -31.725)  (  2.349, -14.284, -31.714)  ( 0.00,  0.02,  0.04)
170:     angle   (  2.309,   3.874,  -1.575)  (  2.312,   3.876,  -1.575)  ( 0.13,  0.05,  0.03)
170:     torsion (-21.642,  16.962,  -9.243)  (-21.642,  16.962,  -9.243)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -5.320,  -3.149,  -4.488)  ( -5.320,  -3.149,  -4.488)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       (  4.077, -33.813,  26.813)  (  4.081, -33.804,  26.821)  ( 0.09,  0.03,  0.03)
170:     bond    ( -6.848, -27.243,  24.405)  ( -6.848, -27.236,  24.411)  ( 0.00,  0.03,  0.02)
170:     angle   (-10.498,   9.945,   8.151)  (-10.495,   9.946,   8.153)  ( 0.03,  0.01,  0.02)
170:     torsion ( 24.181, -10.781,  -5.244)  ( 24.181, -10.780,  -5.244)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -2.757,  -5.734,  -0.499)  ( -2.757,  -5.734,  -0.499)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       ( 11.733,  55.009,  10.634)  ( 11.749,  55.015,  10.625)  ( 0.13,  0.01,  0.09)
170:     bond    ( -1.222,   0.315,  -0.136)  ( -1.208,   0.316,  -0.136)  ( 1.13,  0.03,  0.00)
170:     angle   ( 14.081,  55.806,   4.778)  ( 14.081,  55.810,   4.778)  ( 0.00,  0.01,  0.00)
170:     torsion ( -0.765,  -0.332,   6.032)  ( -0.765,  -0.332,   6.036)  ( 0.01,  0.00,  0.07)
170:     oop     ( -0.007,  -0.003,   0.058)  ( -0.006,  -0.002,   0.045)  ( 0.00,  0.00,  0.08)
170:     vdw     ( -0.355,  -0.778,  -0.098)  ( -0.354,  -0.778,  -0.098)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       ( 10.482,  -3.158,   6.402)  ( 10.492,  -3.140,   6.353)  ( 0.10,  0.57,  0.76)
170:     bond    (  0.414,  -4.930,  -0.217)  (  0.414,  -4.915,  -0.217)  ( 0.01,  0.30,  0.00)
170:     angle   ( 12.011,   0.962,   1.115)  ( 12.015,   0.962,   1.115)  ( 0.03,  0.00,  0.01)
170:     torsion ( -0.601,  -0.285,   5.301)  ( -0.601,  -0.285,   5.307)  ( 0.00,  0.00,  0.10)
170:     oop     ( -0.029,  -0.013,   0.242)  ( -0.022,  -0.010,   0.188)  ( 0.02,  0.00,  1.30)
170:     vdw     ( -1.313,   1.108,  -0.039)  ( -1.312,   1.108,  -0.039)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       ( 30.780, 158.107,  64.874)  ( 30.139, 157.939,  69.869)  ( 2.08,  0.11,  7.70)
170:     bond    (-95.903,  15.782, -199.133)  (-95.875,  15.805, -199.113)  ( 0.03,  0.14,  0.01)
170:     angle   (118.197, 123.500, 291.853)  (118.211, 123.516, 291.869)  ( 0.01,  0.01,  0.01)
170:     torsion ( -3.589,  -2.850,  -0.620)  ( -3.588,  -2.848,  -0.620)  ( 0.01,  0.08,  0.03)
170:     oop     (  1.121,   0.814, -10.905)  (  0.437,   0.604,  -5.947)  (61.03, 17.03, 45.47)
170:     vdw     ( 10.954,  20.861, -16.321)  ( 10.955,  20.862, -16.320)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       (-37.631, -20.339, -59.768)  (-37.591, -20.305, -59.727)  ( 0.11,  0.17,  0.07)
170:     bond    (-19.638,  14.035,  -5.470)  (-19.621,  14.046,  -5.441)  ( 0.09,  0.08,  0.52)
170:     angle   (  2.156, -75.195, -60.635)  (  2.166, -75.187, -60.622)  ( 0.48,  0.01,  0.02)
170:     torsion (-13.317, -12.946,  -5.513)  (-13.310, -12.934,  -5.513)  ( 0.06,  0.09,  0.00)
170:     oop     ( -0.048,  -0.052,   0.010)  ( -0.045,  -0.050,   0.008)  ( 0.02,  0.01,  0.00)
170:     vdw     ( -6.784,  53.819,  11.841)  ( -6.782,  53.820,  11.841)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       (-154.713, -430.872, -83.506)  (-155.090, -430.681, -83.227)  ( 0.24,  0.04,  0.33)
170:     bond    (-41.612, -139.052,   9.393)  (-41.596, -139.020,   9.422)  ( 0.04,  0.02,  0.31)
170:     angle   (-177.794, -307.617, -108.703)  (-177.788, -307.598, -108.689)  ( 0.00,  0.01,  0.01)
170:     torsion (  9.314,   0.875,   4.567)  (  9.313,   0.875,   4.567)  ( 0.01,  0.00,  0.00)
170:     oop     (  2.243,  -0.776,  -1.306)  (  1.843,  -0.636,  -1.070)  (17.81, 10.85, 18.03)
170:     vdw     ( 53.137,  15.698,  12.543)  ( 53.138,  15.699,  12.543)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       ( 23.892, -31.275,  44.425)  ( 23.897, -31.271,  44.438)  ( 0.02,  0.01,  0.03)
170:     bond    (  3.796,   4.971,  35.728)  (  3.796,   4.971,  35.742)  ( 0.00,  0.00,  0.04)
170:     angle   ( 25.011, -40.894,   3.030)  ( 25.015, -40.891,   3.030)  ( 0.02,  0.01,  0.00)
170:     torsion ( -1.992, -20.942,   3.124)  ( -1.993, -20.942,   3.124)  ( 0.03,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -2.923,  25.590,   2.541)  ( -2.922,  25.591,   2.542)  ( 0.04,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       (-51.578,  14.808, -28.254)  (-51.561,  14.816, -28.214)  ( 0.03,  0.05,  0.14)
170:     bond    ( 21.566, -14.742,  79.018)  ( 21.583, -14.732,  79.046)  ( 0.08,  0.07,  0.04)
170:     angle   (-29.990,  22.642, -44.609)  (-29.981,  22.647, -44.598)  ( 0.03,  0.02,  0.03)
170:     torsion ( -7.402,  -9.999,   0.215)  ( -7.394,  -9.985,   0.215)  ( 0.10,  0.14,  0.00)
170:     oop     (  0.114,   0.145,  -0.000)  (  0.097,   0.123,  -0.000)  ( 0.20,  0.31,  0.00)
170:     vdw     (-35.866,  16.762, -62.877)  (-35.865,  16.763, -62.877)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       ( -9.338,  -0.423, -19.364)  ( -9.298,  -0.387, -19.323)  ( 0.42,  1.55,  0.21)
170:     bond    (-22.601,  16.510,  33.915)  (-22.583,  16.521,  33.940)  ( 0.08,  0.07,  0.07)
170:     angle   (  9.256,  -6.399,  21.189)  (  9.262,  -6.395,  21.204)  ( 0.07,  0.06,  0.07)
170:     torsion ( -3.635,  -4.954,   0.185)  ( -3.627,  -4.941,   0.185)  ( 0.21,  0.28,  0.00)
170:     oop     ( -0.037,  -0.049,  -0.001)  ( -0.030,  -0.040,  -0.000)  ( 0.02,  0.04,  0.00)
170:     vdw     (  7.680,  -5.532, -74.653)  (  7.679,  -5.532, -74.651)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       ( 14.625,  -7.992,  -3.371)  ( 14.695,  -7.915,  -3.331)  ( 0.48,  0.96,  1.18)
170:     bond    (-19.694,  14.338,  19.140)  (-19.678,  14.348,  19.169)  ( 0.08,  0.07,  0.15)
170:     angle   (-13.808,  10.641,   1.140)  (-13.800,  10.646,   1.151)  ( 0.06,  0.05,  0.92)
170:     torsion (  2.277,   2.841,   0.060)  (  2.285,   2.855,   0.060)  ( 0.34,  0.48,  0.00)
170:     oop     ( -0.215,  -0.283,  -0.004)  ( -0.179,  -0.235,  -0.003)  ( 0.77,  1.35,  0.00)
170:     vdw     ( 46.065, -35.530, -23.708)  ( 46.065, -35.529, -23.707)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       ( 11.032,  -8.892,   3.661)  ( 11.029,  -8.910,   3.700)  ( 0.03,  0.21,  1.08)
170:     bond    (-43.220,  33.860,  -7.922)  (-43.203,  33.871,  -7.894)  ( 0.04,  0.03,  0.35)
170:     angle   (  5.370,  -2.751, -38.560)  (  5.378,  -2.746, -38.548)  ( 0.15,  0.17,  0.03)
170:     torsion ( -1.231,  -1.470,   0.029)  ( -1.223,  -1.457,   0.029)  ( 0.66,  0.90,  0.00)
170:     oop     (  0.244,   0.314,   0.008)  (  0.207,   0.266,   0.007)  ( 0.90,  1.49,  0.00)
170:     vdw     ( 49.870, -38.844,  50.106)  ( 49.870, -38.843,  50.106)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 26       ( 35.040, -11.112,  -7.538)  ( 35.159, -10.971,  -7.494)  ( 0.34,  1.27,  0.58)
170:     bond    ( -3.115,   5.491, -146.885)  ( -3.097,   5.502, -146.863)  ( 0.59,  0.21,  0.01)
170:     angle   ( 28.451, -22.074,  68.116)  ( 28.456, -22.071,  68.132)  ( 0.02,  0.01,  0.02)
170:     torsion (  6.340,   7.205,  -0.976)  (  6.347,   7.216,  -0.976)  ( 0.10,  0.15,  0.00)
170:     oop     ( -0.524,  -0.680,  -0.024)  ( -0.436,  -0.565,  -0.020)  ( 4.64,  7.85,  0.01)
170:     vdw     (  3.888,  -1.054,  72.231)  (  3.888,  -1.054,  72.233)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       ( 26.429,   5.628,  15.362)  ( 26.436,   5.634,  15.371)  ( 0.03,  0.10,  0.06)
170:     bond    ( 14.560, -10.532,  14.887)  ( 14.566, -10.528,  14.894)  ( 0.04,  0.03,  0.04)
170:     angle   ( -8.953,   6.848,  13.594)  ( -8.952,   6.849,  13.596)  ( 0.01,  0.01,  0.02)
170:     torsion ( 15.921,  21.527,  -0.353)  ( 15.923,  21.530,  -0.353)  ( 0.01,  0.02,  0.00)
170:     oop     (  0.008,   0.010,  -0.000)  (  0.006,   0.009,  -0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  4.893, -12.226, -12.766)  (  4.893, -12.226, -12.766)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 28       ( -5.528,  11.974,  -8.448)  ( -5.523,  11.977,  -8.440)  ( 0.09,  0.02,  0.10)
170:     bond    (-11.891,   9.551, -11.628)  (-11.885,   9.555, -11.622)  ( 0.05,  0.04,  0.05)
170:     angle   ( -4.069,   3.054,   6.669)  ( -4.068,   3.055,   6.672)  ( 0.02,  0.02,  0.04)
170:     torsion (  3.575,   4.553,   0.087)  (  3.577,   4.556,   0.087)  ( 0.05,  0.07,  0.00)
170:     oop     (  0.025,   0.032,   0.001)  (  0.021,   0.026,   0.001)  ( 0.01,  0.02,  0.00)
170:     vdw     (  6.832,  -5.216,  -3.577)  (  6.832,  -5.216,  -3.577)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 29       ( -4.119,  18.843,  76.496)  ( -4.146,  18.806,  76.506)  ( 0.66,  0.19,  0.01)
170:     bond    ( -3.906,   1.114,  49.703)  ( -3.906,   1.113,  49.715)  ( 0.00,  0.01,  0.02)
170:     angle   (-35.531,  27.684,  -3.411)  (-35.530,  27.685,  -3.411)  ( 0.00,  0.00,  0.00)
170:     torsion ( 10.449,  13.670,   0.515)  ( 10.449,  13.671,   0.515)  ( 0.01,  0.01,  0.00)
170:     oop     (  0.184,   0.238,   0.009)  (  0.154,   0.199,   0.008)  ( 0.55,  0.93,  0.00)
170:     vdw     ( 24.685, -23.863,  29.680)  ( 24.686, -23.862,  29.681)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 30       ( -5.820,  -7.368,  15.017)  ( -5.823,  -7.374,  15.032)  ( 0.06,  0.08,  0.10)
170:     bond    ( -1.988,   1.341,  17.656)  ( -1.988,   1.342,  17.671)  ( 0.01,  0.01,  0.08)
170:     angle   (  1.111,  -0.844,   0.189)  (  1.113,  -0.843,   0.189)  ( 0.23,  0.12,  0.00)
170:     torsion ( -5.653,  -7.515,  -0.065)  ( -5.651,  -7.512,  -0.065)  ( 0.03,  0.04,  0.00)
170:     oop     (  0.049,   0.065,   0.001)  (  0.041,   0.054,   0.000)  ( 0.04,  0.07,  0.00)
170:     vdw     (  0.661,  -0.415,  -2.763)  (  0.661,  -0.415,  -2.763)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 31       (-12.539,   6.067,   5.303)  (-12.546,   6.052,   5.309)  ( 0.06,  0.25,  0.10)
170:     bond    (-12.860,   9.733,   6.528)  (-12.852,   9.738,   6.530)  ( 0.06,  0.05,  0.03)
170:     angle   (  0.009,  -0.020,   0.044)  (  0.009,  -0.020,   0.047)  ( 0.00,  0.00,  0.02)
170:     torsion ( -1.782,  -2.314,  -0.057)  ( -1.780,  -2.311,  -0.057)  ( 0.10,  0.14,  0.00)
170:     oop     (  0.107,   0.140,   0.002)  (  0.089,   0.116,   0.001)  ( 0.19,  0.33,  0.00)
170:     vdw     (  1.988,  -1.472,  -1.213)  (  1.988,  -1.472,  -1.212)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 32       (-21.475, -19.086,  14.442)  (-21.268, -19.132,  14.340)  ( 0.96,  0.24,  0.70)
170:     bond    (-28.227, -40.479, -24.358)  (-28.218, -40.461, -24.351)  ( 0.03,  0.05,  0.03)
170:     angle   ( -7.269,  20.713, -26.004)  ( -7.269,  20.716, -25.999)  ( 0.00,  0.02,  0.02)
170:     torsion (-17.297,   5.979,  10.109)  (-17.297,   5.979,  10.109)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.893,   0.309,   0.519)  ( -0.695,   0.241,   0.405)  (17.64,  2.11,  5.95)
170:     vdw     ( 32.211,  -5.608,  54.175)  ( 32.211,  -5.608,  54.176)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 33       (191.674, 529.624,  17.656)  (191.798, 529.618,  17.621)  ( 0.07,  0.00,  0.20)
170:     bond    ( 58.236, 235.285, -11.641)  ( 58.243, 235.306, -11.617)  ( 0.01,  0.01,  0.20)
170:     angle   (117.848, 263.254,  51.661)  (117.853, 263.265,  51.664)  ( 0.00,  0.00,  0.01)
170:     torsion (  7.170,  -2.214,  -3.132)  (  7.171,  -2.214,  -3.132)  ( 0.02,  0.01,  0.02)
170:     oop     ( -0.723,   0.249,   0.417)  ( -0.612,   0.211,   0.354)  ( 8.03,  0.96,  2.67)
170:     vdw     (  9.142,  33.049, -19.649)  (  9.142,  33.050, -19.648)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 34       (-95.864, -304.195, -16.249)  (-95.834, -304.157, -16.216)  ( 0.03,  0.01,  0.20)
170:     bond    ( -7.830, -283.974, 125.651)  ( -7.811, -283.947, 125.671)  ( 0.25,  0.01,  0.02)
170:     angle   (-63.048, -27.767, -86.024)  (-63.038, -27.756, -86.013)  ( 0.02,  0.04,  0.01)
170:     torsion (  2.136,  -2.699,  -6.132)  (  2.137,  -2.699,  -6.131)  ( 0.06,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-27.123,  10.246, -49.744)  (-27.122,  10.246, -49.743)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 35       (-19.068,  11.021, -38.923)  (-19.063,  11.024, -38.912)  ( 0.03,  0.03,  0.03)
170:     bond    (-21.019,  -1.122, -37.942)  (-21.016,  -1.122, -37.932)  ( 0.01,  0.02,  0.03)
170:     angle   (  3.075,  12.287,  -2.069)  (  3.076,  12.290,  -2.068)  ( 0.05,  0.03,  0.03)
170:     torsion ( -1.170,   0.310,   0.639)  ( -1.170,   0.310,   0.639)  ( 0.02,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.047,  -0.454,   0.449)  (  0.047,  -0.454,   0.449)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 36       (-16.760,  36.523,  29.211)  (-16.755,  36.531,  29.218)  ( 0.03,  0.02,  0.02)
170:     bond    (-19.545,  27.111,  25.058)  (-19.543,  27.117,  25.063)  ( 0.01,  0.02,  0.02)
170:     angle   (  8.183,  -3.579,  10.250)  (  8.185,  -3.577,  10.252)  ( 0.02,  0.06,  0.02)
170:     torsion (  3.176,   0.660,   1.763)  (  3.177,   0.660,   1.763)  ( 0.01,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.575,  12.331,  -7.860)  ( -8.574,  12.332,  -7.860)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 37       ( 47.268,  16.793,  -9.312)  ( 47.281,  16.797,  -9.309)  ( 0.03,  0.03,  0.03)
170:     bond    ( 40.819,  12.299,  -7.273)  ( 40.832,  12.300,  -7.273)  ( 0.03,  0.01,  0.00)
170:     angle   (  4.589,  -6.863,  14.160)  (  4.589,  -6.860,  14.162)  ( 0.01,  0.04,  0.01)
170:     torsion (  0.016,   0.138,   0.323)  (  0.016,   0.138,   0.323)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.844,  11.218, -16.522)  (  1.844,  11.218, -16.521)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 26 # gradients 
170: ok 27 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (116.287,  -8.442, -22.838)  (115.961,  -8.715, -21.215)  ( 0.28,  3.23,  7.11)
170:     bond    ( 22.087,  34.962,  11.952)  ( 22.113,  34.988,  11.955)  ( 0.12,  0.08,  0.02)
170:     angle   (165.435, -77.004,  22.812)  (165.451, -76.990,  22.815)  ( 0.01,  0.02,  0.01)
170:     torsion (  9.259,   8.251, -38.340)  (  9.260,   8.252, -38.324)  ( 0.01,  0.01,  0.04)
170:     oop     (  2.175,   1.906,  -9.509)  (  1.805,   1.591,  -7.909)  (17.02, 16.54, 16.83)
170:     vdw     (-82.669,  23.444,  -9.752)  (-82.667,  23.444,  -9.753)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (-155.800, 150.666, 267.741)  (-154.650, 151.649, 263.333)  ( 0.74,  0.65,  1.65)
170:     bond    (  9.289,  69.441,  23.457)  (  9.318,  69.474,  23.461)  ( 0.31,  0.05,  0.02)
170:     angle   (-107.245, 105.199, 110.114)  (-107.231, 105.217, 110.118)  ( 0.01,  0.02,  0.00)
170:     torsion (-32.308, -13.312,  54.815)  (-32.307, -13.311,  54.830)  ( 0.00,  0.00,  0.03)
170:     oop     ( -6.535,  -5.596,  26.451)  ( -5.431,  -4.669,  22.019)  (16.90, 16.58, 16.75)
170:     vdw     (-19.000,  -5.065,  52.904)  (-19.000,  -5.063,  52.905)  ( 0.00,  0.04,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (-57.832,  13.874, -100.971)  (-58.268,  13.545, -99.127)  ( 0.76,  2.38,  1.83)
170:     bond    (-38.862, -10.395, -15.474)  (-38.837, -10.368, -15.471)  ( 0.07,  0.26,  0.02)
170:     angle   (-109.964, -43.953, -25.984)  (-109.949, -43.939, -25.981)  ( 0.01,  0.03,  0.01)
170:     torsion ( 21.720,  18.174, -85.176)  ( 21.721,  18.175, -85.164)  ( 0.00,  0.00,  0.01)
170:     oop     (  2.730,   2.131, -10.332)  (  2.250,   1.759,  -8.506)  (17.57, 17.48, 17.67)
170:     vdw     ( 66.545,  47.917,  35.994)  ( 66.546,  47.918,  35.994)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       (184.459, -239.482, -29.973)  (184.508, -239.437, -29.957)  ( 0.03,  0.02,  0.06)
170:     bond    (-32.139,   7.417,  -7.582)  (-32.111,   7.449,  -7.577)  ( 0.09,  0.43,  0.06)
170:     angle   (144.581, -202.810, -20.798)  (144.599, -202.798, -20.794)  ( 0.01,  0.01,  0.02)
170:     torsion ( -1.634,  -4.597,  -9.079)  ( -1.633,  -4.596,  -9.069)  ( 0.06,  0.02,  0.11)
170:     oop     ( -0.003,  -0.005,   0.035)  ( -0.004,  -0.005,   0.033)  ( 0.00,  0.00,  0.01)
170:     vdw     ( 73.655, -39.487,   7.449)  ( 73.657, -39.486,   7.449)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-72.114, 270.082, 106.351)  (-72.064, 270.118, 106.344)  ( 0.07,  0.01,  0.01)
170:     bond    ( 18.507,  66.722,  22.387)  ( 18.545,  66.737,  22.391)  ( 0.21,  0.02,  0.02)
170:     angle   (-58.001, 253.644,  45.410)  (-57.997, 253.659,  45.411)  ( 0.01,  0.01,  0.00)
170:     torsion (-14.088, -14.246,  55.093)  (-14.087, -14.246,  55.103)  ( 0.00,  0.01,  0.02)
170:     oop     ( -0.043,  -0.038,   0.154)  ( -0.037,  -0.032,   0.132)  ( 0.03,  0.02,  0.34)
170:     vdw     (-18.489, -36.000, -16.693)  (-18.488, -35.999, -16.693)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (-144.386, -274.299, -65.742)  (-144.318, -274.236, -65.806)  ( 0.05,  0.02,  0.10)
170:     bond    ( 24.508, -14.699,   2.276)  ( 24.539, -14.671,   2.278)  ( 0.13,  0.19,  0.12)
170:     angle   (-110.762, -191.038, -70.306)  (-110.747, -191.026, -70.305)  ( 0.01,  0.01,  0.00)
170:     torsion ( -6.352,  -6.639,  30.953)  ( -6.351,  -6.638,  30.969)  ( 0.01,  0.01,  0.05)
170:     oop     ( -0.117,  -0.124,   0.529)  ( -0.098,  -0.104,   0.445)  ( 0.22,  0.25,  4.46)
170:     vdw     (-51.662, -61.799, -29.194)  (-51.661, -61.798, -29.193)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (122.317, 204.297,  91.404)  (122.354, 204.333,  91.400)  ( 0.03,  0.02,  0.00)
170:     bond    (-59.287,  40.804, -39.722)  (-59.267,  40.822, -39.705)  ( 0.03,  0.04,  0.04)
170:     angle   (169.152, 160.163, 141.143)  (169.162, 160.174, 141.153)  ( 0.01,  0.01,  0.01)
170:     torsion ( 11.730,  31.489,  -2.761)  ( 11.730,  31.488,  -2.760)  ( 0.00,  0.00,  0.02)
170:     oop     ( -0.052,  -0.048,   0.202)  ( -0.044,  -0.041,   0.170)  ( 0.04,  0.04,  0.63)
170:     vdw     (  0.773, -28.111,  -7.459)  (  0.773, -28.110,  -7.459)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (203.160, -45.288, -431.202)  (202.847, -45.562, -429.849)  ( 0.15,  0.61,  0.31)
170:     bond    ( 95.715,  18.633, -250.426)  ( 95.719,  18.665, -250.410)  ( 0.00,  0.17,  0.01)
170:     angle   (101.532, -91.827, -165.456)  (101.541, -91.824, -165.450)  ( 0.01,  0.00,  0.00)
170:     torsion ( 13.941,   3.202,  -5.164)  ( 13.941,   3.202,  -5.161)  ( 0.00,  0.01,  0.05)
170:     oop     (  2.059,   1.964,  -8.438)  (  1.732,   1.654,  -7.110)  (15.90, 15.77, 15.74)
170:     vdw     (-10.088,  22.740,  -1.718)  (-10.086,  22.741,  -1.718)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (-119.586,  -4.170, 306.701)  (-119.558,  -4.136, 306.738)  ( 0.02,  0.82,  0.01)
170:     bond    (-74.362, -193.521, 251.137)  (-74.343, -193.499, 251.163)  ( 0.03,  0.01,  0.01)
170:     angle   (-42.941, 160.865,  63.012)  (-42.932, 160.877,  63.023)  ( 0.02,  0.01,  0.02)
170:     torsion (  3.312,   2.617,   2.887)  (  3.313,   2.617,   2.887)  ( 0.01,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -5.595,  25.869, -10.335)  ( -5.595,  25.869, -10.335)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (  1.128, -17.670,   8.275)  (  1.188, -17.614,   8.174)  ( 5.31,  0.31,  1.23)
170:     bond    (-74.691, -54.906, -31.978)  (-74.672, -54.888, -31.960)  ( 0.03,  0.03,  0.06)
170:     angle   ( 57.560,  23.646,  21.495)  ( 57.570,  23.656,  21.502)  ( 0.02,  0.04,  0.03)
170:     torsion ( -0.752,  -2.541,   6.822)  ( -0.753,  -2.542,   6.822)  ( 0.05,  0.04,  0.01)
170:     oop     ( -0.164,  -0.141,   0.673)  ( -0.133,  -0.114,   0.545)  ( 0.51,  0.38,  8.62)
170:     vdw     ( 19.175,  16.273,  11.263)  ( 19.176,  16.274,  11.263)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (  7.300, -10.594,  -0.715)  (  7.342, -10.551,  -0.744)  ( 0.59,  0.40,  2.08)
170:     bond    ( 70.242, -27.806,  10.923)  ( 70.262, -27.788,  10.941)  ( 0.03,  0.06,  0.17)
170:     angle   (-42.172,  23.429,  -1.074)  (-42.163,  23.439,  -1.067)  ( 0.02,  0.04,  0.67)
170:     torsion (  0.776,   0.111,  -5.336)  (  0.776,   0.112,  -5.332)  ( 0.02,  0.01,  0.06)
170:     oop     ( -0.068,  -0.069,   0.306)  ( -0.055,  -0.056,   0.248)  ( 0.09,  0.09,  1.78)
170:     vdw     (-21.478,  -6.259,  -5.534)  (-21.477,  -6.258,  -5.534)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (-347.962, -83.970, -34.862)  (-347.919, -83.904, -34.737)  ( 0.01,  0.08,  0.36)
170:     bond    (-95.159,  57.313, -18.541)  (-95.123,  57.343, -18.539)  ( 0.04,  0.05,  0.01)
170:     angle   (-217.544, -227.821,   8.524)  (-217.526, -227.800,   8.524)  ( 0.01,  0.01,  0.00)
170:     torsion (  0.732,  -1.049,  -7.161)  (  0.733,  -1.048,  -7.131)  ( 0.03,  0.07,  0.43)
170:     oop     (  0.065,  -0.091,  -0.610)  (  0.054,  -0.078,  -0.517)  ( 0.07,  0.12,  5.67)
170:     vdw     (-36.057,  87.678, -17.073)  (-36.056,  87.680, -17.073)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (-47.159,   1.404,  -6.248)  (-47.121,   1.446,  -6.216)  ( 0.08,  2.99,  0.52)
170:     bond    (  4.431, -78.812,  12.662)  (  4.458, -78.785,  12.664)  ( 0.61,  0.03,  0.01)
170:     angle   (-82.462,  46.267, -15.546)  (-82.451,  46.280, -15.546)  ( 0.01,  0.03,  0.00)
170:     torsion (  0.144,  -0.241,  -1.412)  (  0.144,  -0.240,  -1.388)  ( 0.00,  0.01,  1.66)
170:     oop     ( -0.002,   0.003,   0.018)  ( -0.003,   0.004,   0.025)  ( 0.00,  0.00,  0.01)
170:     vdw     ( 30.730,  34.187,  -1.971)  ( 30.731,  34.188,  -1.971)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       ( 96.852,   4.630,   8.342)  ( 96.892,   4.670,   8.379)  ( 0.04,  0.87,  0.43)
170:     bond    (-81.099, -19.893,  -5.762)  (-81.075, -19.864,  -5.760)  ( 0.03,  0.15,  0.03)
170:     angle   ( 84.801,  33.466,   4.032)  ( 84.815,  33.475,   4.033)  ( 0.02,  0.03,  0.01)
170:     torsion (  0.104,  -0.149,  -0.999)  (  0.104,  -0.149,  -0.979)  ( 0.00,  0.01,  2.05)
170:     oop     (  0.008,  -0.012,  -0.078)  (  0.007,  -0.010,  -0.064)  ( 0.00,  0.00,  0.10)
170:     vdw     ( 93.038,  -8.781,  11.149)  ( 93.040,  -8.782,  11.149)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       ( 24.690, -95.271,  15.467)  ( 24.730, -95.231,  15.482)  ( 0.16,  0.04,  0.10)
170:     bond    ( -7.132,  82.507, -13.213)  ( -7.103,  82.532, -13.212)  ( 0.40,  0.03,  0.01)
170:     angle   ( -4.266, -90.118,  13.138)  ( -4.256, -90.105,  13.138)  ( 0.23,  0.01,  0.00)
170:     torsion (  0.185,  -0.262,  -1.771)  (  0.185,  -0.261,  -1.751)  ( 0.00,  0.01,  1.16)
170:     oop     ( -0.005,   0.007,   0.047)  ( -0.004,   0.006,   0.039)  ( 0.00,  0.00,  0.04)
170:     vdw     ( 35.908, -87.405,  17.267)  ( 35.909, -87.403,  17.267)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       (-14.226,  47.407,  -7.376)  (-14.186,  47.450,  -7.339)  ( 0.27,  0.09,  0.50)
170:     bond    ( 79.107,  23.236,   4.878)  ( 79.134,  23.262,   4.880)  ( 0.03,  0.11,  0.03)
170:     angle   (-66.419,  62.051, -14.039)  (-66.406,  62.063, -14.039)  ( 0.02,  0.02,  0.00)
170:     torsion (  0.056,  -0.204,  -1.211)  (  0.056,  -0.203,  -1.189)  ( 0.00,  0.01,  1.85)
170:     oop     ( -0.002,   0.001,   0.008)  ( -0.003,   0.003,   0.021)  ( 0.00,  0.00,  0.01)
170:     vdw     (-26.968, -37.677,   2.988)  (-26.968, -37.676,   2.988)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       (-39.515, 382.680, -63.790)  (-39.454, 382.721, -63.819)  ( 0.16,  0.01,  0.04)
170:     bond    (-133.796,  87.788, -25.421)  (-133.762,  87.821, -25.419)  ( 0.03,  0.04,  0.01)
170:     angle   (188.007, 285.937, -24.977)  (188.027, 285.953, -24.977)  ( 0.01,  0.01,  0.00)
170:     torsion (  0.382,  -0.385,  -2.583)  (  0.383,  -0.384,  -2.558)  ( 0.01,  0.02,  0.99)
170:     oop     ( -0.021,   0.035,   0.233)  ( -0.016,   0.027,   0.176)  ( 0.01,  0.03,  1.31)
170:     vdw     (-94.088,   9.305, -11.042)  (-94.085,   9.305, -11.042)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       (212.966, -78.853,  86.599)  (213.063, -78.852,  86.189)  ( 0.05,  0.00,  0.47)
170:     bond    ( 32.722, -204.290,  33.509)  ( 32.759, -204.250,  33.510)  ( 0.11,  0.02,  0.00)
170:     angle   (159.584, 163.634, -10.633)  (159.597, 163.653, -10.632)  ( 0.01,  0.01,  0.01)
170:     torsion ( -5.949,   8.499,  59.353)  ( -5.949,   8.500,  59.376)  ( 0.00,  0.01,  0.04)
170:     oop     ( -0.214,   0.297,   2.136)  ( -0.168,   0.239,   1.700)  ( 0.99,  1.74, 20.41)
170:     vdw     ( 26.823, -46.995,   2.235)  ( 26.824, -46.994,   2.235)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       (1019.396, 300.440,  81.714)  (1019.454, 300.455,  81.497)  ( 0.01,  0.00,  0.27)
170:     bond    (111.633,   0.358,   7.479)  (111.661,   0.396,   7.479)  ( 0.03,  1.35,  0.00)
170:     angle   (888.998, 300.890,  82.517)  (889.014, 300.903,  82.518)  ( 0.00,  0.00,  0.00)
170:     torsion ( -0.754,   0.132,   4.980)  ( -0.754,   0.133,   4.992)  ( 0.00,  0.00,  0.25)
170:     oop     ( -0.014,   0.046,   0.300)  ( -0.002,   0.010,   0.069)  ( 0.02,  0.17,  6.96)
170:     vdw     ( 19.534,  -0.986, -13.562)  ( 19.534,  -0.986, -13.562)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       (-388.615, -447.620,  27.265)  (-388.593, -447.552,  27.475)  ( 0.01,  0.02,  0.77)
170:     bond    (187.005, -176.800,  44.071)  (187.029, -176.769,  44.073)  ( 0.01,  0.02,  0.00)
170:     angle   (-578.131, -267.848,  -1.152)  (-578.119, -267.841,  -1.153)  ( 0.00,  0.00,  0.03)
170:     torsion (  0.858,  -2.027, -13.278)  (  0.858,  -2.026, -13.269)  ( 0.01,  0.01,  0.06)
170:     oop     (  0.040,  -0.081,  -0.537)  (  0.027,  -0.051,  -0.337)  ( 0.05,  0.25, 10.76)
170:     vdw     (  1.612,  -0.864,  -1.840)  (  1.612,  -0.864,  -1.840)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       (-794.623, -314.468, -466.439)  (-794.605, -314.423, -466.288)  ( 0.00,  0.01,  0.03)
170:     bond    (-161.101,   6.643, -48.436)  (-161.085,   6.666, -48.428)  ( 0.01,  0.34,  0.02)
170:     angle   (-581.286, -318.955, -397.058)  (-581.278, -318.953, -397.054)  ( 0.00,  0.00,  0.00)
170:     torsion (  3.410,  -0.722, -12.178)  (  3.410,  -0.722, -12.176)  ( 0.00,  0.01,  0.02)
170:     oop     (  0.022,  -0.047,  -0.324)  (  0.014,  -0.027,  -0.187)  ( 0.02,  0.10,  4.46)
170:     vdw     (-55.668,  -1.388,  -8.443)  (-55.666,  -1.388,  -8.443)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       (-105.736, 234.763, 265.708)  (-105.719, 234.782, 265.709)  ( 0.02,  0.01,  0.00)
170:     bond    ( 86.180, 110.253,  19.659)  ( 86.189, 110.267,  19.659)  ( 0.01,  0.01,  0.00)
170:     angle   ( 55.099, -87.896, 251.431)  ( 55.101, -87.895, 251.433)  ( 0.00,  0.00,  0.00)
170:     torsion ( -1.509,   0.859,   1.795)  ( -1.509,   0.859,   1.795)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-245.506, 211.547,  -7.177)  (-245.500, 211.551,  -7.178)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       (-22.924,  48.489,   2.238)  (-22.916,  48.496,   2.254)  ( 0.03,  0.01,  0.74)
170:     bond    ( 13.208,  12.111,   5.841)  ( 13.216,  12.117,   5.843)  ( 0.06,  0.05,  0.03)
170:     angle   (-43.891,  47.393,   0.985)  (-43.889,  47.395,   0.985)  ( 0.01,  0.00,  0.01)
170:     torsion (  0.664,   0.643,  -2.841)  (  0.664,   0.644,  -2.838)  ( 0.01,  0.01,  0.12)
170:     oop     (  0.018,   0.019,  -0.080)  (  0.016,   0.016,  -0.069)  ( 0.00,  0.01,  0.09)
170:     vdw     (  7.076, -11.676,  -1.667)  (  7.077, -11.676,  -1.667)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       ( -7.837, -44.589,   4.424)  ( -7.833, -44.576,   4.426)  ( 0.06,  0.03,  0.05)
170:     bond    ( -6.253, -34.723,   4.129)  ( -6.253, -34.710,   4.129)  ( 0.00,  0.04,  0.00)
170:     angle   ( -4.590,   0.221,  -5.090)  ( -4.587,   0.221,  -5.088)  ( 0.07,  0.00,  0.05)
170:     torsion (  0.281,  -1.964, -16.082)  (  0.280,  -1.964, -16.083)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.725,  -8.123,  21.468)  (  2.726,  -8.123,  21.468)  ( 0.04,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       (  6.785, -15.171,  48.550)  (  6.791, -15.167,  48.560)  ( 0.08,  0.03,  0.02)
170:     bond    ( 22.381,  13.458,  37.096)  ( 22.384,  13.459,  37.105)  ( 0.01,  0.01,  0.02)
170:     angle   (-15.995,  32.011,  -1.965)  (-15.993,  32.013,  -1.964)  ( 0.01,  0.01,  0.04)
170:     torsion ( -6.680, -21.602,  11.866)  ( -6.681, -21.603,  11.866)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  7.079, -39.037,   1.553)  (  7.080, -39.036,   1.553)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 26       ( 21.953, -18.144, -48.857)  ( 21.956, -18.136, -48.846)  ( 0.01,  0.04,  0.02)
170:     bond    (  8.565, -18.256, -28.608)  (  8.566, -18.252, -28.599)  ( 0.01,  0.02,  0.03)
170:     angle   ( -5.074, -43.418,  26.189)  ( -5.072, -43.416,  26.189)  ( 0.03,  0.01,  0.00)
170:     torsion (  9.100,  -0.002,   2.727)  (  9.100,  -0.002,   2.727)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  9.362,  43.533, -49.165)  (  9.362,  43.534, -49.164)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       (-32.837,  20.876, -23.101)  (-32.827,  20.882, -23.098)  ( 0.03,  0.03,  0.02)
170:     bond    (-33.689,  24.661,  -9.207)  (-33.681,  24.666,  -9.207)  ( 0.03,  0.02,  0.00)
170:     angle   (  4.466,   3.179,  -7.826)  (  4.467,   3.180,  -7.823)  ( 0.03,  0.05,  0.04)
170:     torsion ( -3.400,  -6.881,  -5.998)  ( -3.400,  -6.881,  -5.998)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.214,  -0.083,  -0.070)  ( -0.214,  -0.083,  -0.070)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 28       ( 29.459,  32.359,   5.387)  ( 29.468,  32.365,   5.391)  ( 0.03,  0.02,  0.08)
170:     bond    ( 32.279,  25.004,  10.637)  ( 32.287,  25.009,  10.638)  ( 0.02,  0.02,  0.01)
170:     angle   (  2.262,  -0.130,  -6.570)  (  2.263,  -0.129,  -6.566)  ( 0.04,  0.02,  0.05)
170:     torsion ( -4.847,   5.257,   2.351)  ( -4.847,   5.257,   2.351)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.236,   2.228,  -1.031)  ( -0.236,   2.228,  -1.031)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 29       ( 23.800,  -9.730,  23.722)  ( 23.807,  -9.723,  23.727)  ( 0.03,  0.07,  0.02)
170:     bond    ( 31.491, -22.473,  25.990)  ( 31.497, -22.470,  25.994)  ( 0.02,  0.01,  0.02)
170:     angle   (-10.048, -31.603, -15.144)  (-10.047, -31.601, -15.143)  ( 0.01,  0.01,  0.01)
170:     torsion ( -0.676,   0.286,   1.067)  ( -0.676,   0.286,   1.066)  ( 0.01,  0.00,  0.05)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  3.033,  44.061,  11.809)  (  3.033,  44.062,  11.809)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 30       ( 15.633,  15.357, -37.055)  ( 15.637,  15.361, -37.045)  ( 0.03,  0.02,  0.03)
170:     bond    ( 19.159,  16.724, -32.895)  ( 19.161,  16.726, -32.887)  ( 0.01,  0.01,  0.03)
170:     angle   ( -3.819,  -4.250,  -4.386)  ( -3.817,  -4.248,  -4.385)  ( 0.05,  0.04,  0.03)
170:     torsion ( -1.276,   1.541,   0.040)  ( -1.276,   1.540,   0.040)  ( 0.02,  0.03,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.569,   1.342,   0.187)  (  1.569,   1.342,   0.187)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 31       (-19.753,  28.914,  24.017)  (-19.748,  28.922,  24.022)  ( 0.02,  0.03,  0.02)
170:     bond    (-13.995,  29.540,  23.071)  (-13.993,  29.547,  23.075)  ( 0.01,  0.03,  0.02)
170:     angle   (-27.081,  -2.299, -13.480)  (-27.079,  -2.298, -13.479)  ( 0.01,  0.04,  0.01)
170:     torsion (  0.414,  -1.810,   2.570)  (  0.414,  -1.810,   2.569)  ( 0.00,  0.01,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 20.909,   3.483,  11.857)  ( 20.910,   3.483,  11.857)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 32       (-22.297, -33.757, -28.551)  (-22.289, -33.748, -28.549)  ( 0.03,  0.03,  0.01)
170:     bond    (-25.733, -29.234,  -5.362)  (-25.727, -29.226,  -5.362)  ( 0.02,  0.03,  0.00)
170:     angle   ( 19.085, -16.487,  -1.723)  ( 19.086, -16.485,  -1.721)  ( 0.01,  0.01,  0.11)
170:     torsion (  3.333,   1.004, -21.468)  (  3.333,   1.004, -21.468)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-18.982,  10.960,   0.002)  (-18.982,  10.960,   0.002)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 33       (-12.011,   7.338,  43.758)  (-12.007,   7.343,  43.768)  ( 0.03,  0.07,  0.02)
170:     bond    (-11.801,  20.330,  32.128)  (-11.800,  20.334,  32.137)  ( 0.01,  0.02,  0.03)
170:     angle   ( 16.633,   4.884,   3.016)  ( 16.635,   4.886,   3.016)  ( 0.01,  0.03,  0.03)
170:     torsion ( -7.580, -17.156,   8.071)  ( -7.580, -17.155,   8.072)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -9.262,  -0.721,   0.543)  ( -9.262,  -0.721,   0.543)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 34       ( 11.313,  44.694, -21.813)  ( 11.315,  44.701, -21.804)  ( 0.02,  0.01,  0.04)
170:     bond    ( -1.579,  24.927, -33.437)  ( -1.579,  24.932, -33.428)  ( 0.01,  0.02,  0.03)
170:     angle   ( 11.630,   2.486,   1.305)  ( 11.633,   2.487,   1.306)  ( 0.02,  0.05,  0.05)
170:     torsion (  4.701,  17.021,  12.473)  (  4.701,  17.021,  12.473)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.440,   0.260,  -2.154)  ( -3.440,   0.260,  -2.154)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 35       ( -0.828,  -5.232,  -0.655)  ( -0.821,  -5.219,  -0.641)  ( 0.59,  0.24,  0.91)
170:     bond    ( -3.744,  -5.083,   0.375)  ( -3.739,  -5.074,   0.375)  ( 0.14,  0.19,  0.00)
170:     angle   (  2.261,  -1.631,   0.531)  (  2.264,  -1.629,   0.531)  ( 0.12,  0.08,  0.00)
170:     torsion (  0.141,  -0.201,  -1.325)  (  0.141,  -0.201,  -1.320)  ( 0.00,  0.00,  0.39)
170:     oop     (  0.005,  -0.007,  -0.043)  (  0.004,  -0.005,  -0.034)  ( 0.00,  0.00,  0.04)
170:     vdw     (  0.510,   1.690,  -0.193)  (  0.510,   1.690,  -0.193)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 36       (-26.249,   5.898,  -5.175)  (-26.234,   5.903,  -5.171)  ( 0.06,  0.07,  0.08)
170:     bond    (-29.191,   3.711,  -3.730)  (-29.177,   3.711,  -3.730)  ( 0.05,  0.01,  0.01)
170:     angle   (  0.259,   1.789,  -0.245)  (  0.259,   1.793,  -0.245)  ( 0.00,  0.22,  0.00)
170:     torsion (  0.150,  -0.213,  -1.393)  (  0.150,  -0.213,  -1.388)  ( 0.00,  0.00,  0.34)
170:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.006)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.534,   0.611,   0.186)  (  2.534,   0.612,   0.186)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 37       (-14.760,  22.916,  -4.947)  (-14.755,  22.930,  -4.936)  ( 0.04,  0.06,  0.22)
170:     bond    (-12.077,  26.778,  -5.388)  (-12.074,  26.791,  -5.387)  ( 0.02,  0.05,  0.01)
170:     angle   ( -2.847,  -1.306,  -0.117)  ( -2.843,  -1.305,  -0.117)  ( 0.12,  0.05,  0.00)
170:     torsion ( -0.021,   0.028,   0.184)  ( -0.021,   0.028,   0.189)  ( 0.00,  0.00,  0.09)
170:     oop     (  0.004,  -0.005,  -0.036)  (  0.003,  -0.005,  -0.030)  ( 0.00,  0.00,  0.02)
170:     vdw     (  0.181,  -2.579,   0.409)  (  0.181,  -2.579,   0.409)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 38       (  1.676,   4.570,   2.504)  (  1.683,   4.583,   2.523)  ( 0.40,  0.29,  0.76)
170:     bond    (  3.709,   4.859,  -0.358)  (  3.715,   4.869,  -0.358)  ( 0.15,  0.19,  0.00)
170:     angle   ( -0.235,   0.177,   0.010)  ( -0.232,   0.178,   0.010)  ( 0.06,  0.02,  0.00)
170:     torsion ( -0.300,   0.446,   2.942)  ( -0.300,   0.446,   2.947)  ( 0.00,  0.01,  0.18)
170:     oop     (  0.007,  -0.011,  -0.070)  (  0.006,  -0.009,  -0.056)  ( 0.00,  0.00,  0.10)
170:     vdw     ( -1.505,  -0.901,  -0.020)  ( -1.505,  -0.901,  -0.020)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 39       (346.901, -95.929, -20.455)  (346.888, -95.873, -20.204)  ( 0.00,  0.06,  1.23)
170:     bond    ( 22.848,  82.013,  -8.313)  ( 22.850,  82.033,  -8.313)  ( 0.01,  0.02,  0.00)
170:     angle   ( 43.123, -11.220,   7.821)  ( 43.127, -11.220,   7.821)  ( 0.01,  0.00,  0.00)
170:     torsion (  2.724,  -3.366, -25.736)  (  2.724,  -3.366, -25.730)  ( 0.00,  0.00,  0.02)
170:     oop     (  0.108,  -0.137,  -1.058)  (  0.082,  -0.105,  -0.811)  ( 0.28,  0.44, 23.28)
170:     vdw     (278.098, -163.217,   6.830)  (278.106, -163.215,   6.829)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 28 # gradients 
170: ok 29 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (-163.075, -474.890, -57.206)  (-163.047, -474.859, -57.180)  ( 0.02,  0.01,  0.04)
170:     bond    ( 10.155,  19.969,   0.323)  ( 10.175,  19.991,   0.338)  ( 0.19,  0.11,  0.49)
170:     angle   (-166.513, -477.310, -56.180)  (-166.506, -477.302, -56.172)  ( 0.00,  0.00,  0.01)
170:     torsion (  7.010,  -4.799,  10.158)  (  7.011,  -4.798,  10.160)  ( 0.02,  0.02,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-13.727, -12.750, -11.507)  (-13.727, -12.750, -11.507)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (-185.923,  62.793, 314.602)  (-185.888,  62.822, 314.635)  ( 0.02,  0.05,  0.01)
170:     bond    ( 28.291, -13.551,   9.130)  ( 28.313, -13.535,   9.151)  ( 0.08,  0.11,  0.23)
170:     angle   (-187.741,  52.878, 312.514)  (-187.730,  52.889, 312.523)  ( 0.01,  0.02,  0.00)
170:     torsion (-17.771,  15.168,  -1.323)  (-17.770,  15.170,  -1.320)  ( 0.01,  0.02,  0.21)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.702,   8.298,  -5.719)  ( -8.702,   8.298,  -5.719)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (145.042, 279.559, -217.864)  (145.366, 274.911, -220.980)  ( 0.22,  1.66,  1.43)
170:     bond    (-10.523, -16.759,  19.236)  (-10.498, -16.741,  19.252)  ( 0.24,  0.11,  0.08)
170:     angle   (141.977,  95.083, -322.895)  (141.986,  95.092, -322.885)  ( 0.01,  0.01,  0.00)
170:     torsion ( 12.311, 190.496,  93.133)  ( 12.311, 190.498,  93.135)  ( 0.00,  0.00,  0.00)
170:     oop     ( -1.275,   9.366,   7.168)  ( -0.986,   4.689,   4.023)  (22.68, 49.94, 43.87)
170:     vdw     (  2.553,   1.373, -14.505)  (  2.553,   1.373, -14.505)  ( 0.01,  0.02,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       (-11.121, 280.261, 332.746)  (-11.095, 280.289, 332.776)  ( 0.24,  0.01,  0.01)
170:     bond    (  3.052, -16.442,  -9.180)  (  3.067, -16.423,  -9.158)  ( 0.51,  0.11,  0.24)
170:     angle   (-10.957, 275.042, 333.586)  (-10.947, 275.050, 333.593)  ( 0.08,  0.00,  0.00)
170:     torsion (  2.849,   6.311,  -2.954)  (  2.851,   6.313,  -2.954)  ( 0.06,  0.03,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -6.066,  15.350,  11.294)  ( -6.066,  15.350,  11.295)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-407.180, -1026.420, -543.624)  (-403.176, -1014.002, -526.936)  ( 0.98,  1.21,  3.07)
170:     bond    ( 44.303, -89.317, -58.711)  ( 44.329, -89.299, -58.699)  ( 0.06,  0.02,  0.02)
170:     angle   (-180.234, -528.382, 114.838)  (-180.225, -528.371, 114.849)  ( 0.01,  0.00,  0.01)
170:     torsion (-216.277, -471.062, -553.300)  (-216.275, -471.062, -553.302)  ( 0.00,  0.00,  0.00)
170:     oop     ( -9.806, -26.602, -41.203)  ( -5.841, -14.216, -24.535)  (40.44, 46.56, 40.45)
170:     vdw     (-45.164,  88.944,  -5.248)  (-45.164,  88.946,  -5.248)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (561.543, 698.044, 129.649)  (556.715, 692.073, 124.218)  ( 0.86,  0.86,  4.19)
170:     bond    (-28.103, -57.233,  82.338)  (-28.077, -57.213,  82.346)  ( 0.09,  0.04,  0.01)
179: ok 15001
179: ok 15002
179: ok 15003
179: ok 15004
179: ok 15005
179: ok 15006
179: ok 15007
179: ok 15008
179: ok 15009
179: ok 15010
179: ok 15011
179: ok 15012
179: ok 15013
179: ok 15014
179: ok 15015
179: ok 15016
179: ok 15017
179: ok 15018
179: ok 15019
179: ok 15020
179: ok 15021
179: ok 15022
179: ok 15023
179: ok 15024
179: ok 15025
179: ok 15026
179: ok 15027
179: ok 15028
179: ok 15029
179: ok 15030
179: ok 15031
179: ok 15032
179: ok 15033
179: ok 15034
179: ok 15035
179: ok 15036
179: ok 15037
179: ok 15038
179: ok 15039
179: ok 15040
179: ok 15041
179: ok 15042
179: ok 15043
179: ok 15044
179: ok 15045
179: ok 15046
179: ok 15047
179: ok 15048
179: ok 15049
179: ok 15050
179: ok 15051
179: ok 15052
179: ok 15053
179: ok 15054
179: ok 15055
179: ok 15056
179: ok 15057
179: ok 15058
179: ok 15059
179: ok 15060
179: ok 15061
179: ok 15062
179: ok 15063
179: ok 15064
179: ok 15065
179: ok 15066
179: ok 15067
179: ok 15068
179: ok 15069
179: ok 15070
179: ok 15071
179: ok 15072
179: ok 15073
179: ok 15074
179: ok 15075
179: ok 15076
179: ok 15077
179: ok 15078
179: ok 15079
179: ok 15080
179: ok 15081
179: ok 15082
179: ok 15083
179: ok 15084
179: ok 15085
179: ok 15086
179: ok 15087
179: ok 15088
179: ok 15089
179: ok 15090
179: ok 15091
179: ok 15092
179: ok 15093
179: ok 15094
179: ok 15095
179: ok 15096
179: ok 15097
179: ok 15098
179: ok 15099
179: ok 15100
179: ok 15101
179: ok 15102
179: ok 15103
179: ok 15104
179: ok 15105
179: ok 15106
179: ok 15107
179: ok 15108
179: ok 15109
179: ok 15110
179: ok 15111
179: ok 15112
179: ok 15113
179: ok 15114
179: ok 15115
179: ok 15116
179: ok 15117
179: ok 15118
179: ok 15119
179: ok 15120
179: ok 15121
179: ok 15122
179: ok 15123
179: ok 15124
179: ok 15125
179: ok 15126
179: ok 15127
179: ok 15128
179: ok 15129
179: ok 15130
179: ok 15131
179: ok 15132
179: ok 15133
179: ok 15134
179: ok 15135
179: ok 15136
179: ok 15137
179: ok 15138
179: ok 15139
179: ok 15140
179: ok 15141
179: ok 15142
179: ok 15143
179: ok 15144
179: ok 15145
179: ok 15146
179: ok 15147
179: ok 15148
179: ok 15149
179: ok 15150
179: ok 15151
179: ok 15152
179: ok 15153
179: ok 15154
179: ok 15155
179: ok 15156
179: ok 15157
179: ok 15158
179: ok 15159
179: ok 15160
179: ok 15161
179: ok 15162
179: ok 15163
179: ok 15164
179: ok 15165
179: ok 15166
179: ok 15167
179: ok 15168
179: ok 15169
179: ok 15170
179: ok 15171
179: ok 15172
179: ok 15173
179: ok 15174
179: ok 15175
179: ok 15176
179: ok 15177
179: ok 15178
179: ok 15179
179: ok 15180
179: ok 15181
179: ok 15182
179: ok 15183
179: ok 15184
179: ok 15185
179: ok 15186
179: ok 15187
179: ok 15188
179: ok 15189
179: ok 15190
179: ok 15191
179: ok 15192
179: ok 15193
179: ok 15194
179: ok 15195
179: ok 15196
179: ok 15197
179: ok 15198
179: ok 15199
179: ok 15200
179: ok 15201
179: ok 15202
179: ok 15203
179: ok 15204
179: ok 15205
179: ok 15206
179: ok 15207
179: ok 15208
179: ok 15209
179: ok 15210
179: ok 15211
179: ok 15212
179: ok 15213
179: ok 15214
179: ok 15215
179: ok 15216
179: ok 15217
179: ok 15218
179: ok 15219
179: ok 15220
179: ok 15221
179: ok 15222
179: ok 15223
179: ok 15224
179: ok 15225
179: ok 15226
179: ok 15227
179: ok 15228
179: ok 15229
179: ok 15230
179: ok 15231
179: ok 15232
179: ok 15233
179: ok 15234
179: ok 15235
179: ok 15236
179: ok 15237
179: ok 15238
179: ok 15239
179: ok 15240
179: ok 15241
179: ok 15242
179: ok 15243
179: ok 15244
179: ok 15245
179: ok 15246
179: ok 15247
179: ok 15248
179: ok 15249
179: ok 15250
179: ok 15251
179: ok 15252
179: ok 15253
179: ok 15254
179: ok 15255
179: ok 15256
179: ok 15257
179: ok 15258
179: ok 15259
179: ok 15260
179: ok 15261
179: ok 15262
179: ok 15263
179: ok 15264
179: ok 15265
179: ok 15266
179: ok 15267
179: ok 15268
179: ok 15269
179: ok 15270
179: ok 15271
179: ok 15272
179: ok 15273
179: ok 15274
179: ok 15275
179: ok 15276
179: ok 15277
179: ok 15278
179: ok 15279
179: ok 15280
179: ok 15281
179: ok 15282
179: ok 15283
179: ok 15284
179: ok 15285
179: ok 15286
179: ok 15287
179: ok 15288
179: ok 15289
179: ok 15290
179: ok 15291
179: ok 15292
179: ok 15293
179: ok 15294
179: ok 15295
179: ok 15296
179: ok 15297
179: ok 15298
179: ok 15299
179: ok 15300
179: ok 15301
179: ok 15302
179: ok 15303
179: ok 15304
179: ok 15305
179: ok 15306
179: ok 15307
179: ok 15308
179: ok 15309
179: ok 15310
179: ok 15311
179: ok 15312
179: ok 15313
179: ok 15314
179: ok 15315
179: ok 15316
179: ok 15317
179: ok 15318
179: ok 15319
179: ok 15320
179: ok 15321
179: ok 15322
179: ok 15323
179: ok 15324
179: ok 15325
179: ok 15326
179: ok 15327
179: ok 15328
179: ok 15329
179: ok 15330
179: ok 15331
179: ok 15332
179: ok 15333
179: ok 15334
179: ok 15335
179: ok 15336
179: ok 15337
179: ok 15338
179: ok 15339
179: ok 15340
179: ok 15341
179: ok 15342
179: ok 15343
179: ok 15344
179: ok 15345
179: ok 15346
179: ok 15347
179: ok 15348
179: ok 15349
179: ok 15350
179: ok 15351
179: ok 15352
179: ok 15353
179: ok 15354
179: ok 15355
179: ok 15356
179: ok 15357
179: ok 15358
179: ok 15359
179: ok 15360
179: ok 15361
179: ok 15362
179: ok 15363
179: ok 15364
179: ok 15365
179: ok 15366
179: ok 15367
179: ok 15368
179: ok 15369
179: ok 15370
179: ok 15371
179: ok 15372
179: ok 15373
179: ok 15374
179: ok 15375
179: ok 15376
179: ok 15377
179: ok 15378
179: ok 15379
179: ok 15380
179: ok 15381
179: ok 15382
179: ok 15383
179: ok 15384
179: ok 15385
179: ok 15386
179: ok 15387
179: ok 15388
179: ok 15389
179: ok 15390
179: ok 15391
179: ok 15392
179: ok 15393
179: ok 15394
179: ok 15395
179: ok 15396
179: ok 15397
179: ok 15398
179: ok 15399
179: ok 15400
179: ok 15401
179: ok 15402
179: ok 15403
179: ok 15404
179: ok 15405
179: ok 15406
179: ok 15407
179: ok 15408
179: ok 15409
179: ok 15410
179: ok 15411
179: ok 15412
179: ok 15413
179: ok 15414
179: ok 15415
179: ok 15416
179: ok 15417
179: ok 15418
179: ok 15419
179: ok 15420
179: ok 15421
179: ok 15422
179: ok 15423
179: ok 15424
179: ok 15425
179: ok 15426
179: ok 15427
179: ok 15428
179: ok 15429
179: ok 15430
179: ok 15431
179: ok 15432
179: ok 15433
179: ok 15434
179: ok 15435
179: ok 15436
179: ok 15437
179: ok 15438
179: ok 15439
179: ok 15440
179: ok 15441
179: ok 15442
179: ok 15443
179: ok 15444
179: ok 15445
179: ok 15446
179: ok 15447
179: ok 15448
179: ok 15449
179: ok 15450
179: ok 15451
179: ok 15452
179: ok 15453
179: ok 15454
179: ok 15455
179: ok 15456
179: ok 15457
179: ok 15458
179: ok 15459
179: ok 15460
179: ok 15461
179: ok 15462
179: ok 15463
179: ok 15464
179: ok 15465
179: ok 15466
179: ok 15467
179: ok 15468
179: ok 15469
179: ok 15470
179: ok 15471
179: ok 15472
179: ok 15473
179: ok 15474
179: ok 15475
179: ok 15476
179: ok 15477
179: ok 15478
179: ok 15479
179: ok 15480
179: ok 15481
179: ok 15482
179: ok 15483
179: ok 15484
179: ok 15485
179: ok 15486
179: ok 15487
179: ok 15488
179: ok 15489
179: ok 15490
179: ok 15491
179: ok 15492
179: ok 15493
179: ok 15494
179: ok 15495
179: ok 15496
179: ok 15497
179: ok 15498
179: ok 15499
179: ok 15500
179: ok 15501
179: ok 15502
179: ok 15503
179: ok 15504
179: ok 15505
179: ok 15506
179: ok 15507
179: ok 15508
179: ok 15509
179: ok 15510
179: ok 15511
179: ok 15512
179: ok 15513
179: ok 15514
179: ok 15515
179: ok 15516
179: ok 15517
179: ok 15518
179: ok 15519
179: ok 15520
179: ok 15521
179: ok 15522
179: ok 15523
179: ok 15524
179: ok 15525
179: ok 15526
179: ok 15527
179: ok 15528
179: ok 15529
179: ok 15530
179: ok 15531
179: ok 15532
179: ok 15533
179: ok 15534
179: ok 15535
179: ok 15536
179: ok 15537
179: ok 15538
179: ok 15539
179: ok 15540
179: ok 15541
179: ok 15542
179: ok 15543
179: ok 15544
179: ok 15545
179: ok 15546
179: ok 15547
179: ok 15548
179: ok 15549
179: ok 15550
179: ok 15551
179: ok 15552
179: ok 15553
179: ok 15554
179: ok 15555
179: ok 15556
179: ok 15557
179: ok 15558
179: ok 15559
179: ok 15560
179: ok 15561
179: ok 15562
179: ok 15563
179: ok 15564
179: ok 15565
179: ok 15566
179: ok 15567
179: ok 15568
179: ok 15569
179: ok 15570
179: ok 15571
179: ok 15572
179: ok 15573
179: ok 15574
179: ok 15575
179: ok 15576
179: ok 15577
179: ok 15578
179: ok 15579
179: ok 15580
179: ok 15581
179: ok 15582
179: ok 15583
179: ok 15584
179: ok 15585
179: ok 15586
179: ok 15587
179: ok 15588
179: ok 15589
179: ok 15590
179: ok 15591
179: ok 15592
179: ok 15593
179: ok 15594
179: ok 15595
179: ok 15596
179: ok 15597
179: ok 15598
179: ok 15599
179: ok 15600
179: ok 15601
179: ok 15602
179: ok 15603
179: ok 15604
179: ok 15605
179: ok 15606
179: ok 15607
179: ok 15608
179: ok 15609
179: ok 15610
179: ok 15611
179: ok 15612
179: ok 15613
179: ok 15614
179: ok 15615
179: ok 15616
179: ok 15617
179: ok 15618
179: ok 15619
179: ok 15620
179: ok 15621
179: ok 15622
179: ok 15623
179: ok 15624
179: ok 15625
179: ok 15626
179: ok 15627
179: ok 15628
179: ok 15629
179: ok 15630
179: ok 15631
179: ok 15632
179: ok 15633
179: ok 15634
179: ok 15635
179: ok 15636
179: ok 15637
179: ok 15638
179: ok 15639
179: ok 15640
179: ok 15641
179: ok 15642
179: ok 15643
179: ok 15644
179: ok 15645
179: ok 15646
179: ok 15647
179: ok 15648
179: ok 15649
179: ok 15650
179: ok 15651
179: ok 15652
179: ok 15653
179: ok 15654
179: ok 15655
179: ok 15656
179: ok 15657
179: ok 15658
179: ok 15659
179: ok 15660
179: ok 15661
179: ok 15662
179: ok 15663
179: ok 15664
179: ok 15665
179: ok 15666
179: ok 15667
179: ok 15668
179: ok 15669
179: ok 15670
179: ok 15671
179: ok 15672
179: ok 15673
179: ok 15674
179: ok 15675
179: ok 15676
179: ok 15677
179: ok 15678
179: ok 15679
179: ok 15680
179: ok 15681
179: ok 15682
179: ok 15683
179: ok 15684
179: ok 15685
179: ok 15686
179: ok 15687
179: ok 15688
179: ok 15689
179: ok 15690
179: ok 15691
179: ok 15692
179: ok 15693
179: ok 15694
179: ok 15695
179: ok 15696
179: ok 15697
179: ok 15698
179: ok 15699
179: ok 15700
179: ok 15701
179: ok 15702
179: ok 15703
179: ok 15704
179: ok 15705
179: ok 15706
179: ok 15707
179: ok 15708
179: ok 15709
179: ok 15710
179: ok 15711
179: ok 15712
179: ok 15713
179: ok 15714
179: ok 15715
179: ok 15716
179: ok 15717
179: ok 15718
179: ok 15719
179: ok 15720
179: ok 15721
179: ok 15722
179: ok 15723
179: ok 15724
179: ok 15725
179: ok 15726
179: ok 15727
179: ok 15728
179: ok 15729
179: ok 15730
179: ok 15731
179: ok 15732
179: ok 15733
179: ok 15734
179: ok 15735
179: ok 15736
179: ok 15737
179: ok 15738
179: ok 15739
179: ok 15740
179: ok 15741
179: ok 15742
179: ok 15743
179: ok 15744
179: ok 15745
179: ok 15746
179: ok 15747
179: ok 15748
179: ok 15749
179: ok 15750
179: ok 15751
179: ok 15752
179: ok 15753
179: ok 15754
179: ok 15755
179: ok 15756
179: ok 15757
179: ok 15758
179: ok 15759
179: ok 15760
179: ok 15761
179: ok 15762
179: ok 15763
179: ok 15764
179: ok 15765
179: ok 15766
179: ok 15767
179: ok 15768
179: ok 15769
179: ok 15770
179: ok 15771
179: ok 15772
179: ok 15773
179: ok 15774
179: ok 15775
179: ok 15776
179: ok 15777
179: ok 15778
179: ok 15779
179: ok 15780
179: ok 15781
179: ok 15782
179: ok 15783
179: ok 15784
179: ok 15785
179: ok 15786
179: ok 15787
179: ok 15788
179: ok 15789
179: ok 15790
179: ok 15791
179: ok 15792
179: ok 15793
179: ok 15794
179: ok 15795
179: ok 15796
179: ok 15797
179: ok 15798
179: ok 15799
179: ok 15800
179: ok 15801
179: ok 15802
179: ok 15803
179: ok 15804
179: ok 15805
179: ok 15806
179: ok 15807
179: ok 15808
179: ok 15809
179: ok 15810
179: ok 15811
179: ok 15812
179: ok 15813
179: ok 15814
179: ok 15815
179: ok 15816
179: ok 15817
179: ok 15818
179: ok 15819
179: ok 15820
179: ok 15821
179: ok 15822
179: ok 15823
179: ok 15824
179: ok 15825
179: ok 15826
179: ok 15827
179: ok 15828
179: ok 15829
179: ok 15830
179: ok 15831
179: ok 15832
179: ok 15833
179: ok 15834
179: ok 15835
179: ok 15836
179: ok 15837
179: ok 15838
179: ok 15839
179: ok 15840
179: ok 15841
179: ok 15842
179: ok 15843
179: ok 15844
179: ok 15845
179: ok 15846
179: ok 15847
179: ok 15848
179: ok 15849
179: ok 15850
179: ok 15851
179: ok 15852
179: ok 15853
179: ok 15854
179: ok 15855
179: ok 15856
179: ok 15857
179: ok 15858
179: ok 15859
179: ok 15860
179: ok 15861
179: ok 15862
179: ok 15863
179: ok 15864
179: ok 15865
179: ok 15866
179: ok 15867
179: ok 15868
179: ok 15869
179: ok 15870
179: ok 15871
179: ok 15872
179: ok 15873
179: ok 15874
179: ok 15875
179: ok 15876
179: ok 15877
179: ok 15878
179: ok 15879
179: ok 15880
179: ok 15881
179: ok 15882
179: ok 15883
179: ok 15884
179: ok 15885
179: ok 15886
179: ok 15887
179: ok 15888
179: ok 15889
179: ok 15890
179: ok 15891
179: ok 15892
179: ok 15893
179: ok 15894
179: ok 15895
179: ok 15896
179: ok 15897
179: ok 15898
179: ok 15899
179: ok 15900
179: ok 15901
179: ok 15902
179: ok 15903
179: ok 15904
179: ok 15905
179: ok 15906
179: ok 15907
179: ok 15908
179: ok 15909
179: ok 15910
179: ok 15911
179: ok 15912
179: ok 15913
179: ok 15914
179: ok 15915
179: ok 15916
179: ok 15917
179: ok 15918
179: ok 15919
179: ok 15920
179: ok 15921
179: ok 15922
179: ok 15923
179: ok 15924
179: ok 15925
179: ok 15926
179: ok 15927
179: ok 15928
179: ok 15929
179: ok 15930
179: ok 15931
179: ok 15932
179: ok 15933
179: ok 15934
179: ok 15935
179: ok 15936
179: ok 15937
179: ok 15938
179: ok 15939
179: ok 15940
179: ok 15941
179: ok 15942
179: ok 15943
179: ok 15944
179: ok 15945
179: ok 15946
179: ok 15947
179: ok 15948
179: ok 15949
179: ok 15950
179: ok 15951
179: ok 15952
179: ok 15953
179: ok 15954
179: ok 15955
179: ok 15956
179: ok 15957
179: ok 15958
179: ok 15959
179: ok 15960
179: ok 15961
179: ok 15962
179: ok 15963
179: ok 15964
179: ok 15965
179: ok 15966
179: ok 15967
179: ok 15968
179: ok 15969
179: ok 15970
179: ok 15971
179: ok 15972
179: ok 15973
179: ok 15974
179: ok 15975
179: ok 15976
179: ok 15977
179: ok 15978
179: ok 15979
179: ok 15980
179: ok 15981
179: ok 15982
179: ok 15983
179: ok 15984
179: ok 15985
179: ok 15986
179: ok 15987
179: ok 15988
179: ok 15989
179: ok 15990
179: ok 15991
179: ok 15992
179: ok 15993
179: ok 15994
179: ok 15995
179: ok 15996
179: ok 15997
179: ok 15998
179: ok 15999
179: ok 16000
179: ok 16001
179: ok 16002
179: ok 16003
179: ok 16004
179: ok 16005
179: ok 16006
179: ok 16007
179: ok 16008
179: ok 16009
179: ok 16010
179: ok 16011
179: ok 16012
179: ok 16013
179: ok 16014
179: ok 16015
179: ok 16016
179: ok 16017
179: ok 16018
179: ok 16019
179: ok 16020
179: ok 16021
179: ok 16022
179: ok 16023
179: ok 16024
179: ok 16025
179: ok 16026
179: ok 16027
179: ok 16028
179: ok 16029
179: ok 16030
179: ok 16031
179: ok 16032
179: ok 16033
179: ok 16034
179: ok 16035
179: ok 16036
179: ok 16037
179: ok 16038
179: ok 16039
179: ok 16040
179: ok 16041
179: ok 16042
179: ok 16043
179: ok 16044
179: ok 16045
179: ok 16046
179: ok 16047
179: ok 16048
179: ok 16049
179: ok 16050
179: ok 16051
179: ok 16052
179: ok 16053
179: ok 16054
179: ok 16055
179: ok 16056
179: ok 16057
179: ok 16058
179: ok 16059
179: ok 16060
179: ok 16061
179: ok 16062
179: ok 16063
179: ok 16064
179: ok 16065
179: ok 16066
179: ok 16067
179: ok 16068
179: ok 16069
179: ok 16070
179: ok 16071
179: ok 16072
179: ok 16073
179: ok 16074
179: ok 16075
179: ok 16076
179: ok 16077
179: ok 16078
179: ok 16079
179: ok 16080
179: ok 16081
179: ok 16082
179: ok 16083
179: ok 16084
179: ok 16085
179: ok 16086
179: ok 16087
179: ok 16088
179: ok 16089
179: ok 16090
179: ok 16091
179: ok 16092
179: ok 16093
179: ok 16094
179: ok 16095
179: ok 16096
179: ok 16097
179: ok 16098
179: ok 16099
179: ok 16100
179: ok 16101
179: ok 16102
179: ok 16103
179: ok 16104
179: ok 16105
179: ok 16106
179: ok 16107
179: ok 16108
179: ok 16109
179: ok 16110
179: ok 16111
179: ok 16112
179: ok 16113
179: ok 16114
179: ok 16115
179: ok 16116
179: ok 16117
179: ok 16118
179: ok 16119
179: ok 16120
179: ok 16121
179: ok 16122
179: ok 16123
179: ok 16124
179: ok 16125
179: ok 16126
179: ok 16127
179: ok 16128
179: ok 16129
179: ok 16130
179: ok 16131
179: ok 16132
179: ok 16133
179: ok 16134
179: ok 16135
179: ok 16136
179: ok 16137
179: ok 16138
179: ok 16139
179: ok 16140
179: ok 16141
179: ok 16142
179: ok 16143
179: ok 16144
179: ok 16145
179: ok 16146
179: ok 16147
179: ok 16148
179: ok 16149
179: ok 16150
179: ok 16151
179: ok 16152
179: ok 16153
179: ok 16154
179: ok 16155
179: ok 16156
179: ok 16157
179: ok 16158
179: ok 16159
179: ok 16160
179: ok 16161
179: ok 16162
179: ok 16163
179: ok 16164
179: ok 16165
179: ok 16166
179: ok 16167
179: ok 16168
179: ok 16169
179: ok 16170
179: ok 16171
179: ok 16172
179: ok 16173
179: ok 16174
179: ok 16175
179: ok 16176
179: ok 16177
179: ok 16178
179: ok 16179
179: ok 16180
179: ok 16181
179: ok 16182
179: ok 16183
179: ok 16184
179: ok 16185
179: ok 16186
179: ok 16187
179: ok 16188
179: ok 16189
179: ok 16190
179: ok 16191
179: ok 16192
179: ok 16193
179: ok 16194
179: ok 16195
179: ok 16196
179: ok 16197
179: ok 16198
179: ok 16199
179: ok 16200
179: ok 16201
179: ok 16202
179: ok 16203
179: ok 16204
179: ok 16205
179: ok 16206
179: ok 16207
179: ok 16208
179: ok 16209
179: ok 16210
179: ok 16211
179: ok 16212
179: ok 16213
179: ok 16214
179: ok 16215
179: ok 16216
179: ok 16217
179: ok 16218
179: ok 16219
179: ok 16220
179: ok 16221
179: ok 16222
179: ok 16223
179: ok 16224
179: ok 16225
179: ok 16226
179: ok 16227
179: ok 16228
179: ok 16229
179: ok 16230
179: ok 16231
179: ok 16232
179: ok 16233
179: ok 16234
179: ok 16235
179: ok 16236
179: ok 16237
179: ok 16238
179: ok 16239
179: ok 16240
179: ok 16241
179: ok 16242
179: ok 16243
179: ok 16244
179: ok 16245
179: ok 16246
179: ok 16247
179: ok 16248
179: ok 16249
179: ok 16250
179: ok 16251
179: ok 16252
179: ok 16253
179: ok 16254
179: ok 16255
179: ok 16256
179: ok 16257
179: ok 16258
179: ok 16259
179: ok 16260
179: ok 16261
179: ok 16262
179: ok 16263
179: ok 16264
179: ok 16265
179: ok 16266
179: ok 16267
179: ok 16268
179: ok 16269
179: ok 16270
179: ok 16271
179: ok 16272
179: ok 16273
179: ok 16274
179: ok 16275
179: ok 16276
179: ok 16277
179: ok 16278
179: ok 16279
179: ok 16280
179: ok 16281
179: ok 16282
179: ok 16283
179: ok 16284
179: ok 16285
179: ok 16286
179: ok 16287
179: ok 16288
179: ok 16289
179: ok 16290
179: ok 16291
179: ok 16292
179: ok 16293
179: ok 16294
179: ok 16295
179: ok 16296
179: ok 16297
179: ok 16298
179: ok 16299
179: ok 16300
179: ok 16301
179: ok 16302
179: ok 16303
179: ok 16304
179: ok 16305
179: ok 16306
179: ok 16307
179: ok 16308
179: ok 16309
179: ok 16310
179: ok 16311
179: ok 16312
179: ok 16313
179: ok 16314
179: ok 16315
179: ok 16316
179: ok 16317
179: ok 16318
179: ok 16319
179: ok 16320
179: ok 16321
179: ok 16322
179: ok 16323
179: ok 16324
179: ok 16325
179: ok 16326
179: ok 16327
179: ok 16328
179: ok 16329
179: ok 16330
179: ok 16331
179: ok 16332
179: ok 16333
179: ok 16334
179: ok 16335
179: ok 16336
179: ok 16337
179: ok 16338
179: ok 16339
179: ok 16340
179: ok 16341
179: ok 16342
179: ok 16343
179: ok 16344
179: ok 16345
179: ok 16346
179: ok 16347
179: ok 16348
179: ok 16349
179: ok 16350
179: ok 16351
179: ok 16352
179: ok 16353
179: ok 16354
179: ok 16355
179: ok 16356
179: ok 16357
179: ok 16358
179: ok 16359
179: ok 16360
179: ok 16361
179: ok 16362
179: ok 16363
179: ok 16364
179: ok 16365
179: ok 16366
179: ok 16367
179: ok 16368
179: ok 16369
179: ok 16370
179: ok 16371
179: ok 16372
179: ok 16373
179: ok 16374
179: ok 16375
179: ok 16376
179: ok 16377
179: ok 16378
179: ok 16379
179: ok 16380
179: ok 16381
179: ok 16382
179: ok 16383
179: ok 16384
179: ok 16385
179: ok 16386
179: ok 16387
179: ok 16388
179: ok 16389
179: ok 16390
179: ok 16391
179: ok 16392
179: ok 16393
179: ok 16394
179: ok 16395
179: ok 16396
179: ok 16397
179: ok 16398
179: ok 16399
179: ok 16400
179: ok 16401
179: ok 16402
179: ok 16403
179: ok 16404
179: ok 16405
179: ok 16406
179: ok 16407
179: ok 16408
179: ok 16409
179: ok 16410
179: ok 16411
179: ok 16412
179: ok 16413
179: ok 16414
179: ok 16415
179: ok 16416
179: ok 16417
179: ok 16418
179: ok 16419
179: ok 16420
179: ok 16421
179: ok 16422
179: ok 16423
179: ok 16424
179: ok 16425
179: ok 16426
179: ok 16427
179: ok 16428
179: ok 16429
179: ok 16430
179: ok 16431
179: ok 16432
179: ok 16433
179: ok 16434
179: ok 16435
179: ok 16436
179: ok 16437
179: ok 16438
179: ok 16439
179: ok 16440
179: ok 16441
179: ok 16442
179: ok 16443
179: ok 16444
179: ok 16445
179: ok 16446
179: ok 16447
179: ok 16448
179: ok 16449
179: ok 16450
179: ok 16451
179: ok 16452
179: ok 16453
179: ok 16454
179: ok 16455
179: ok 16456
179: ok 16457
179: ok 16458
179: ok 16459
179: ok 16460
179: ok 16461
179: ok 16462
179: ok 16463
179: ok 16464
179: ok 16465
179: ok 16466
179: ok 16467
179: ok 16468
179: ok 16469
179: ok 16470
179: ok 16471
179: ok 16472
179: ok 16473
179: ok 16474
179: ok 16475
179: ok 16476
179: ok 16477
179: ok 16478
179: ok 16479
179: ok 16480
179: ok 16481
179: ok 16482
179: ok 16483
179: ok 16484
179: ok 16485
179: ok 16486
179: ok 16487
179: ok 16488
179: ok 16489
179: ok 16490
179: ok 16491
179: ok 16492
179: ok 16493
179: ok 16494
179: ok 16495
179: ok 16496
179: ok 16497
179: ok 16498
179: ok 16499
179: ok 16500
179: ok 16501
179: ok 16502
179: ok 16503
179: ok 16504
179: ok 16505
179: ok 16506
179: ok 16507
179: ok 16508
179: ok 16509
179: ok 16510
179: ok 16511
179: ok 16512
179: ok 16513
179: ok 16514
179: ok 16515
179: ok 16516
179: ok 16517
179: ok 16518
179: ok 16519
179: ok 16520
179: ok 16521
179: ok 16522
179: ok 16523
179: ok 16524
179: ok 16525
179: ok 16526
179: ok 16527
179: ok 16528
179: ok 16529
179: ok 16530
179: ok 16531
179: ok 16532
179: ok 16533
179: ok 16534
179: ok 16535
179: ok 16536
179: ok 16537
179: ok 16538
179: ok 16539
179: ok 16540
179: ok 16541
179: ok 16542
179: ok 16543
179: ok 16544
179: ok 16545
179: ok 16546
179: ok 16547
179: ok 16548
179: ok 16549
179: ok 16550
179: ok 16551
179: ok 16552
179: ok 16553
179: ok 16554
179: ok 16555
179: ok 16556
179: ok 16557
179: ok 16558
179: ok 16559
179: ok 16560
179: ok 16561
179: ok 16562
179: ok 16563
179: ok 16564
179: ok 16565
179: ok 16566
179: ok 16567
179: ok 16568
179: ok 16569
179: ok 16570
179: ok 16571
179: ok 16572
179: ok 16573
179: ok 16574
179: ok 16575
179: ok 16576
179: ok 16577
179: ok 16578
179: ok 16579
179: ok 16580
179: ok 16581
179: ok 16582
179: ok 16583
179: ok 16584
179: ok 16585
179: ok 16586
179: ok 16587
179: ok 16588
179: ok 16589
179: ok 16590
179: ok 16591
179: ok 16592
179: ok 16593
179: ok 16594
179: ok 16595
179: ok 16596
179: ok 16597
179: ok 16598
179: ok 16599
179: ok 16600
179: ok 16601
179: ok 16602
179: ok 16603
179: ok 16604
179: ok 16605
179: ok 16606
179: ok 16607
179: ok 16608
179: ok 16609
179: ok 16610
179: ok 16611
179: ok 16612
179: ok 16613
179: ok 16614
179: ok 16615
179: ok 16616
179: ok 16617
179: ok 16618
179: ok 16619
179: ok 16620
179: ok 16621
179: ok 16622
179: ok 16623
179: ok 16624
179: ok 16625
179: ok 16626
179: ok 16627
179: ok 16628
179: ok 16629
179: ok 16630
179: ok 16631
179: ok 16632
179: ok 16633
179: ok 16634
179: ok 16635
179: ok 16636
179: ok 16637
179: ok 16638
179: ok 16639
179: ok 16640
179: ok 16641
179: ok 16642
179: ok 16643
179: ok 16644
179: ok 16645
179: ok 16646
179: ok 16647
179: ok 16648
179: ok 16649
179: ok 16650
179: ok 16651
179: ok 16652
179: ok 16653
179: ok 16654
179: ok 16655
179: ok 16656
179: ok 16657
179: ok 16658
179: ok 16659
179: ok 16660
179: ok 16661
179: ok 16662
179: ok 16663
179: ok 16664
179: ok 16665
179: ok 16666
179: ok 16667
179: ok 16668
179: ok 16669
179: ok 16670
179: ok 16671
179: ok 16672
179: ok 16673
179: ok 16674
179: ok 16675
179: ok 16676
179: ok 16677
179: ok 16678
179: ok 16679
179: ok 16680
179: ok 16681
179: ok 16682
179: ok 16683
179: ok 16684
179: ok 16685
179: ok 16686
179: ok 16687
179: ok 16688
179: ok 16689
179: ok 16690
179: ok 16691
179: ok 16692
179: ok 16693
179: ok 16694
179: ok 16695
179: ok 16696
179: ok 16697
179: ok 16698
179: ok 16699
179: ok 16700
179: ok 16701
179: ok 16702
179: ok 16703
179: ok 16704
179: ok 16705
179: ok 16706
179: ok 16707
179: ok 16708
179: ok 16709
179: ok 16710
179: ok 16711
179: ok 16712
179: ok 16713
179: ok 16714
179: ok 16715
179: ok 16716
179: ok 16717
179: ok 16718
179: ok 16719
179: ok 16720
179: ok 16721
179: ok 16722
179: ok 16723
179: ok 16724
179: ok 16725
179: ok 16726
179: ok 16727
179: ok 16728
179: ok 16729
179: ok 16730
179: ok 16731
179: ok 16732
179: ok 16733
179: ok 16734
179: ok 16735
179: ok 16736
179: ok 16737
179: ok 16738
179: ok 16739
179: ok 16740
179: ok 16741
179: ok 16742
179: ok 16743
179: ok 16744
179: ok 16745
179: ok 16746
179: ok 16747
179: ok 16748
179: ok 16749
179: ok 16750
179: ok 16751
179: ok 16752
179: ok 16753
179: ok 16754
179: ok 16755
179: ok 16756
179: ok 16757
179: ok 16758
179: ok 16759
179: ok 16760
179: ok 16761
179: ok 16762
179: ok 16763
179: ok 16764
179: ok 16765
179: ok 16766
179: ok 16767
179: ok 16768
179: ok 16769
179: ok 16770
179: ok 16771
179: ok 16772
179: ok 16773
179: ok 16774
179: ok 16775
179: ok 16776
179: ok 16777
179: ok 16778
179: ok 16779
179: ok 16780
179: ok 16781
179: ok 16782
179: ok 16783
179: ok 16784
179: ok 16785
179: ok 16786
179: ok 16787
179: ok 16788
179: ok 16789
179: ok 16790
179: ok 16791
179: ok 16792
179: ok 16793
179: ok 16794
179: ok 16795
179: ok 16796
179: ok 16797
179: ok 16798
179: ok 16799
179: ok 16800
179: ok 16801
179: ok 16802
179: ok 16803
179: ok 16804
179: ok 16805
179: ok 16806
179: ok 16807
179: ok 16808
179: ok 16809
179: ok 16810
179: ok 16811
179: ok 16812
179: ok 16813
179: ok 16814
179: ok 16815
179: ok 16816
179: ok 16817
179: ok 16818
179: ok 16819
179: ok 16820
179: ok 16821
179: ok 16822
179: ok 16823
179: ok 16824
179: ok 16825
179: ok 16826
179: ok 16827
179: ok 16828
179: ok 16829
179: ok 16830
179: ok 16831
179: ok 16832
179: ok 16833
179: ok 16834
179: ok 16835
179: ok 16836
179: ok 16837
179: ok 16838
179: ok 16839
179: ok 16840
179: ok 16841
179: ok 16842
179: ok 16843
179: ok 16844
179: ok 16845
179: ok 16846
179: ok 16847
179: ok 16848
179: ok 16849
179: ok 16850
179: ok 16851
179: ok 16852
179: ok 16853
179: ok 16854
179: ok 16855
179: ok 16856
179: ok 16857
179: ok 16858
179: ok 16859
179: ok 16860
179: ok 16861
179: ok 16862
179: ok 16863
179: ok 16864
179: ok 16865
179: ok 16866
179: ok 16867
179: ok 16868
179: ok 16869
179: ok 16870
179: ok 16871
179: ok 16872
179: ok 16873
179: ok 16874
179: ok 16875
179: ok 16876
179: ok 16877
179: ok 16878
179: ok 16879
179: ok 16880
179: ok 16881
179: ok 16882
179: ok 16883
179: ok 16884
179: ok 16885
179: ok 16886
179: ok 16887
179: ok 16888
179: ok 16889
179: ok 16890
179: ok 16891
179: ok 16892
179: ok 16893
179: ok 16894
179: ok 16895
179: ok 16896
179: ok 16897
179: ok 16898
179: ok 16899
179: ok 16900
179: ok 16901
179: ok 16902
179: ok 16903
179: ok 16904
179: ok 16905
179: ok 16906
179: ok 16907
179: ok 16908
179: ok 16909
179: ok 16910
179: ok 16911
179: ok 16912
179: ok 16913
179: ok 16914
179: ok 16915
179: ok 16916
179: ok 16917
179: ok 16918
179: ok 16919
179: ok 16920
179: ok 16921
179: ok 16922
179: ok 16923
179: ok 16924
179: ok 16925
179: ok 16926
179: ok 16927
179: ok 16928
179: ok 16929
179: ok 16930
179: ok 16931
179: ok 16932
179: ok 16933
179: ok 16934
179: ok 16935
179: ok 16936
179: ok 16937
179: ok 16938
179: ok 16939
179: ok 16940
179: ok 16941
179: ok 16942
179: ok 16943
179: ok 16944
179: ok 16945
179: ok 16946
179: ok 16947
179: ok 16948
179: ok 16949
179: ok 16950
179: ok 16951
179: ok 16952
179: ok 16953
179: ok 16954
179: ok 16955
179: ok 16956
179: ok 16957
179: ok 16958
179: ok 16959
179: ok 16960
179: ok 16961
179: ok 16962
179: ok 16963
179: ok 16964
179: ok 16965
179: ok 16966
179: ok 16967
179: ok 16968
179: ok 16969
179: ok 16970
179: ok 16971
179: ok 16972
179: ok 16973
179: ok 16974
179: ok 16975
179: ok 16976
179: ok 16977
179: ok 16978
179: ok 16979
179: ok 16980
179: ok 16981
179: ok 16982
179: ok 16983
179: ok 16984
179: ok 16985
179: ok 16986
179: ok 16987
179: ok 16988
179: ok 16989
179: ok 16990
179: ok 16991
179: ok 16992
179: ok 16993
179: ok 16994
179: ok 16995
179: ok 16996
179: ok 16997
179: ok 16998
179: ok 16999
179: ok 17000
179: ok 17001
179: ok 17002
179: ok 17003
179: ok 17004
179: ok 17005
179: ok 17006
179: ok 17007
179: ok 17008
179: ok 17009
179: ok 17010
179: ok 17011
179: ok 17012
179: ok 17013
179: ok 17014
179: ok 17015
179: ok 17016
179: ok 17017
179: ok 17018
179: ok 17019
179: ok 17020
179: ok 17021
179: ok 17022
179: ok 17023
179: ok 17024
179: ok 17025
179: ok 17026
179: ok 17027
179: ok 17028
179: ok 17029
179: ok 17030
179: ok 17031
179: ok 17032
179: ok 17033
179: ok 17034
179: ok 17035
179: ok 17036
179: ok 17037
179: ok 17038
179: ok 17039
179: ok 17040
179: ok 17041
179: ok 17042
179: ok 17043
179: ok 17044
179: ok 17045
179: ok 17046
179: ok 17047
179: ok 17048
179: ok 17049
179: ok 17050
179: ok 17051
179: ok 17052
179: ok 17053
179: ok 17054
179: ok 17055
179: ok 17056
179: ok 17057
179: ok 17058
179: ok 17059
179: ok 17060
179: ok 17061
179: ok 17062
179: ok 17063
179: ok 17064
179: ok 17065
179: ok 17066
179: ok 17067
179: ok 17068
179: ok 17069
179: ok 17070
179: ok 17071
179: ok 17072
179: ok 17073
179: ok 17074
179: ok 17075
179: ok 17076
179: ok 17077
179: ok 17078
179: ok 17079
179: ok 17080
179: ok 17081
179: ok 17082
179: ok 17083
179: ok 17084
179: ok 17085
179: ok 17086
179: ok 17087
179: ok 17088
179: ok 17089
179: ok 17090
179: ok 17091
179: ok 17092
179: ok 17093
179: ok 17094
179: ok 17095
179: ok 17096
179: ok 17097
179: ok 17098
179: ok 17099
179: ok 17100
179: ok 17101
179: ok 17102
179: ok 17103
179: ok 17104
179: ok 17105
179: ok 17106
179: ok 17107
179: ok 17108
179: ok 17109
179: ok 17110
179: ok 17111
179: ok 17112
179: ok 17113
179: ok 17114
179: ok 17115
179: ok 17116
179: ok 17117
179: ok 17118
179: ok 17119
179: ok 17120
179: ok 17121
179: ok 17122
179: ok 17123
179: ok 17124
179: ok 17125
179: ok 17126
179: ok 17127
179: ok 17128
179: ok 17129
179: ok 17130
179: ok 17131
179: ok 17132
179: ok 17133
179: ok 17134
179: ok 17135
179: ok 17136
179: ok 17137
179: ok 17138
179: ok 17139
179: ok 17140
179: ok 17141
179: ok 17142
179: ok 17143
179: ok 17144
179: ok 17145
179: ok 17146
179: ok 17147
179: ok 17148
179: ok 17149
179: ok 17150
179: ok 17151
179: ok 17152
179: ok 17153
179: ok 17154
179: ok 17155
179: ok 17156
179: ok 17157
179: ok 17158
179: ok 17159
179: ok 17160
179: ok 17161
179: ok 17162
179: ok 17163
179: ok 17164
179: ok 17165
179: ok 17166
179: ok 17167
179: ok 17168
179: ok 17169
179: ok 17170
179: ok 17171
179: ok 17172
179: ok 17173
179: ok 17174
179: ok 17175
179: ok 17176
179: ok 17177
179: ok 17178
179: ok 17179
179: ok 17180
179: ok 17181
179: ok 17182
179: ok 17183
179: ok 17184
179: ok 17185
179: ok 17186
179: ok 17187
179: ok 17188
179: ok 17189
179: ok 17190
179: ok 17191
179: ok 17192
179: ok 17193
179: ok 17194
179: ok 17195
179: ok 17196
179: ok 17197
179: ok 17198
179: ok 17199
179: ok 17200
179: ok 17201
179: ok 17202
179: ok 17203
179: ok 17204
179: ok 17205
179: ok 17206
179: ok 17207
179: ok 17208
179: ok 17209
179: ok 17210
179: ok 17211
179: ok 17212
179: ok 17213
179: ok 17214
179: ok 17215
179: ok 17216
179: ok 17217
179: ok 17218
179: ok 17219
179: ok 17220
179: ok 17221
179: ok 17222
179: ok 17223
179: ok 17224
179: ok 17225
179: ok 17226
179: ok 17227
179: ok 17228
179: ok 17229
179: ok 17230
179: ok 17231
179: ok 17232
179: ok 17233
179: ok 17234
179: ok 17235
179: ok 17236
179: ok 17237
179: ok 17238
179: ok 17239
179: ok 17240
179: ok 17241
179: ok 17242
179: ok 17243
179: ok 17244
179: ok 17245
179: ok 17246
179: ok 17247
179: ok 17248
179: ok 17249
179: ok 17250
179: ok 17251
179: ok 17252
179: ok 17253
179: ok 17254
179: ok 17255
179: ok 17256
179: ok 17257
179: ok 17258
179: ok 17259
179: ok 17260
179: ok 17261
179: ok 17262
179: ok 17263
179: ok 17264
179: ok 17265
179: ok 17266
179: ok 17267
179: ok 17268
179: ok 17269
179: ok 17270
179: ok 17271
179: ok 17272
179: ok 17273
179: ok 17274
179: ok 17275
179: ok 17276
179: ok 17277
179: ok 17278
179: ok 17279
179: ok 17280
179: ok 17281
179: ok 17282
179: ok 17283
179: ok 17284
179: ok 17285
179: ok 17286
179: ok 17287
179: ok 17288
179: ok 17289
179: ok 17290
179: ok 17291
179: ok 17292
179: ok 17293
179: ok 17294
179: ok 17295
179: ok 17296
179: ok 17297
179: ok 17298
179: ok 17299
179: ok 17300
179: ok 17301
179: ok 17302
179: ok 17303
179: ok 17304
179: ok 17305
179: ok 17306
179: ok 17307
179: ok 17308
179: ok 17309
179: ok 17310
179: ok 17311
179: ok 17312
179: ok 17313
179: ok 17314
179: ok 17315
179: ok 17316
179: ok 17317
179: ok 17318
179: ok 17319
179: ok 17320
179: ok 17321
179: ok 17322
179: ok 17323
179: ok 17324
179: ok 17325
179: ok 17326
179: ok 17327
179: ok 17328
179: ok 17329
179: ok 17330
179: ok 17331
179: ok 17332
179: ok 17333
179: ok 17334
179: ok 17335
179: ok 17336
179: ok 17337
179: ok 17338
179: ok 17339
179: ok 17340
179: ok 17341
179: ok 17342
179: ok 17343
179: ok 17344
179: ok 17345
179: ok 17346
179: ok 17347
179: ok 17348
179: ok 17349
179: ok 17350
179: ok 17351
179: ok 17352
179: ok 17353
179: ok 17354
179: ok 17355
179: ok 17356
179: ok 17357
179: ok 17358
179: ok 17359
179: ok 17360
179: ok 17361
179: ok 17362
179: ok 17363
179: ok 17364
179: ok 17365
179: ok 17366
179: ok 17367
179: ok 17368
179: ok 17369
179: ok 17370
179: ok 17371
179: ok 17372
179: ok 17373
179: ok 17374
179: ok 17375
179: ok 17376
179: ok 17377
179: ok 17378
179: ok 17379
179: ok 17380
179: ok 17381
179: ok 17382
179: ok 17383
179: ok 17384
179: ok 17385
179: ok 17386
179: ok 17387
179: ok 17388
179: ok 17389
179: ok 17390
179: ok 17391
179: ok 17392
179: ok 17393
179: ok 17394
179: ok 17395
179: ok 17396
179: ok 17397
179: ok 17398
179: ok 17399
179: ok 17400
179: ok 17401
179: ok 17402
179: ok 17403
179: ok 17404
179: ok 17405
179: ok 17406
179: ok 17407
179: ok 17408
179: ok 17409
179: ok 17410
179: ok 17411
179: ok 17412
179: ok 17413
179: ok 17414
179: ok 17415
179: ok 17416
179: ok 17417
179: ok 17418
179: ok 17419
179: ok 17420
179: ok 17421
179: ok 17422
179: ok 17423
179: ok 17424
179: ok 17425
179: ok 17426
179: ok 17427
179: ok 17428
179: ok 17429
179: ok 17430
179: ok 17431
179: ok 17432
179: ok 17433
179: ok 17434
179: ok 17435
179: ok 17436
179: ok 17437
179: ok 17438
179: ok 17439
179: ok 17440
179: ok 17441
179: ok 17442
179: ok 17443
179: ok 17444
179: ok 17445
179: ok 17446
179: ok 17447
179: ok 17448
179: ok 17449
179: ok 17450
179: ok 17451
179: ok 17452
179: ok 17453
179: ok 17454
179: ok 17455
179: ok 17456
179: ok 17457
179: ok 17458
179: ok 17459
179: ok 17460
179: ok 17461
179: ok 17462
179: ok 17463
179: ok 17464
179: ok 17465
179: ok 17466
179: ok 17467
179: ok 17468
179: ok 17469
179: ok 17470
179: ok 17471
179: ok 17472
179: ok 17473
179: ok 17474
179: ok 17475
179: ok 17476
179: ok 17477
179: ok 17478
179: ok 17479
179: ok 17480
179: ok 17481
179: ok 17482
179: ok 17483
179: ok 17484
179: ok 17485
179: ok 17486
179: ok 17487
179: ok 17488
179: ok 17489
179: ok 17490
179: ok 17491
179: ok 17492
179: ok 17493
179: ok 17494
179: ok 17495
179: ok 17496
179: ok 17497
179: ok 17498
179: ok 17499
179: ok 17500
179: ok 17501
179: ok 17502
179: ok 17503
179: ok 17504
179: ok 17505
179: ok 17506
179: ok 17507
179: ok 17508
179: ok 17509
179: ok 17510
179: ok 17511
179: ok 17512
179: ok 17513
179: ok 17514
179: ok 17515
179: ok 17516
179: ok 17517
179: ok 17518
179: ok 17519
179: ok 17520
179: ok 17521
179: ok 17522
179: ok 17523
179: ok 17524
179: ok 17525
179: ok 17526
179: ok 17527
179: ok 17528
179: ok 17529
179: ok 17530
179: ok 17531
179: ok 17532
179: ok 17533
179: ok 17534
179: ok 17535
179: ok 17536
179: ok 17537
179: ok 17538
179: ok 17539
179: ok 17540
179: ok 17541
179: ok 17542
179: ok 17543
179: ok 17544
179: ok 17545
179: ok 17546
179: ok 17547
179: ok 17548
179: ok 17549
179: ok 17550
179: ok 17551
179: ok 17552
179: ok 17553
179: ok 17554
179: ok 17555
179: ok 17556
179: ok 17557
179: ok 17558
179: ok 17559
179: ok 17560
179: ok 17561
179: ok 17562
179: ok 17563
179: ok 17564
179: ok 17565
179: ok 17566
179: ok 17567
179: ok 17568
179: ok 17569
179: ok 17570
179: ok 17571
179: ok 17572
179: ok 17573
179: ok 17574
179: ok 17575
179: ok 17576
179: ok 17577
179: ok 17578
179: ok 17579
179: ok 17580
179: ok 17581
179: ok 17582
179: ok 17583
179: ok 17584
179: ok 17585
179: ok 17586
179: ok 17587
179: ok 17588
179: ok 17589
179: ok 17590
179: ok 17591
179: ok 17592
179: ok 17593
179: ok 17594
179: ok 17595
179: ok 17596
179: ok 17597
179: ok 17598
179: ok 17599
179: ok 17600
179: ok 17601
179: ok 17602
179: ok 17603
179: ok 17604
179: ok 17605
179: ok 17606
179: ok 17607
179: ok 17608
179: ok 17609
179: ok 17610
179: ok 17611
179: ok 17612
179: ok 17613
179: ok 17614
179: ok 17615
179: ok 17616
179: ok 17617
179: ok 17618
179: ok 17619
179: ok 17620
179: ok 17621
179: ok 17622
179: ok 17623
179: ok 17624
179: ok 17625
179: ok 17626
179: ok 17627
179: ok 17628
179: ok 17629
179: ok 17630
179: ok 17631
179: ok 17632
179: ok 17633
179: ok 17634
179: ok 17635
179: ok 17636
179: ok 17637
179: ok 17638
179: ok 17639
179: ok 17640
179: ok 17641
179: ok 17642
179: ok 17643
179: ok 17644
179: ok 17645
179: ok 17646
179: ok 17647
179: ok 17648
179: ok 17649
179: ok 17650
179: ok 17651
179: ok 17652
179: ok 17653
179: ok 17654
179: ok 17655
179: ok 17656
179: ok 17657
179: ok 17658
179: ok 17659
179: ok 17660
179: ok 17661
179: ok 17662
179: ok 17663
179: ok 17664
179: ok 17665
179: ok 17666
179: ok 17667
179: ok 17668
179: ok 17669
179: ok 17670
179: ok 17671
179: ok 17672
179: ok 17673
179: ok 17674
179: ok 17675
179: ok 17676
179: ok 17677
179: ok 17678
179: ok 17679
179: ok 17680
179: ok 17681
179: ok 17682
179: ok 17683
179: ok 17684
179: ok 17685
179: ok 17686
179: ok 17687
179: ok 17688
179: ok 17689
179: ok 17690
179: ok 17691
179: ok 17692
179: ok 17693
179: ok 17694
179: ok 17695
179: ok 17696
179: ok 17697
179: ok 17698
179: ok 17699
179: ok 17700
179: ok 17701
179: ok 17702
179: ok 17703
179: ok 17704
179: ok 17705
179: ok 17706
179: ok 17707
179: ok 17708
179: ok 17709
179: ok 17710
179: ok 17711
179: ok 17712
179: ok 17713
179: ok 17714
179: ok 17715
179: ok 17716
179: ok 17717
179: ok 17718
179: ok 17719
179: ok 17720
179: ok 17721
179: ok 17722
179: ok 17723
179: ok 17724
179: ok 17725
179: ok 17726
179: ok 17727
179: ok 17728
179: ok 17729
179: ok 17730
179: ok 17731
179: ok 17732
179: ok 17733
179: ok 17734
179: ok 17735
179: ok 17736
179: ok 17737
179: ok 17738
179: ok 17739
179: ok 17740
179: ok 17741
179: ok 17742
179: ok 17743
179: ok 17744
179: ok 17745
179: ok 17746
179: ok 17747
179: ok 17748
179: ok 17749
179: ok 17750
179: ok 17751
179: ok 17752
179: ok 17753
179: ok 17754
179: ok 17755
179: ok 17756
179: ok 17757
179: ok 17758
179: ok 17759
179: ok 17760
179: ok 17761
179: ok 17762
179: ok 17763
179: ok 17764
179: ok 17765
179: ok 17766
179: ok 17767
179: ok 17768
179: ok 17769
179: ok 17770
179: ok 17771
179: ok 17772
179: ok 17773
179: ok 17774
179: ok 17775
179: ok 17776
179: ok 17777
179: ok 17778
179: ok 17779
179: ok 17780
179: ok 17781
179: ok 17782
179: ok 17783
179: ok 17784
179: ok 17785
179: ok 17786
179: ok 17787
179: ok 17788
179: ok 17789
179: ok 17790
179: ok 17791
179: ok 17792
179: ok 17793
179: ok 17794
179: ok 17795
179: ok 17796
179: ok 17797
179: ok 17798
179: ok 17799
179: ok 17800
179: ok 17801
179: ok 17802
179: ok 17803
179: ok 17804
179: ok 17805
179: ok 17806
179: ok 17807
179: ok 17808
179: ok 17809
179: ok 17810
179: ok 17811
179: ok 17812
179: ok 17813
179: ok 17814
179: ok 17815
179: ok 17816
179: ok 17817
179: ok 17818
179: ok 17819
179: ok 17820
179: ok 17821
179: ok 17822
179: ok 17823
179: ok 17824
179: ok 17825
179: ok 17826
179: ok 17827
179: ok 17828
179: ok 17829
179: ok 17830
179: ok 17831
179: ok 17832
179: ok 17833
179: ok 17834
179: ok 17835
179: ok 17836
179: ok 17837
179: ok 17838
179: ok 17839
179: ok 17840
179: ok 17841
179: ok 17842
179: ok 17843
179: ok 17844
179: ok 17845
179: ok 17846
179: ok 17847
179: ok 17848
179: ok 17849
179: ok 17850
179: ok 17851
179: ok 17852
179: ok 17853
179: ok 17854
179: ok 17855
179: ok 17856
179: ok 17857
179: ok 17858
179: ok 17859
179: ok 17860
179: ok 17861
179: ok 17862
179: ok 17863
179: ok 17864
179: ok 17865
179: ok 17866
179: ok 17867
179: ok 17868
179: ok 17869
179: ok 17870
179: ok 17871
179: ok 17872
179: ok 17873
179: ok 17874
179: ok 17875
179: ok 17876
179: ok 17877
179: ok 17878
179: ok 17879
179: ok 17880
179: ok 17881
179: ok 17882
179: ok 17883
179: ok 17884
179: ok 17885
179: ok 17886
179: ok 17887
179: ok 17888
179: ok 17889
179: ok 17890
179: ok 17891
179: ok 17892
179: ok 17893
179: ok 17894
179: ok 17895
179: ok 17896
179: ok 17897
179: ok 17898
179: ok 17899
179: ok 17900
179: ok 17901
179: ok 17902
179: ok 17903
179: ok 17904
179: ok 17905
179: ok 17906
179: ok 17907
179: ok 17908
179: ok 17909
179: ok 17910
179: ok 17911
179: ok 17912
179: ok 17913
179: ok 17914
179: ok 17915
179: ok 17916
179: ok 17917
179: ok 17918
179: ok 17919
179: ok 17920
179: ok 17921
179: ok 17922
179: ok 17923
179: ok 17924
179: ok 17925
179: ok 17926
179: ok 17927
179: ok 17928
179: ok 17929
179: ok 17930
179: ok 17931
179: ok 17932
179: ok 17933
179: ok 17934
179: ok 17935
179: ok 17936
179: ok 17937
179: ok 17938
179: ok 17939
179: ok 17940
179: ok 17941
179: ok 17942
179: ok 17943
179: ok 17944
179: ok 17945
179: ok 17946
179: ok 17947
179: ok 17948
179: ok 17949
179: ok 17950
179: ok 17951
179: ok 17952
179: ok 17953
179: ok 17954
179: ok 17955
179: ok 17956
179: ok 17957
179: ok 17958
179: ok 17959
179: ok 17960
179: ok 17961
179: ok 17962
179: ok 17963
179: ok 17964
179: ok 17965
179: ok 17966
179: ok 17967
179: ok 17968
179: ok 17969
179: ok 17970
179: ok 17971
179: ok 17972
179: ok 17973
179: ok 17974
179: ok 17975
179: ok 17976
179: ok 17977
179: ok 17978
179: ok 17979
179: ok 17980
179: ok 17981
179: ok 17982
179: ok 17983
179: ok 17984
179: ok 17985
179: ok 17986
179: ok 17987
179: ok 17988
179: ok 17989
179: ok 17990
179: ok 17991
179: ok 17992
179: ok 17993
179: ok 17994
179: ok 17995
179: ok 17996
179: ok 17997
179: ok 17998
179: ok 17999
179: ok 18000
179: ok 18001
179: ok 18002
179: ok 18003
179: ok 18004
179: ok 18005
179: ok 18006
179: ok 18007
179: ok 18008
179: ok 18009
179: ok 18010
179: ok 18011
179: ok 18012
179: ok 18013
179: ok 18014
179: ok 18015
179: ok 18016
179: ok 18017
179: ok 18018
179: ok 18019
179: ok 18020
179: ok 18021
179: ok 18022
179: ok 18023
179: ok 18024
179: ok 18025
179: ok 18026
179: ok 18027
179: ok 18028
179: ok 18029
179: ok 18030
179: ok 18031
179: ok 18032
179: ok 18033
179: ok 18034
179: ok 18035
179: ok 18036
179: ok 18037
179: ok 18038
179: ok 18039
179: ok 18040
179: ok 18041
179: ok 18042
179: ok 18043
179: ok 18044
179: ok 18045
179: ok 18046
179: ok 18047
179: ok 18048
179: ok 18049
179: ok 18050
179: ok 18051
179: ok 18052
179: ok 18053
179: ok 18054
179: ok 18055
179: ok 18056
179: ok 18057
179: ok 18058
179: ok 18059
179: ok 18060
179: ok 18061
179: ok 18062
179: ok 18063
179: ok 18064
179: ok 18065
179: ok 18066
179: ok 18067
179: ok 18068
179: ok 18069
179: ok 18070
179: ok 18071
179: ok 18072
179: ok 18073
179: ok 18074
179: ok 18075
179: ok 18076
179: ok 18077
179: ok 18078
179: ok 18079
179: ok 18080
179: ok 18081
179: ok 18082
179: ok 18083
179: ok 18084
179: ok 18085
179: ok 18086
179: ok 18087
179: ok 18088
179: ok 18089
179: ok 18090
179: ok 18091
179: ok 18092
179: ok 18093
179: ok 18094
179: ok 18095
179: ok 18096
179: ok 18097
179: ok 18098
179: ok 18099
179: ok 18100
179: ok 18101
179: ok 18102
179: ok 18103
179: ok 18104
179: ok 18105
179: ok 18106
179: ok 18107
179: ok 18108
179: ok 18109
179: ok 18110
179: ok 18111
179: ok 18112
179: ok 18113
179: ok 18114
179: ok 18115
179: ok 18116
179: ok 18117
179: ok 18118
179: ok 18119
179: ok 18120
179: ok 18121
179: ok 18122
179: ok 18123
179: ok 18124
179: ok 18125
179: ok 18126
179: ok 18127
179: ok 18128
179: ok 18129
179: ok 18130
179: ok 18131
179: ok 18132
179: ok 18133
179: ok 18134
179: ok 18135
179: ok 18136
179: ok 18137
179: ok 18138
179: ok 18139
179: ok 18140
179: ok 18141
179: ok 18142
179: ok 18143
179: ok 18144
179: ok 18145
179: ok 18146
179: ok 18147
179: ok 18148
179: ok 18149
179: ok 18150
179: ok 18151
179: ok 18152
179: ok 18153
179: ok 18154
179: ok 18155
179: ok 18156
179: ok 18157
179: ok 18158
179: ok 18159
179: ok 18160
179: ok 18161
179: ok 18162
179: ok 18163
179: ok 18164
179: ok 18165
179: ok 18166
179: ok 18167
179: ok 18168
179: ok 18169
179: ok 18170
179: ok 18171
179: ok 18172
179: ok 18173
179: ok 18174
179: ok 18175
179: ok 18176
179: ok 18177
179: ok 18178
179: ok 18179
179: ok 18180
179: ok 18181
179: ok 18182
179: ok 18183
179: ok 18184
179: ok 18185
179: ok 18186
179: ok 18187
179: ok 18188
179: ok 18189
179: ok 18190
179: ok 18191
179: ok 18192
179: ok 18193
179: ok 18194
179: ok 18195
179: ok 18196
179: ok 18197
179: ok 18198
179: ok 18199
179: ok 18200
179: ok 18201
179: ok 18202
179: ok 18203
179: ok 18204
179: ok 18205
179: ok 18206
179: ok 18207
179: ok 18208
179: ok 18209
179: ok 18210
179: ok 18211
179: ok 18212
179: ok 18213
179: ok 18214
179: ok 18215
179: ok 18216
179: ok 18217
179: ok 18218
179: ok 18219
179: ok 18220
179: ok 18221
179: ok 18222
179: ok 18223
179: ok 18224
179: ok 18225
179: ok 18226
179: ok 18227
179: ok 18228
179: ok 18229
179: ok 18230
179: ok 18231
179: ok 18232
179: ok 18233
179: ok 18234
179: ok 18235
179: ok 18236
179: ok 18237
179: ok 18238
179: ok 18239
179: ok 18240
179: ok 18241
179: ok 18242
179: ok 18243
179: ok 18244
179: ok 18245
179: ok 18246
179: ok 18247
179: ok 18248
179: ok 18249
179: ok 18250
179: ok 18251
179: ok 18252
179: ok 18253
179: ok 18254
179: ok 18255
179: ok 18256
179: ok 18257
179: ok 18258
179: ok 18259
179: ok 18260
179: ok 18261
179: ok 18262
179: ok 18263
179: ok 18264
179: ok 18265
179: ok 18266
179: ok 18267
179: ok 18268
179: ok 18269
179: ok 18270
179: ok 18271
179: ok 18272
179: ok 18273
179: ok 18274
179: ok 18275
179: ok 18276
179: ok 18277
179: ok 18278
179: ok 18279
179: ok 18280
179: ok 18281
179: ok 18282
179: ok 18283
179: ok 18284
179: ok 18285
179: ok 18286
179: ok 18287
179: ok 18288
179: ok 18289
179: ok 18290
179: ok 18291
179: ok 18292
179: ok 18293
179: ok 18294
179: ok 18295
179: ok 18296
179: ok 18297
179: ok 18298
179: ok 18299
179: ok 18300
179: ok 18301
179: ok 18302
179: ok 18303
179: ok 18304
179: ok 18305
179: ok 18306
179: ok 18307
179: ok 18308
179: ok 18309
179: ok 18310
179: ok 18311
179: ok 18312
179: ok 18313
179: ok 18314
179: ok 18315
179: ok 18316
179: ok 18317
179: ok 18318
179: ok 18319
179: ok 18320
179: ok 18321
179: ok 18322
179: ok 18323
179: ok 18324
179: ok 18325
179: ok 18326
179: ok 18327
179: ok 18328
179: ok 18329
179: ok 18330
179: ok 18331
179: ok 18332
179: ok 18333
179: ok 18334
179: ok 18335
179: ok 18336
179: ok 18337
179: ok 18338
179: ok 18339
179: ok 18340
179: ok 18341
179: ok 18342
179: ok 18343
179: ok 18344
179: ok 18345
179: ok 18346
179: ok 18347
179: ok 18348
179: ok 18349
179: ok 18350
179: ok 18351
179: ok 18352
179: ok 18353
179: ok 18354
179: ok 18355
179: ok 18356
179: ok 18357
179: ok 18358
179: ok 18359
179: ok 18360
179: ok 18361
179: ok 18362
179: ok 18363
179: ok 18364
179: ok 18365
179: ok 18366
179: ok 18367
179: ok 18368
179: ok 18369
179: ok 18370
179: ok 18371
179: ok 18372
179: ok 18373
179: ok 18374
179: ok 18375
179: ok 18376
179: ok 18377
179: ok 18378
179: ok 18379
179: ok 18380
179: ok 18381
179: ok 18382
179: ok 18383
179: ok 18384
179: ok 18385
179: ok 18386
179: ok 18387
179: ok 18388
179: ok 18389
179: ok 18390
179: ok 18391
179: ok 18392
179: ok 18393
179: ok 18394
179: ok 18395
179: ok 18396
179: ok 18397
179: ok 18398
179: ok 18399
179: ok 18400
179: ok 18401
179: ok 18402
179: ok 18403
179: ok 18404
179: ok 18405
179: ok 18406
179: ok 18407
179: ok 18408
179: ok 18409
179: ok 18410
179: ok 18411
179: ok 18412
179: ok 18413
179: ok 18414
179: ok 18415
179: ok 18416
179: ok 18417
179: ok 18418
179: ok 18419
179: ok 18420
179: ok 18421
179: ok 18422
179: ok 18423
179: ok 18424
179: ok 18425
179: ok 18426
179: ok 18427
179: ok 18428
179: ok 18429
179: ok 18430
179: ok 18431
179: ok 18432
179: ok 18433
179: ok 18434
179: ok 18435
179: ok 18436
179: ok 18437
179: ok 18438
179: ok 18439
179: ok 18440
179: ok 18441
179: ok 18442
179: ok 18443
179: ok 18444
179: ok 18445
179: ok 18446
179: ok 18447
179: ok 18448
179: ok 18449
179: ok 18450
179: ok 18451
179: ok 18452
179: ok 18453
179: ok 18454
179: ok 18455
179: ok 18456
179: ok 18457
179: ok 18458
179: ok 18459
179: ok 18460
179: ok 18461
179: ok 18462
179: ok 18463
179: ok 18464
179: ok 18465
179: ok 18466
179: ok 18467
179: ok 18468
179: ok 18469
179: ok 18470
179: ok 18471
179: ok 18472
179: ok 18473
179: ok 18474
179: ok 18475
179: ok 18476
179: ok 18477
179: ok 18478
179: ok 18479
179: ok 18480
179: ok 18481
179: ok 18482
179: ok 18483
179: ok 18484
179: ok 18485
179: ok 18486
179: ok 18487
179: ok 18488
179: ok 18489
179: ok 18490
179: ok 18491
179: ok 18492
179: ok 18493
179: ok 18494
179: ok 18495
179: ok 18496
179: ok 18497
179: ok 18498
179: ok 18499
179: ok 18500
179: ok 18501
179: ok 18502
179: ok 18503
179: ok 18504
179: ok 18505
179: ok 18506
179: ok 18507
179: ok 18508
179: ok 18509
179: ok 18510
179: ok 18511
179: ok 18512
179: ok 18513
179: ok 18514
179: ok 18515
179: ok 18516
179: ok 18517
179: ok 18518
179: ok 18519
179: ok 18520
179: ok 18521
179: ok 18522
179: ok 18523
179: ok 18524
179: ok 18525
179: ok 18526
179: ok 18527
179: ok 18528
179: ok 18529
179: ok 18530
179: ok 18531
179: ok 18532
179: ok 18533
179: ok 18534
179: ok 18535
179: ok 18536
179: ok 18537
179: ok 18538
179: ok 18539
179: ok 18540
179: ok 18541
179: ok 18542
179: ok 18543
179: ok 18544
179: ok 18545
179: ok 18546
179: ok 18547
179: ok 18548
179: ok 18549
179: ok 18550
179: ok 18551
179: ok 18552
179: ok 18553
179: ok 18554
179: ok 18555
179: ok 18556
179: ok 18557
179: ok 18558
179: ok 18559
179: ok 18560
179: ok 18561
179: ok 18562
179: ok 18563
179: ok 18564
179: ok 18565
179: ok 18566
179: ok 18567
179: ok 18568
179: ok 18569
179: ok 18570
179: ok 18571
179: ok 18572
179: ok 18573
179: ok 18574
179: ok 18575
179: ok 18576
179: ok 18577
179: ok 18578
179: ok 18579
179: ok 18580
179: ok 18581
179: ok 18582
179: ok 18583
179: ok 18584
179: ok 18585
179: ok 18586
179: ok 18587
179: ok 18588
179: ok 18589
179: ok 18590
179: ok 18591
179: ok 18592
179: ok 18593
179: ok 18594
179: ok 18595
179: ok 18596
179: ok 18597
179: ok 18598
179: ok 18599
179: ok 18600
179: ok 18601
179: ok 18602
179: ok 18603
179: ok 18604
179: ok 18605
179: ok 18606
179: ok 18607
179: ok 18608
179: ok 18609
179: ok 18610
179: ok 18611
179: ok 18612
179: ok 18613
179: ok 18614
179: ok 18615
179: ok 18616
179: ok 18617
179: ok 18618
179: ok 18619
179: ok 18620
179: ok 18621
179: ok 18622
179: ok 18623
179: ok 18624
179: ok 18625
179: ok 18626
179: ok 18627
179: ok 18628
179: ok 18629
179: ok 18630
179: ok 18631
179: ok 18632
179: ok 18633
179: ok 18634
179: ok 18635
179: ok 18636
179: ok 18637
179: ok 18638
179: ok 18639
179: ok 18640
179: ok 18641
179: ok 18642
179: ok 18643
179: ok 18644
179: ok 18645
179: ok 18646
179: ok 18647
179: ok 18648
179: ok 18649
179: ok 18650
179: ok 18651
179: ok 18652
179: ok 18653
179: ok 18654
179: ok 18655
179: ok 18656
179: ok 18657
179: ok 18658
179: ok 18659
179: ok 18660
179: ok 18661
179: ok 18662
179: ok 18663
179: ok 18664
179: ok 18665
179: ok 18666
179: ok 18667
179: ok 18668
179: ok 18669
179: ok 18670
179: ok 18671
179: ok 18672
179: ok 18673
179: ok 18674
179: ok 18675
179: ok 18676
179: ok 18677
179: ok 18678
179: ok 18679
179: ok 18680
179: ok 18681
179: ok 18682
179: ok 18683
179: ok 18684
179: ok 18685
179: ok 18686
179: ok 18687
179: ok 18688
179: ok 18689
179: ok 18690
179: ok 18691
179: ok 18692
179: ok 18693
179: ok 18694
179: ok 18695
179: ok 18696
179: ok 18697
179: ok 18698
179: ok 18699
179: ok 18700
179: ok 18701
179: ok 18702
179: ok 18703
179: ok 18704
179: ok 18705
179: ok 18706
179: ok 18707
179: ok 18708
179: ok 18709
179: ok 18710
179: ok 18711
179: ok 18712
179: ok 18713
179: ok 18714
179: ok 18715
179: ok 18716
179: ok 18717
179: ok 18718
179: ok 18719
179: ok 18720
179: ok 18721
179: ok 18722
179: ok 18723
179: ok 18724
179: ok 18725
179: ok 18726
179: ok 18727
179: ok 18728
179: ok 18729
179: ok 18730
179: ok 18731
179: ok 18732
179: ok 18733
179: ok 18734
179: ok 18735
179: ok 18736
179: ok 18737
179: ok 18738
179: ok 18739
179: ok 18740
179: ok 18741
179: ok 18742
179: ok 18743
179: ok 18744
179: ok 18745
179: ok 18746
179: ok 18747
179: ok 18748
179: ok 18749
179: ok 18750
179: ok 18751
179: ok 18752
179: ok 18753
179: ok 18754
179: ok 18755
179: ok 18756
179: ok 18757
179: ok 18758
179: ok 18759
179: ok 18760
179: ok 18761
179: ok 18762
179: ok 18763
179: ok 18764
179: ok 18765
179: ok 18766
179: ok 18767
179: ok 18768
179: ok 18769
179: ok 18770
179: ok 18771
179: ok 18772
179: ok 18773
179: ok 18774
179: ok 18775
179: ok 18776
179: ok 18777
179: ok 18778
179: ok 18779
179: ok 18780
179: ok 18781
179: ok 18782
179: ok 18783
179: ok 18784
179: ok 18785
179: ok 18786
179: ok 18787
179: ok 18788
179: ok 18789
179: ok 18790
179: ok 18791
179: ok 18792
179: ok 18793
179: ok 18794
179: ok 18795
179: ok 18796
179: ok 18797
179: ok 18798
179: ok 18799
179: ok 18800
179: ok 18801
179: ok 18802
179: ok 18803
179: ok 18804
179: ok 18805
179: ok 18806
179: ok 18807
179: ok 18808
179: ok 18809
179: ok 18810
179: ok 18811
179: ok 18812
179: ok 18813
179: ok 18814
179: ok 18815
179: ok 18816
179: ok 18817
179: ok 18818
179: ok 18819
179: ok 18820
179: ok 18821
179: ok 18822
179: ok 18823
179: ok 18824
179: ok 18825
179: ok 18826
179: ok 18827
179: ok 18828
179: ok 18829
179: ok 18830
179: ok 18831
179: ok 18832
179: ok 18833
179: ok 18834
179: ok 18835
179: ok 18836
179: ok 18837
179: ok 18838
179: ok 18839
179: ok 18840
179: ok 18841
179: ok 18842
179: ok 18843
179: ok 18844
179: ok 18845
179: ok 18846
179: ok 18847
179: ok 18848
179: ok 18849
179: ok 18850
179: ok 18851
179: ok 18852
179: ok 18853
179: ok 18854
179: ok 18855
179: ok 18856
179: ok 18857
179: ok 18858
179: ok 18859
179: ok 18860
179: ok 18861
179: ok 18862
179: ok 18863
179: ok 18864
179: ok 18865
179: ok 18866
179: ok 18867
179: ok 18868
179: ok 18869
179: ok 18870
179: ok 18871
179: ok 18872
179: ok 18873
179: ok 18874
179: ok 18875
179: ok 18876
179: ok 18877
179: ok 18878
179: ok 18879
179: ok 18880
179: ok 18881
179: ok 18882
179: ok 18883
179: ok 18884
179: ok 18885
179: ok 18886
179: ok 18887
179: ok 18888
179: ok 18889
179: ok 18890
179: ok 18891
179: ok 18892
179: ok 18893
179: ok 18894
179: ok 18895
179: ok 18896
179: ok 18897
179: ok 18898
179: ok 18899
179: ok 18900
179: ok 18901
179: ok 18902
179: ok 18903
179: ok 18904
179: ok 18905
179: ok 18906
179: ok 18907
179: ok 18908
179: ok 18909
179: ok 18910
179: ok 18911
179: ok 18912
179: ok 18913
179: ok 18914
179: ok 18915
179: ok 18916
179: ok 18917
179: ok 18918
179: ok 18919
179: ok 18920
179: ok 18921
179: ok 18922
179: ok 18923
179: ok 18924
179: ok 18925
179: ok 18926
179: ok 18927
179: ok 18928
179: ok 18929
179: ok 18930
179: ok 18931
179: ok 18932
179: ok 18933
179: ok 18934
179: ok 18935
179: ok 18936
179: ok 18937
179: ok 18938
179: ok 18939
179: ok 18940
179: ok 18941
179: ok 18942
179: ok 18943
179: ok 18944
179: ok 18945
179: ok 18946
179: ok 18947
179: ok 18948
179: ok 18949
179: ok 18950
179: ok 18951
179: ok 18952
179: ok 18953
179: ok 18954
179: ok 18955
179: ok 18956
179: ok 18957
179: ok 18958
179: ok 18959
179: ok 18960
179: ok 18961
179: ok 18962
179: ok 18963
179: ok 18964
179: ok 18965
179: ok 18966
179: ok 18967
179: ok 18968
179: ok 18969
179: ok 18970
179: ok 18971
179: ok 18972
179: ok 18973
179: ok 18974
179: ok 18975
179: ok 18976
179: ok 18977
179: ok 18978
179: ok 18979
179: ok 18980
179: ok 18981
179: ok 18982
179: ok 18983
179: ok 18984
179: ok 18985
179: ok 18986
179: ok 18987
179: ok 18988
179: ok 18989
179: ok 18990
179: ok 18991
179: ok 18992
179: ok 18993
179: ok 18994
179: ok 18995
179: ok 18996
179: ok 18997
179: ok 18998
179: ok 18999
179: ok 19000
179: ok 19001
179: ok 19002
179: ok 19003
179: ok 19004
179: ok 19005
179: ok 19006
179: ok 19007
179: ok 19008
179: ok 19009
179: ok 19010
179: ok 19011
179: ok 19012
179: ok 19013
179: ok 19014
179: ok 19015
179: ok 19016
179: ok 19017
179: ok 19018
179: ok 19019
179: ok 19020
179: ok 19021
179: ok 19022
179: ok 19023
179: ok 19024
179: ok 19025
179: ok 19026
179: ok 19027
179: ok 19028
179: ok 19029
179: ok 19030
179: ok 19031
179: ok 19032
179: ok 19033
179: ok 19034
179: ok 19035
179: ok 19036
179: ok 19037
179: ok 19038
179: ok 19039
179: ok 19040
179: ok 19041
179: ok 19042
179: ok 19043
179: ok 19044
179: ok 19045
179: ok 19046
179: ok 19047
179: ok 19048
179: ok 19049
179: ok 19050
179: ok 19051
179: ok 19052
179: ok 19053
179: ok 19054
179: ok 19055
179: ok 19056
179: ok 19057
179: ok 19058
179: ok 19059
179: ok 19060
179: ok 19061
179: ok 19062
179: ok 19063
179: ok 19064
179: ok 19065
179: ok 19066
179: ok 19067
179: ok 19068
179: ok 19069
179: ok 19070
179: ok 19071
179: ok 19072
179: ok 19073
179: ok 19074
179: ok 19075
179: ok 19076
179: ok 19077
179: ok 19078
179: ok 19079
179: ok 19080
179: ok 19081
179: ok 19082
179: ok 19083
179: ok 19084
179: ok 19085
179: ok 19086
179: ok 19087
179: ok 19088
179: ok 19089
179: ok 19090
179: ok 19091
179: ok 19092
179: ok 19093
179: ok 19094
179: ok 19095
179: ok 19096
179: ok 19097
179: ok 19098
179: ok 19099
179: ok 19100
179: ok 19101
179: ok 19102
179: ok 19103
179: ok 19104
179: ok 19105
179: ok 19106
179: ok 19107
179: ok 19108
179: ok 19109
179: ok 19110
179: ok 19111
179: ok 19112
179: ok 19113
179: ok 19114
179: ok 19115
179: ok 19116
179: ok 19117
179: ok 19118
179: ok 19119
179: ok 19120
179: ok 19121
179: ok 19122
179: ok 19123
179: ok 19124
179: ok 19125
179: ok 19126
179: ok 19127
179: ok 19128
179: ok 19129
179: ok 19130
179: ok 19131
179: ok 19132
179: ok 19133
179: ok 19134
179: ok 19135
179: ok 19136
179: ok 19137
179: ok 19138
179: ok 19139
179: ok 19140
179: ok 19141
179: ok 19142
179: ok 19143
179: ok 19144
179: ok 19145
179: ok 19146
179: ok 19147
179: ok 19148
179: ok 19149
179: ok 19150
179: ok 19151
179: ok 19152
179: ok 19153
179: ok 19154
179: ok 19155
179: ok 19156
179: ok 19157
179: ok 19158
179: ok 19159
179: ok 19160
179: ok 19161
179: ok 19162
179: ok 19163
179: ok 19164
179: ok 19165
179: ok 19166
179: ok 19167
179: ok 19168
179: ok 19169
179: ok 19170
179: ok 19171
179: ok 19172
179: ok 19173
179: ok 19174
179: ok 19175
179: ok 19176
179: ok 19177
179: ok 19178
179: ok 19179
179: ok 19180
179: ok 19181
179: ok 19182
179: ok 19183
179: ok 19184
179: ok 19185
179: ok 19186
179: ok 19187
179: ok 19188
179: ok 19189
179: ok 19190
179: ok 19191
179: ok 19192
179: ok 19193
179: ok 19194
179: ok 19195
179: ok 19196
179: ok 19197
179: ok 19198
179: ok 19199
179: ok 19200
179: ok 19201
179: ok 19202
179: ok 19203
179: ok 19204
179: ok 19205
179: ok 19206
179: ok 19207
179: ok 19208
179: ok 19209
179: ok 19210
179: ok 19211
179: ok 19212
179: ok 19213
179: ok 19214
179: ok 19215
179: ok 19216
179: ok 19217
179: ok 19218
179: ok 19219
179: ok 19220
179: ok 19221
179: ok 19222
179: ok 19223
179: ok 19224
179: ok 19225
179: ok 19226
179: ok 19227
179: ok 19228
179: ok 19229
179: ok 19230
179: ok 19231
179: ok 19232
179: ok 19233
179: ok 19234
179: ok 19235
179: ok 19236
179: ok 19237
179: ok 19238
179: ok 19239
179: ok 19240
179: ok 19241
179: ok 19242
179: ok 19243
179: ok 19244
179: ok 19245
179: ok 19246
179: ok 19247
179: ok 19248
179: ok 19249
179: ok 19250
179: ok 19251
179: ok 19252
179: ok 19253
179: ok 19254
179: ok 19255
179: ok 19256
179: ok 19257
179: ok 19258
179: ok 19259
179: ok 19260
179: ok 19261
179: ok 19262
179: ok 19263
179: ok 19264
179: ok 19265
179: ok 19266
179: ok 19267
179: ok 19268
179: ok 19269
179: ok 19270
179: ok 19271
179: ok 19272
179: ok 19273
179: ok 19274
179: ok 19275
179: ok 19276
179: ok 19277
179: ok 19278
179: ok 19279
179: ok 19280
179: ok 19281
179: ok 19282
179: ok 19283
179: ok 19284
179: ok 19285
179: ok 19286
179: ok 19287
179: ok 19288
179: ok 19289
179: ok 19290
179: ok 19291
179: ok 19292
179: ok 19293
179: ok 19294
179: ok 19295
179: ok 19296
179: ok 19297
179: ok 19298
179: ok 19299
179: ok 19300
179: ok 19301
179: ok 19302
179: ok 19303
179: ok 19304
179: ok 19305
179: ok 19306
179: ok 19307
179: ok 19308
179: ok 19309
179: ok 19310
179: ok 19311
179: ok 19312
179: ok 19313
179: ok 19314
179: ok 19315
179: ok 19316
179: ok 19317
179: ok 19318
179: ok 19319
179: ok 19320
179: ok 19321
179: ok 19322
179: ok 19323
179: ok 19324
179: ok 19325
179: ok 19326
179: ok 19327
179: ok 19328
179: ok 19329
179: ok 19330
179: ok 19331
179: ok 19332
179: ok 19333
179: ok 19334
179: ok 19335
179: ok 19336
179: ok 19337
179: ok 19338
179: ok 19339
179: ok 19340
179: ok 19341
179: ok 19342
179: ok 19343
179: ok 19344
179: ok 19345
179: ok 19346
179: ok 19347
179: ok 19348
179: ok 19349
179: ok 19350
179: ok 19351
179: ok 19352
179: ok 19353
179: ok 19354
179: ok 19355
179: ok 19356
179: ok 19357
179: ok 19358
179: ok 19359
179: ok 19360
179: ok 19361
179: ok 19362
179: ok 19363
179: ok 19364
179: ok 19365
179: ok 19366
179: ok 19367
179: ok 19368
179: ok 19369
179: ok 19370
179: ok 19371
179: ok 19372
179: ok 19373
179: ok 19374
179: ok 19375
179: ok 19376
179: ok 19377
179: ok 19378
179: ok 19379
179: ok 19380
179: ok 19381
179: ok 19382
179: ok 19383
179: ok 19384
179: ok 19385
179: ok 19386
179: ok 19387
179: ok 19388
179: ok 19389
179: ok 19390
179: ok 19391
179: ok 19392
179: ok 19393
179: ok 19394
179: ok 19395
179: ok 19396
179: ok 19397
179: ok 19398
179: ok 19399
179: ok 19400
179: ok 19401
179: ok 19402
179: ok 19403
179: ok 19404
179: ok 19405
179: ok 19406
179: ok 19407
179: ok 19408
179: ok 19409
179: ok 19410
179: ok 19411
179: ok 19412
179: ok 19413
179: ok 19414
179: ok 19415
179: ok 19416
179: ok 19417
179: ok 19418
179: ok 19419
179: ok 19420
179: ok 19421
179: ok 19422
179: ok 19423
179: ok 19424
179: ok 19425
179: ok 19426
179: ok 19427
179: ok 19428
179: ok 19429
179: ok 19430
179: ok 19431
179: ok 19432
179: ok 19433
179: ok 19434
179: ok 19435
179: ok 19436
179: ok 19437
179: ok 19438
179: ok 19439
179: ok 19440
179: ok 19441
179: ok 19442
179: ok 19443
179: ok 19444
179: ok 19445
179: ok 19446
179: ok 19447
179: ok 19448
179: ok 19449
179: ok 19450
179: ok 19451
179: ok 19452
179: ok 19453
179: ok 19454
179: ok 19455
179: ok 19456
179: ok 19457
179: ok 19458
179: ok 19459
179: ok 19460
179: ok 19461
179: ok 19462
179: ok 19463
179: ok 19464
179: ok 19465
179: ok 19466
179: ok 19467
179: ok 19468
179: ok 19469
179: ok 19470
179: ok 19471
179: ok 19472
179: ok 19473
179: ok 19474
179: ok 19475
179: ok 19476
179: ok 19477
179: ok 19478
179: ok 19479
179: ok 19480
179: ok 19481
179: ok 19482
179: ok 19483
179: ok 19484
179: ok 19485
179: ok 19486
179: ok 19487
179: ok 19488
179: ok 19489
179: ok 19490
179: ok 19491
179: ok 19492
179: ok 19493
179: ok 19494
179: ok 19495
179: ok 19496
179: ok 19497
179: ok 19498
179: ok 19499
179: ok 19500
179: ok 19501
179: ok 19502
179: ok 19503
179: ok 19504
179: ok 19505
179: ok 19506
179: ok 19507
179: ok 19508
179: ok 19509
179: ok 19510
179: ok 19511
179: ok 19512
179: ok 19513
179: ok 19514
179: ok 19515
179: ok 19516
179: ok 19517
179: ok 19518
179: ok 19519
179: ok 19520
179: ok 19521
179: ok 19522
179: ok 19523
179: ok 19524
179: ok 19525
179: ok 19526
179: ok 19527
179: ok 19528
179: ok 19529
179: ok 19530
179: ok 19531
179: ok 19532
179: ok 19533
179: ok 19534
179: ok 19535
179: ok 19536
179: ok 19537
179: ok 19538
179: ok 19539
179: ok 19540
179: ok 19541
179: ok 19542
179: ok 19543
179: ok 19544
179: ok 19545
179: ok 19546
179: ok 19547
179: ok 19548
179: ok 19549
179: ok 19550
179: ok 19551
179: ok 19552
179: ok 19553
179: ok 19554
179: ok 19555
179: ok 19556
179: ok 19557
179: ok 19558
179: ok 19559
179: ok 19560
179: ok 19561
179: ok 19562
179: ok 19563
179: ok 19564
179: ok 19565
179: ok 19566
179: ok 19567
179: ok 19568
179: ok 19569
179: ok 19570
179: ok 19571
179: ok 19572
179: ok 19573
179: ok 19574
179: ok 19575
179: ok 19576
179: ok 19577
179: ok 19578
179: ok 19579
179: ok 19580
179: ok 19581
179: ok 19582
179: ok 19583
179: ok 19584
179: ok 19585
179: ok 19586
179: ok 19587
179: ok 19588
179: ok 19589
179: ok 19590
179: ok 19591
179: ok 19592
179: ok 19593
179: ok 19594
179: ok 19595
179: ok 19596
179: ok 19597
179: ok 19598
179: ok 19599
179: ok 19600
179: ok 19601
179: ok 19602
179: ok 19603
179: ok 19604
179: ok 19605
179: ok 19606
179: ok 19607
179: ok 19608
179: ok 19609
179: ok 19610
179: ok 19611
179: ok 19612
179: ok 19613
179: ok 19614
179: ok 19615
179: ok 19616
179: ok 19617
179: ok 19618
179: ok 19619
179: ok 19620
179: ok 19621
179: ok 19622
179: ok 19623
179: ok 19624
179: ok 19625
179: ok 19626
179: ok 19627
179: ok 19628
179: ok 19629
179: ok 19630
179: ok 19631
179: ok 19632
179: ok 19633
179: ok 19634
179: ok 19635
179: ok 19636
179: ok 19637
179: ok 19638
179: ok 19639
179: ok 19640
179: ok 19641
179: ok 19642
179: ok 19643
179: ok 19644
179: ok 19645
179: ok 19646
179: ok 19647
179: ok 19648
179: ok 19649
179: ok 19650
179: ok 19651
179: ok 19652
179: ok 19653
179: ok 19654
179: ok 19655
179: ok 19656
179: ok 19657
179: ok 19658
179: ok 19659
179: ok 19660
179: ok 19661
179: ok 19662
179: ok 19663
179: ok 19664
179: ok 19665
179: ok 19666
179: ok 19667
179: ok 19668
179: ok 19669
179: ok 19670
179: ok 19671
179: ok 19672
179: ok 19673
179: ok 19674
179: ok 19675
179: ok 19676
179: ok 19677
179: ok 19678
179: ok 19679
179: ok 19680
179: ok 19681
179: ok 19682
179: ok 19683
179: ok 19684
179: ok 19685
179: ok 19686
179: ok 19687
179: ok 19688
179: ok 19689
179: ok 19690
179: ok 19691
179: ok 19692
179: ok 19693
179: ok 19694
179: ok 19695
179: ok 19696
179: ok 19697
179: ok 19698
179: ok 19699
179: ok 19700
179: ok 19701
179: ok 19702
179: ok 19703
179: ok 19704
179: ok 19705
179: ok 19706
179: ok 19707
179: ok 19708
179: ok 19709
179: ok 19710
179: ok 19711
179: ok 19712
179: ok 19713
179: ok 19714
179: ok 19715
179: ok 19716
179: ok 19717
179: ok 19718
179: ok 19719
179: ok 19720
179: ok 19721
179: ok 19722
179: ok 19723
179: ok 19724
179: ok 19725
179: ok 19726
179: ok 19727
179: ok 19728
179: ok 19729
179: ok 19730
179: ok 19731
179: ok 19732
179: ok 19733
179: ok 19734
179: ok 19735
179: ok 19736
179: ok 19737
179: ok 19738
179: ok 19739
179: ok 19740
179: ok 19741
179: ok 19742
179: ok 19743
179: ok 19744
179: ok 19745
179: ok 19746
179: ok 19747
179: ok 19748
179: ok 19749
179: ok 19750
179: ok 19751
179: ok 19752
179: ok 19753
179: ok 19754
179: ok 19755
179: ok 19756
179: ok 19757
179: ok 19758
179: ok 19759
179: ok 19760
179: ok 19761
179: ok 19762
179: ok 19763
179: ok 19764
179: ok 19765
179: ok 19766
179: ok 19767
179: ok 19768
179: ok 19769
179: ok 19770
179: ok 19771
179: ok 19772
179: ok 19773
179: ok 19774
179: ok 19775
179: ok 19776
179: ok 19777
179: ok 19778
179: ok 19779
179: ok 19780
179: ok 19781
179: ok 19782
179: ok 19783
179: ok 19784
179: ok 19785
179: ok 19786
179: ok 19787
179: ok 19788
179: ok 19789
179: ok 19790
179: ok 19791
179: ok 19792
179: ok 19793
179: ok 19794
179: ok 19795
179: ok 19796
179: ok 19797
179: ok 19798
179: ok 19799
179: ok 19800
179: ok 19801
179: ok 19802
179: ok 19803
179: ok 19804
179: ok 19805
179: ok 19806
179: ok 19807
179: ok 19808
179: ok 19809
179: ok 19810
179: ok 19811
179: ok 19812
179: ok 19813
179: ok 19814
179: ok 19815
179: ok 19816
179: ok 19817
179: ok 19818
179: ok 19819
179: ok 19820
179: ok 19821
179: ok 19822
179: ok 19823
179: ok 19824
179: ok 19825
179: ok 19826
179: ok 19827
179: ok 19828
179: ok 19829
179: ok 19830
179: ok 19831
179: ok 19832
179: ok 19833
179: ok 19834
179: ok 19835
179: ok 19836
179: ok 19837
179: ok 19838
179: ok 19839
179: ok 19840
179: ok 19841
179: ok 19842
179: ok 19843
179: ok 19844
179: ok 19845
179: ok 19846
179: ok 19847
179: ok 19848
179: ok 19849
179: ok 19850
179: ok 19851
179: ok 19852
179: ok 19853
179: ok 19854
179: ok 19855
179: ok 19856
179: ok 19857
179: ok 19858
179: ok 19859
179: ok 19860
179: ok 19861
179: ok 19862
179: ok 19863
179: ok 19864
179: ok 19865
179: ok 19866
179: ok 19867
179: ok 19868
179: ok 19869
179: ok 19870
179: ok 19871
179: ok 19872
179: ok 19873
179: ok 19874
179: ok 19875
179: ok 19876
179: ok 19877
179: ok 19878
179: ok 19879
179: ok 19880
179: ok 19881
179: ok 19882
179: ok 19883
179: ok 19884
179: ok 19885
179: ok 19886
179: ok 19887
179: ok 19888
179: ok 19889
179: ok 19890
179: ok 19891
179: ok 19892
179: ok 19893
179: ok 19894
179: ok 19895
179: ok 19896
179: ok 19897
179: ok 19898
179: ok 19899
179: ok 19900
179: ok 19901
179: ok 19902
179: ok 19903
179: ok 19904
179: ok 19905
179: ok 19906
179: ok 19907
179: ok 19908
179: ok 19909
179: ok 19910
179: ok 19911
179: ok 19912
179: ok 19913
179: ok 19914
179: ok 19915
179: ok 19916
179: ok 19917
179: ok 19918
179: ok 19919
179: ok 19920
179: ok 19921
179: ok 19922
179: ok 19923
179: ok 19924
179: ok 19925
179: ok 19926
179: ok 19927
179: ok 19928
179: ok 19929
179: ok 19930
179: ok 19931
179: ok 19932
179: ok 19933
179: ok 19934
179: ok 19935
179: ok 19936
179: ok 19937
179: ok 19938
179: ok 19939
179: ok 19940
179: ok 19941
179: ok 19942
179: ok 19943
179: ok 19944
179: ok 19945
179: ok 19946
179: ok 19947
179: ok 19948
179: ok 19949
179: ok 19950
179: ok 19951
179: ok 19952
179: ok 19953
179: ok 19954
179: ok 19955
179: ok 19956
179: ok 19957
179: ok 19958
179: ok 19959
179: ok 19960
179: ok 19961
179: ok 19962
179: ok 19963
179: ok 19964
179: ok 19965
179: ok 19966
179: ok 19967
179: ok 19968
179: ok 19969
179: ok 19970
179: ok 19971
179: ok 19972
179: ok 19973
179: ok 19974
179: ok 19975
179: ok 19976
179: ok 19977
179: ok 19978
179: ok 19979
179: ok 19980
179: ok 19981
179: ok 19982
179: ok 19983
179: ok 19984
179: ok 19985
179: ok 19986
179: ok 19987
179: ok 19988
179: ok 19989
179: ok 19990
179: ok 19991
179: ok 19992
179: ok 19993
179: ok 19994
179: ok 19995
179: ok 19996
179: ok 19997
179: ok 19998
179: ok 19999
179: ok 20000
179: ok 20001
179: ok 20002
179: ok 20003
179: ok 20004
179: ok 20005
179: ok 20006
179: ok 20007
179: ok 20008
179: ok 20009
179: ok 20010
179: ok 20011
179: ok 20012
179: ok 20013
179: ok 20014
179: ok 20015
179: ok 20016
179: ok 20017
179: ok 20018
179: ok 20019
179: ok 20020
179: ok 20021
179: ok 20022
179: ok 20023
179: ok 20024
179: ok 20025
179: ok 20026
179: ok 20027
179: ok 20028
179: ok 20029
179: ok 20030
179: ok 20031
179: ok 20032
179: ok 20033
179: ok 20034
179: ok 20035
179: ok 20036
179: ok 20037
179: ok 20038
179: ok 20039
179: ok 20040
179: ok 20041
179: ok 20042
179: ok 20043
179: ok 20044
179: ok 20045
179: ok 20046
179: ok 20047
179: ok 20048
179: ok 20049
179: ok 20050
179: ok 20051
179: ok 20052
179: ok 20053
179: ok 20054
179: ok 20055
179: ok 20056
179: ok 20057
179: ok 20058
179: ok 20059
179: ok 20060
179: ok 20061
179: ok 20062
179: ok 20063
179: ok 20064
179: ok 20065
179: ok 20066
179: ok 20067
179: ok 20068
179: ok 20069
179: ok 20070
179: ok 20071
179: ok 20072
179: ok 20073
179: ok 20074
179: ok 20075
179: ok 20076
179: ok 20077
179: ok 20078
179: ok 20079
179: ok 20080
179: ok 20081
179: ok 20082
179: ok 20083
179: ok 20084
179: ok 20085
179: ok 20086
179: ok 20087
179: ok 20088
179: ok 20089
179: ok 20090
179: ok 20091
179: ok 20092
179: ok 20093
179: ok 20094
179: ok 20095
179: ok 20096
179: ok 20097
179: ok 20098
179: ok 20099
179: ok 20100
179: ok 20101
179: ok 20102
179: ok 20103
179: ok 20104
179: ok 20105
179: ok 20106
179: ok 20107
179: ok 20108
179: ok 20109
179: ok 20110
179: ok 20111
179: ok 20112
179: ok 20113
179: ok 20114
179: ok 20115
179: ok 20116
179: ok 20117
179: ok 20118
179: ok 20119
179: ok 20120
179: ok 20121
179: ok 20122
179: ok 20123
179: ok 20124
179: ok 20125
179: ok 20126
179: ok 20127
179: ok 20128
179: ok 20129
179: ok 20130
179: ok 20131
179: ok 20132
179: ok 20133
179: ok 20134
179: ok 20135
179: ok 20136
179: ok 20137
179: ok 20138
179: ok 20139
179: ok 20140
179: ok 20141
179: ok 20142
179: ok 20143
179: ok 20144
179: ok 20145
179: ok 20146
179: ok 20147
179: ok 20148
179: ok 20149
179: ok 20150
179: ok 20151
179: ok 20152
179: ok 20153
179: ok 20154
179: ok 20155
179: ok 20156
179: ok 20157
179: ok 20158
179: ok 20159
179: ok 20160
179: ok 20161
179: ok 20162
179: ok 20163
179: ok 20164
179: ok 20165
179: ok 20166
179: ok 20167
179: ok 20168
179: ok 20169
179: ok 20170
179: ok 20171
179: ok 20172
179: ok 20173
179: ok 20174
179: ok 20175
179: ok 20176
179: ok 20177
179: ok 20178
179: ok 20179
179: ok 20180
179: ok 20181
179: ok 20182
179: ok 20183
179: ok 20184
179: ok 20185
179: ok 20186
179: ok 20187
179: ok 20188
179: ok 20189
179: ok 20190
179: ok 20191
179: ok 20192
179: ok 20193
179: ok 20194
179: ok 20195
179: ok 20196
179: ok 20197
179: ok 20198
179: ok 20199
179: ok 20200
179: ok 20201
179: ok 20202
179: ok 20203
179: ok 20204
179: ok 20205
179: ok 20206
179: ok 20207
179: ok 20208
179: ok 20209
179: ok 20210
179: ok 20211
179: ok 20212
179: ok 20213
179: ok 20214
179: ok 20215
179: ok 20216
179: ok 20217
179: ok 20218
179: ok 20219
179: ok 20220
179: ok 20221
179: ok 20222
179: ok 20223
179: ok 20224
179: ok 20225
179: ok 20226
179: ok 20227
179: ok 20228
179: ok 20229
179: ok 20230
179: ok 20231
179: ok 20232
179: ok 20233
179: ok 20234
179: ok 20235
179: ok 20236
179: ok 20237
179: ok 20238
179: ok 20239
179: ok 20240
179: ok 20241
179: ok 20242
179: ok 20243
179: ok 20244
179: ok 20245
179: ok 20246
179: ok 20247
179: ok 20248
179: ok 20249
179: ok 20250
179: ok 20251
179: ok 20252
179: ok 20253
179: ok 20254
179: ok 20255
179: ok 20256
179: ok 20257
179: ok 20258
179: ok 20259
179: ok 20260
179: ok 20261
179: ok 20262
179: ok 20263
179: ok 20264
179: ok 20265
179: ok 20266
179: ok 20267
179: ok 20268
179: ok 20269
179: ok 20270
179: ok 20271
179: ok 20272
179: ok 20273
179: ok 20274
179: ok 20275
179: ok 20276
179: ok 20277
179: ok 20278
179: ok 20279
179: ok 20280
179: ok 20281
179: ok 20282
179: ok 20283
179: ok 20284
179: ok 20285
179: ok 20286
179: ok 20287
179: ok 20288
179: ok 20289
179: ok 20290
179: ok 20291
179: ok 20292
179: ok 20293
179: ok 20294
179: ok 20295
179: ok 20296
179: ok 20297
179: ok 20298
179: ok 20299
179: ok 20300
179: ok 20301
179: ok 20302
179: ok 20303
179: ok 20304
179: ok 20305
179: ok 20306
179: ok 20307
179: ok 20308
179: ok 20309
179: ok 20310
179: ok 20311
179: ok 20312
179: ok 20313
179: ok 20314
179: ok 20315
179: ok 20316
179: ok 20317
179: ok 20318
179: ok 20319
179: ok 20320
179: ok 20321
179: ok 20322
179: ok 20323
179: ok 20324
179: ok 20325
179: ok 20326
179: ok 20327
179: ok 20328
179: ok 20329
179: ok 20330
179: ok 20331
179: ok 20332
179: ok 20333
179: ok 20334
179: ok 20335
179: ok 20336
179: ok 20337
179: ok 20338
179: ok 20339
179: ok 20340
179: ok 20341
179: ok 20342
179: ok 20343
179: ok 20344
179: ok 20345
179: ok 20346
179: ok 20347
179: ok 20348
179: ok 20349
179: ok 20350
179: ok 20351
179: ok 20352
179: ok 20353
179: ok 20354
179: ok 20355
179: ok 20356
179: ok 20357
179: ok 20358
179: ok 20359
179: ok 20360
179: ok 20361
179: ok 20362
179: ok 20363
179: ok 20364
179: ok 20365
179: ok 20366
179: ok 20367
179: ok 20368
179: ok 20369
179: ok 20370
179: ok 20371
179: ok 20372
179: ok 20373
179: ok 20374
179: ok 20375
179: ok 20376
179: ok 20377
179: ok 20378
179: ok 20379
179: ok 20380
179: ok 20381
179: ok 20382
179: ok 20383
179: ok 20384
179: ok 20385
179: ok 20386
179: ok 20387
179: ok 20388
179: ok 20389
179: ok 20390
179: ok 20391
179: ok 20392
179: ok 20393
179: ok 20394
179: ok 20395
179: ok 20396
179: ok 20397
179: ok 20398
179: ok 20399
179: ok 20400
179: ok 20401
179: ok 20402
179: ok 20403
179: ok 20404
179: ok 20405
179: ok 20406
179: ok 20407
179: ok 20408
179: ok 20409
179: ok 20410
179: ok 20411
179: ok 20412
179: ok 20413
179: ok 20414
179: ok 20415
179: ok 20416
179: ok 20417
179: ok 20418
179: ok 20419
179: ok 20420
179: ok 20421
179: ok 20422
179: ok 20423
179: ok 20424
179: ok 20425
179: ok 20426
179: ok 20427
179: ok 20428
179: ok 20429
179: ok 20430
179: ok 20431
179: ok 20432
179: ok 20433
179: ok 20434
179: ok 20435
179: ok 20436
179: ok 20437
179: ok 20438
179: ok 20439
179: ok 20440
179: ok 20441
179: ok 20442
179: ok 20443
179: ok 20444
179: ok 20445
179: ok 20446
179: ok 20447
179: ok 20448
179: ok 20449
179: ok 20450
179: ok 20451
179: ok 20452
179: ok 20453
179: ok 20454
179: ok 20455
179: ok 20456
179: ok 20457
179: ok 20458
179: ok 20459
179: ok 20460
179: ok 20461
179: ok 20462
179: ok 20463
179: ok 20464
179: ok 20465
179: ok 20466
179: ok 20467
179: ok 20468
179: ok 20469
179: ok 20470
179: ok 20471
179: ok 20472
179: ok 20473
179: ok 20474
179: ok 20475
179: ok 20476
179: ok 20477
179: ok 20478
179: ok 20479
179: ok 20480
179: ok 20481
179: ok 20482
179: ok 20483
179: ok 20484
179: ok 20485
179: ok 20486
179: ok 20487
179: ok 20488
179: ok 20489
179: ok 20490
179: ok 20491
179: ok 20492
179: ok 20493
179: ok 20494
179: ok 20495
179: ok 20496
179: ok 20497
179: ok 20498
179: ok 20499
179: ok 20500
179: ok 20501
179: ok 20502
179: ok 20503
179: ok 20504
179: ok 20505
179: ok 20506
179: ok 20507
179: ok 20508
179: ok 20509
179: ok 20510
179: ok 20511
179: ok 20512
179: ok 20513
179: ok 20514
179: ok 20515
179: ok 20516
179: ok 20517
179: ok 20518
179: ok 20519
179: ok 20520
179: ok 20521
179: ok 20522
179: ok 20523
179: ok 20524
179: ok 20525
179: ok 20526
179: ok 20527
179: ok 20528
179: ok 20529
179: ok 20530
179: ok 20531
179: ok 20532
179: ok 20533
179: ok 20534
179: ok 20535
179: ok 20536
179: ok 20537
179: ok 20538
179: ok 20539
179: ok 20540
179: ok 20541
179: ok 20542
179: ok 20543
179: ok 20544
179: ok 20545
179: ok 20546
179: ok 20547
179: ok 20548
179: ok 20549
179: ok 20550
179: ok 20551
179: ok 20552
179: ok 20553
179: ok 20554
179: ok 20555
179: ok 20556
179: ok 20557
179: ok 20558
179: ok 20559
179: ok 20560
179: ok 20561
179: ok 20562
179: ok 20563
179: ok 20564
179: ok 20565
179: ok 20566
179: ok 20567
179: ok 20568
179: ok 20569
179: ok 20570
179: ok 20571
179: ok 20572
179: ok 20573
179: ok 20574
179: ok 20575
179: ok 20576
179: ok 20577
179: ok 20578
179: ok 20579
179: ok 20580
179: ok 20581
179: ok 20582
179: ok 20583
179: ok 20584
179: ok 20585
179: ok 20586
179: ok 20587
179: ok 20588
179: ok 20589
179: ok 20590
179: ok 20591
179: ok 20592
179: ok 20593
179: ok 20594
179: ok 20595
179: ok 20596
179: ok 20597
179: ok 20598
179: ok 20599
179: ok 20600
179: ok 20601
179: ok 20602
179: ok 20603
179: ok 20604
179: ok 20605
179: ok 20606
179: ok 20607
179: ok 20608
179: ok 20609
179: ok 20610
179: ok 20611
179: ok 20612
179: ok 20613
179: ok 20614
179: ok 20615
179: ok 20616
179: ok 20617
179: ok 20618
179: ok 20619
179: ok 20620
179: ok 20621
179: ok 20622
179: ok 20623
179: ok 20624
179: ok 20625
179: ok 20626
179: ok 20627
179: ok 20628
179: ok 20629
179: ok 20630
179: ok 20631
179: ok 20632
179: ok 20633
179: ok 20634
179: ok 20635
179: ok 20636
179: ok 20637
179: ok 20638
179: ok 20639
179: ok 20640
179: ok 20641
179: ok 20642
179: ok 20643
179: ok 20644
179: ok 20645
179: ok 20646
179: ok 20647
179: ok 20648
179: ok 20649
179: ok 20650
179: ok 20651
179: ok 20652
179: ok 20653
179: ok 20654
179: ok 20655
179: ok 20656
179: ok 20657
179: ok 20658
179: ok 20659
179: ok 20660
179: ok 20661
179: ok 20662
179: ok 20663
179: ok 20664
179: ok 20665
179: ok 20666
179: ok 20667
179: ok 20668
179: ok 20669
179: ok 20670
179: ok 20671
179: ok 20672
179: ok 20673
179: ok 20674
179: ok 20675
179: ok 20676
179: ok 20677
179: ok 20678
179: ok 20679
179: ok 20680
179: ok 20681
179: ok 20682
179: ok 20683
179: ok 20684
179: ok 20685
179: ok 20686
179: ok 20687
179: ok 20688
179: ok 20689
179: ok 20690
179: ok 20691
179: ok 20692
179: ok 20693
179: ok 20694
179: ok 20695
179: ok 20696
179: ok 20697
179: ok 20698
179: ok 20699
179: ok 20700
179: ok 20701
179: ok 20702
179: ok 20703
179: ok 20704
179: ok 20705
179: ok 20706
179: ok 20707
179: ok 20708
179: ok 20709
179: ok 20710
179: ok 20711
179: ok 20712
179: ok 20713
179: ok 20714
179: ok 20715
179: ok 20716
179: ok 20717
179: ok 20718
179: ok 20719
179: ok 20720
179: ok 20721
179: ok 20722
179: ok 20723
179: ok 20724
179: ok 20725
179: ok 20726
179: ok 20727
179: ok 20728
179: ok 20729
179: ok 20730
179: ok 20731
179: ok 20732
179: ok 20733
179: ok 20734
179: ok 20735
179: ok 20736
179: ok 20737
179: ok 20738
179: ok 20739
179: ok 20740
179: ok 20741
179: ok 20742
179: ok 20743
179: ok 20744
179: ok 20745
179: ok 20746
179: ok 20747
179: ok 20748
179: ok 20749
179: ok 20750
179: ok 20751
179: ok 20752
179: ok 20753
179: ok 20754
179: ok 20755
179: ok 20756
179: ok 20757
179: ok 20758
179: ok 20759
179: ok 20760
179: ok 20761
179: ok 20762
179: ok 20763
179: ok 20764
179: ok 20765
179: ok 20766
179: ok 20767
179: ok 20768
179: ok 20769
179: ok 20770
179: ok 20771
179: ok 20772
179: ok 20773
179: ok 20774
179: ok 20775
179: ok 20776
179: ok 20777
179: ok 20778
179: ok 20779
179: ok 20780
179: ok 20781
179: ok 20782
179: ok 20783
179: ok 20784
179: ok 20785
179: ok 20786
179: ok 20787
179: ok 20788
179: ok 20789
179: ok 20790
179: ok 20791
179: ok 20792
179: ok 20793
179: ok 20794
179: ok 20795
179: ok 20796
179: ok 20797
179: ok 20798
179: ok 20799
179: ok 20800
179: ok 20801
179: ok 20802
179: ok 20803
179: ok 20804
179: ok 20805
179: ok 20806
179: ok 20807
179: ok 20808
179: ok 20809
179: ok 20810
179: ok 20811
179: ok 20812
179: ok 20813
179: ok 20814
179: ok 20815
179: ok 20816
179: ok 20817
179: ok 20818
179: ok 20819
179: ok 20820
179: ok 20821
179: ok 20822
179: ok 20823
179: ok 20824
179: ok 20825
179: ok 20826
179: ok 20827
179: ok 20828
179: ok 20829
179: ok 20830
179: ok 20831
179: ok 20832
179: ok 20833
179: ok 20834
179: ok 20835
179: ok 20836
179: ok 20837
179: ok 20838
179: ok 20839
179: ok 20840
179: ok 20841
179: ok 20842
179: ok 20843
179: ok 20844
179: ok 20845
179: ok 20846
179: ok 20847
179: ok 20848
179: ok 20849
179: ok 20850
179: ok 20851
179: ok 20852
179: ok 20853
179: ok 20854
179: ok 20855
179: ok 20856
179: ok 20857
179: ok 20858
179: ok 20859
179: ok 20860
179: ok 20861
179: ok 20862
179: ok 20863
179: ok 20864
179: ok 20865
179: ok 20866
179: ok 20867
179: ok 20868
179: ok 20869
179: ok 20870
179: ok 20871
179: ok 20872
179: ok 20873
179: ok 20874
179: ok 20875
179: ok 20876
179: ok 20877
179: ok 20878
179: ok 20879
179: ok 20880
179: ok 20881
179: ok 20882
179: ok 20883
179: ok 20884
179: ok 20885
179: ok 20886
179: ok 20887
179: ok 20888
179: ok 20889
179: ok 20890
179: ok 20891
179: ok 20892
179: ok 20893
179: ok 20894
179: ok 20895
179: ok 20896
179: ok 20897
179: ok 20898
179: ok 20899
179: ok 20900
179: ok 20901
179: ok 20902
179: ok 20903
179: ok 20904
179: ok 20905
179: ok 20906
179: ok 20907
179: ok 20908
179: ok 20909
179: ok 20910
179: ok 20911
179: ok 20912
179: ok 20913
179: ok 20914
179: ok 20915
179: ok 20916
179: ok 20917
179: ok 20918
179: ok 20919
179: ok 20920
179: ok 20921
179: ok 20922
179: ok 20923
179: ok 20924
179: ok 20925
179: ok 20926
179: ok 20927
179: ok 20928
179: ok 20929
179: ok 20930
179: ok 20931
179: ok 20932
179: ok 20933
179: ok 20934
179: ok 20935
179: ok 20936
179: ok 20937
179: ok 20938
179: ok 20939
179: ok 20940
179: ok 20941
179: ok 20942
179: ok 20943
179: ok 20944
179: ok 20945
179: ok 20946
179: ok 20947
179: ok 20948
179: ok 20949
179: ok 20950
179: ok 20951
179: ok 20952
179: ok 20953
179: ok 20954
179: ok 20955
179: ok 20956
179: ok 20957
179: ok 20958
179: ok 20959
179: ok 20960
179: ok 20961
179: ok 20962
179: ok 20963
179: ok 20964
179: ok 20965
179: ok 20966
179: ok 20967
179: ok 20968
179: ok 20969
179: ok 20970
179: ok 20971
179: ok 20972
179: ok 20973
179: ok 20974
179: ok 20975
179: ok 20976
179: ok 20977
179: ok 20978
179: ok 20979
179: ok 20980
179: ok 20981
179: ok 20982
179: ok 20983
179: ok 20984
179: ok 20985
179: ok 20986
179: ok 20987
179: ok 20988
179: ok 20989
179: ok 20990
179: ok 20991
179: ok 20992
179: ok 20993
179: ok 20994
179: ok 20995
179: ok 20996
179: ok 20997
179: ok 20998
179: ok 20999
179: ok 21000
179: ok 21001
179: ok 21002
179: ok 21003
179: ok 21004
179: ok 21005
179: ok 21006
179: ok 21007
179: ok 21008
179: ok 21009
179: ok 21010
179: ok 21011
179: ok 21012
179: ok 21013
179: ok 21014
179: ok 21015
179: ok 21016
179: ok 21017
179: ok 21018
179: ok 21019
179: ok 21020
179: ok 21021
179: ok 21022
179: ok 21023
179: ok 21024
179: ok 21025
179: ok 21026
179: ok 21027
179: ok 21028
179: ok 21029
179: ok 21030
179: ok 21031
179: ok 21032
179: ok 21033
179: ok 21034
179: ok 21035
179: ok 21036
179: ok 21037
179: ok 21038
179: ok 21039
179: ok 21040
179: ok 21041
179: ok 21042
179: ok 21043
179: ok 21044
179: ok 21045
179: ok 21046
179: ok 21047
179: ok 21048
179: ok 21049
179: ok 21050
179: ok 21051
179: ok 21052
179: ok 21053
179: ok 21054
179: ok 21055
179: ok 21056
179: ok 21057
179: ok 21058
179: ok 21059
179: ok 21060
179: ok 21061
179: ok 21062
179: ok 21063
179: ok 21064
179: ok 21065
179: ok 21066
179: ok 21067
179: ok 21068
179: ok 21069
179: ok 21070
179: ok 21071
179: ok 21072
179: ok 21073
179: ok 21074
179: ok 21075
179: ok 21076
179: ok 21077
179: ok 21078
179: ok 21079
179: ok 21080
179: ok 21081
179: ok 21082
179: ok 21083
179: ok 21084
179: ok 21085
179: ok 21086
179: ok 21087
179: ok 21088
179: ok 21089
179: ok 21090
179: ok 21091
179: ok 21092
179: ok 21093
179: ok 21094
179: ok 21095
179: ok 21096
179: ok 21097
179: ok 21098
179: ok 21099
179: ok 21100
179: ok 21101
179: ok 21102
179: ok 21103
179: ok 21104
179: ok 21105
179: ok 21106
179: ok 21107
179: ok 21108
179: ok 21109
179: ok 21110
179: ok 21111
179: ok 21112
179: ok 21113
179: ok 21114
179: ok 21115
179: ok 21116
179: ok 21117
179: ok 21118
179: ok 21119
179: ok 21120
179: ok 21121
179: ok 21122
179: ok 21123
179: ok 21124
179: ok 21125
179: ok 21126
179: ok 21127
179: ok 21128
179: ok 21129
179: ok 21130
179: ok 21131
179: ok 21132
179: ok 21133
179: ok 21134
179: ok 21135
179: ok 21136
179: ok 21137
179: ok 21138
179: ok 21139
179: ok 21140
179: ok 21141
179: ok 21142
179: ok 21143
179: ok 21144
179: ok 21145
179: ok 21146
179: ok 21147
179: ok 21148
179: ok 21149
179: ok 21150
179: ok 21151
179: ok 21152
179: ok 21153
179: ok 21154
179: ok 21155
179: ok 21156
179: ok 21157
179: ok 21158
179: ok 21159
179: ok 21160
179: ok 21161
179: ok 21162
179: ok 21163
179: ok 21164
179: ok 21165
179: ok 21166
179: ok 21167
179: ok 21168
179: ok 21169
179: ok 21170
179: ok 21171
179: ok 21172
179: ok 21173
179: ok 21174
179: ok 21175
179: ok 21176
179: ok 21177
179: ok 21178
179: ok 21179
179: ok 21180
179: ok 21181
179: ok 21182
179: ok 21183
179: ok 21184
179: ok 21185
179: ok 21186
179: ok 21187
179: ok 21188
179: ok 21189
179: ok 21190
179: ok 21191
179: ok 21192
179: ok 21193
179: ok 21194
179: ok 21195
179: ok 21196
179: ok 21197
179: ok 21198
179: ok 21199
179: ok 21200
179: ok 21201
179: ok 21202
179: ok 21203
179: ok 21204
179: ok 21205
179: ok 21206
179: ok 21207
179: ok 21208
179: ok 21209
179: ok 21210
179: ok 21211
179: ok 21212
179: ok 21213
179: ok 21214
179: ok 21215
179: ok 21216
179: ok 21217
179: ok 21218
179: ok 21219
179: ok 21220
179: ok 21221
179: ok 21222
179: ok 21223
179: ok 21224
179: ok 21225
179: ok 21226
179: ok 21227
179: ok 21228
179: ok 21229
179: ok 21230
179: ok 21231
179: ok 21232
179: ok 21233
179: ok 21234
179: ok 21235
179: ok 21236
179: ok 21237
179: ok 21238
179: ok 21239
179: ok 21240
179: ok 21241
179: ok 21242
179: ok 21243
179: ok 21244
179: ok 21245
179: ok 21246
179: ok 21247
179: ok 21248
179: ok 21249
179: ok 21250
179: ok 21251
179: ok 21252
179: ok 21253
179: ok 21254
179: ok 21255
179: ok 21256
179: ok 21257
179: ok 21258
179: ok 21259
179: ok 21260
179: ok 21261
179: ok 21262
179: ok 21263
179: ok 21264
179: ok 21265
179: ok 21266
179: ok 21267
179: ok 21268
179: ok 21269
179: ok 21270
179: ok 21271
179: ok 21272
179: ok 21273
179: ok 21274
179: ok 21275
179: ok 21276
179: ok 21277
179: ok 21278
179: ok 21279
179: ok 21280
179: ok 21281
179: ok 21282
179: ok 21283
179: ok 21284
179: ok 21285
179: ok 21286
179: ok 21287
179: ok 21288
179: ok 21289
179: ok 21290
179: ok 21291
179: ok 21292
179: ok 21293
179: ok 21294
179: ok 21295
179: ok 21296
179: ok 21297
179: ok 21298
179: ok 21299
179: ok 21300
179: ok 21301
179: ok 21302
179: ok 21303
179: ok 21304
179: ok 21305
179: ok 21306
179: ok 21307
179: ok 21308
179: ok 21309
179: ok 21310
179: ok 21311
179: ok 21312
179: ok 21313
179: ok 21314
179: ok 21315
179: ok 21316
179: ok 21317
179: ok 21318
179: ok 21319
179: ok 21320
179: ok 21321
179: ok 21322
179: ok 21323
179: ok 21324
179: ok 21325
179: ok 21326
179: ok 21327
179: ok 21328
179: ok 21329
179: ok 21330
179: ok 21331
179: ok 21332
179: ok 21333
179: ok 21334
179: ok 21335
179: ok 21336
179: ok 21337
179: ok 21338
179: ok 21339
179: ok 21340
179: ok 21341
179: ok 21342
179: ok 21343
179: ok 21344
179: ok 21345
179: ok 21346
179: ok 21347
179: ok 21348
179: ok 21349
179: ok 21350
179: ok 21351
179: ok 21352
179: ok 21353
179: ok 21354
179: ok 21355
179: ok 21356
179: ok 21357
179: ok 21358
179: ok 21359
179: ok 21360
179: ok 21361
179: ok 21362
179: ok 21363
179: ok 21364
179: ok 21365
179: ok 21366
179: ok 21367
179: ok 21368
179: ok 21369
179: ok 21370
179: ok 21371
179: ok 21372
179: ok 21373
179: ok 21374
179: ok 21375
179: ok 21376
179: ok 21377
179: ok 21378
179: ok 21379
179: ok 21380
179: ok 21381
179: ok 21382
179: ok 21383
179: ok 21384
179: ok 21385
179: ok 21386
179: ok 21387
179: ok 21388
179: ok 21389
179: ok 21390
179: ok 21391
179: ok 21392
179: ok 21393
179: ok 21394
179: ok 21395
179: ok 21396
179: ok 21397
179: ok 21398
179: ok 21399
179: ok 21400
179: ok 21401
179: ok 21402
179: ok 21403
179: ok 21404
179: ok 21405
179: ok 21406
179: ok 21407
179: ok 21408
179: ok 21409
179: ok 21410
179: ok 21411
179: ok 21412
179: ok 21413
179: ok 21414
179: ok 21415
179: ok 21416
179: ok 21417
179: ok 21418
179: ok 21419
179: ok 21420
179: ok 21421
179: ok 21422
179: ok 21423
179: ok 21424
179: ok 21425
179: ok 21426
179: ok 21427
179: ok 21428
179: ok 21429
179: ok 21430
179: ok 21431
179: ok 21432
179: ok 21433
179: ok 21434
179: ok 21435
179: ok 21436
179: ok 21437
179: ok 21438
179: ok 21439
179: ok 21440
179: ok 21441
179: ok 21442
179: ok 21443
179: ok 21444
179: ok 21445
179: ok 21446
179: ok 21447
179: ok 21448
179: ok 21449
179: ok 21450
179: ok 21451
179: ok 21452
179: ok 21453
179: ok 21454
179: ok 21455
179: ok 21456
179: ok 21457
179: ok 21458
179: ok 21459
179: ok 21460
179: ok 21461
179: ok 21462
179: ok 21463
179: ok 21464
179: ok 21465
179: ok 21466
179: ok 21467
179: ok 21468
179: ok 21469
179: ok 21470
179: ok 21471
179: ok 21472
179: ok 21473
179: ok 21474
179: ok 21475
179: ok 21476
179: ok 21477
179: ok 21478
179: ok 21479
179: ok 21480
179: ok 21481
179: ok 21482
179: ok 21483
179: ok 21484
179: ok 21485
179: ok 21486
179: ok 21487
179: ok 21488
179: ok 21489
179: ok 21490
179: ok 21491
179: ok 21492
179: ok 21493
179: ok 21494
179: ok 21495
179: ok 21496
179: ok 21497
179: ok 21498
179: ok 21499
179: ok 21500
179: ok 21501
179: ok 21502
179: ok 21503
179: ok 21504
179: ok 21505
179: ok 21506
179: ok 21507
179: ok 21508
179: ok 21509
179: ok 21510
179: ok 21511
179: ok 21512
179: ok 21513
179: ok 21514
179: ok 21515
179: ok 21516
179: ok 21517
179: ok 21518
179: ok 21519
179: ok 21520
179: ok 21521
179: ok 21522
179: ok 21523
179: ok 21524
179: ok 21525
179: ok 21526
179: ok 21527
179: ok 21528
179: ok 21529
179: ok 21530
179: ok 21531
179: ok 21532
179: ok 21533
179: ok 21534
179: ok 21535
179: ok 21536
179: ok 21537
179: ok 21538
179: ok 21539
179: ok 21540
179: ok 21541
179: ok 21542
179: ok 21543
179: ok 21544
179: ok 21545
179: ok 21546
179: ok 21547
179: ok 21548
179: ok 21549
179: ok 21550
179: ok 21551
179: ok 21552
179: ok 21553
179: ok 21554
179: ok 21555
179: ok 21556
179: ok 21557
179: ok 21558
179: ok 21559
179: ok 21560
179: ok 21561
179: ok 21562
179: ok 21563
179: ok 21564
179: ok 21565
179: ok 21566
179: ok 21567
179: ok 21568
179: ok 21569
179: ok 21570
179: ok 21571
179: ok 21572
179: ok 21573
179: ok 21574
179: ok 21575
179: ok 21576
179: ok 21577
179: ok 21578
179: ok 21579
179: ok 21580
179: ok 21581
179: ok 21582
179: ok 21583
179: ok 21584
179: ok 21585
179: ok 21586
179: ok 21587
179: ok 21588
179: ok 21589
179: ok 21590
179: ok 21591
179: ok 21592
179: ok 21593
179: ok 21594
179: ok 21595
179: ok 21596
179: ok 21597
179: ok 21598
179: ok 21599
179: ok 21600
179: ok 21601
179: ok 21602
179: ok 21603
179: ok 21604
179: ok 21605
179: ok 21606
179: ok 21607
179: ok 21608
179: ok 21609
179: ok 21610
179: ok 21611
179: ok 21612
179: ok 21613
179: ok 21614
179: ok 21615
179: ok 21616
179: ok 21617
179: ok 21618
179: ok 21619
179: ok 21620
179: ok 21621
179: ok 21622
179: ok 21623
179: ok 21624
179: ok 21625
179: ok 21626
179: ok 21627
179: ok 21628
179: ok 21629
179: ok 21630
179: ok 21631
179: ok 21632
179: ok 21633
179: ok 21634
179: ok 21635
179: ok 21636
179: ok 21637
179: ok 21638
179: ok 21639
179: ok 21640
179: ok 21641
179: ok 21642
179: ok 21643
179: ok 21644
179: ok 21645
179: ok 21646
179: ok 21647
179: ok 21648
179: ok 21649
179: ok 21650
179: ok 21651
179: ok 21652
179: ok 21653
179: ok 21654
179: ok 21655
179: ok 21656
179: ok 21657
179: ok 21658
179: ok 21659
179: ok 21660
179: ok 21661
179: ok 21662
179: ok 21663
179: ok 21664
179: ok 21665
179: ok 21666
179: ok 21667
179: ok 21668
179: ok 21669
179: ok 21670
179: ok 21671
179: ok 21672
179: ok 21673
179: ok 21674
179: ok 21675
179: ok 21676
179: ok 21677
179: ok 21678
179: ok 21679
179: ok 21680
179: ok 21681
179: ok 21682
179: ok 21683
179: ok 21684
179: ok 21685
179: ok 21686
179: ok 21687
179: ok 21688
179: ok 21689
179: ok 21690
179: ok 21691
179: ok 21692
179: ok 21693
179: ok 21694
179: ok 21695
179: ok 21696
179: ok 21697
179: ok 21698
179: ok 21699
179: ok 21700
179: ok 21701
179: ok 21702
179: ok 21703
179: ok 21704
179: ok 21705
179: ok 21706
179: ok 21707
179: ok 21708
179: ok 21709
179: ok 21710
179: ok 21711
179: ok 21712
179: ok 21713
179: ok 21714
179: ok 21715
179: ok 21716
179: ok 21717
179: ok 21718
179: ok 21719
179: ok 21720
179: ok 21721
179: ok 21722
179: ok 21723
179: ok 21724
179: ok 21725
179: ok 21726
179: ok 21727
179: ok 21728
179: ok 21729
179: ok 21730
179: ok 21731
179: ok 21732
179: ok 21733
179: ok 21734
179: ok 21735
179: ok 21736
179: ok 21737
179: ok 21738
179: ok 21739
179: ok 21740
179: ok 21741
179: ok 21742
179: ok 21743
179: ok 21744
179: ok 21745
179: ok 21746
179: ok 21747
179: ok 21748
179: ok 21749
179: ok 21750
179: ok 21751
179: ok 21752
179: ok 21753
179: ok 21754
179: ok 21755
179: ok 21756
179: ok 21757
179: ok 21758
179: ok 21759
179: ok 21760
179: ok 21761
179: ok 21762
179: ok 21763
179: ok 21764
179: ok 21765
179: ok 21766
179: ok 21767
179: ok 21768
179: ok 21769
179: ok 21770
179: ok 21771
179: ok 21772
179: ok 21773
179: ok 21774
179: ok 21775
179: ok 21776
179: ok 21777
179: ok 21778
179: ok 21779
179: ok 21780
179: ok 21781
179: ok 21782
179: ok 21783
179: ok 21784
179: ok 21785
179: ok 21786
179: ok 21787
179: ok 21788
179: ok 21789
179: ok 21790
179: ok 21791
179: ok 21792
179: ok 21793
179: ok 21794
179: ok 21795
179: ok 21796
179: ok 21797
179: ok 21798
179: ok 21799
179: ok 21800
179: ok 21801
179: ok 21802
179: ok 21803
179: ok 21804
179: ok 21805
179: ok 21806
179: ok 21807
179: ok 21808
179: ok 21809
179: ok 21810
179: ok 21811
179: ok 21812
179: ok 21813
179: ok 21814
179: ok 21815
179: ok 21816
179: ok 21817
179: ok 21818
179: ok 21819
179: ok 21820
179: ok 21821
179: ok 21822
179: ok 21823
179: ok 21824
179: ok 21825
179: ok 21826
179: ok 21827
179: ok 21828
179: ok 21829
179: ok 21830
179: ok 21831
179: ok 21832
179: ok 21833
179: ok 21834
179: ok 21835
179: ok 21836
179: ok 21837
179: ok 21838
179: ok 21839
179: ok 21840
179: ok 21841
179: ok 21842
179: ok 21843
179: ok 21844
179: ok 21845
179: ok 21846
179: ok 21847
179: ok 21848
179: ok 21849
179: ok 21850
179: ok 21851
179: ok 21852
179: ok 21853
179: ok 21854
179: ok 21855
179: ok 21856
179: ok 21857
179: ok 21858
179: ok 21859
179: ok 21860
179: ok 21861
179: ok 21862
179: ok 21863
179: ok 21864
179: ok 21865
179: ok 21866
179: ok 21867
179: ok 21868
179: ok 21869
179: ok 21870
179: ok 21871
179: ok 21872
179: ok 21873
179: ok 21874
179: ok 21875
179: ok 21876
179: ok 21877
179: ok 21878
179: ok 21879
179: ok 21880
179: ok 21881
179: ok 21882
179: ok 21883
179: ok 21884
179: ok 21885
179: ok 21886
179: ok 21887
179: ok 21888
179: ok 21889
179: ok 21890
179: ok 21891
179: ok 21892
179: ok 21893
179: ok 21894
179: ok 21895
179: ok 21896
179: ok 21897
179: ok 21898
179: ok 21899
179: ok 21900
179: ok 21901
179: ok 21902
179: ok 21903
179: ok 21904
179: ok 21905
179: ok 21906
179: ok 21907
179: ok 21908
179: ok 21909
179: ok 21910
179: ok 21911
179: ok 21912
179: ok 21913
179: ok 21914
179: ok 21915
179: ok 21916
179: ok 21917
179: ok 21918
179: ok 21919
179: ok 21920
179: ok 21921
179: ok 21922
179: ok 21923
179: ok 21924
179: ok 21925
179: ok 21926
179: ok 21927
179: ok 21928
179: ok 21929
179: ok 21930
179: ok 21931
179: ok 21932
179: ok 21933
179: ok 21934
179: ok 21935
179: ok 21936
179: ok 21937
179: ok 21938
179: ok 21939
179: ok 21940
179: ok 21941
179: ok 21942
179: ok 21943
179: ok 21944
179: ok 21945
179: ok 21946
179: ok 21947
179: ok 21948
179: ok 21949
179: ok 21950
179: ok 21951
179: ok 21952
179: ok 21953
179: ok 21954
179: ok 21955
179: ok 21956
179: ok 21957
179: ok 21958
179: ok 21959
179: ok 21960
179: ok 21961
179: ok 21962
179: ok 21963
179: ok 21964
179: ok 21965
179: ok 21966
179: ok 21967
179: ok 21968
179: ok 21969
179: ok 21970
179: ok 21971
179: ok 21972
179: ok 21973
179: ok 21974
179: ok 21975
179: ok 21976
179: ok 21977
179: ok 21978
179: ok 21979
179: ok 21980
179: ok 21981
179: ok 21982
179: ok 21983
179: ok 21984
179: ok 21985
179: ok 21986
179: ok 21987
179: ok 21988
179: ok 21989
179: ok 21990
179: ok 21991
179: ok 21992
179: ok 21993
179: ok 21994
179: ok 21995
179: ok 21996
179: ok 21997
179: ok 21998
179: ok 21999
179: ok 22000
179: ok 22001
179: ok 22002
179: ok 22003
179: ok 22004
179: ok 22005
179: ok 22006
179: ok 22007
179: ok 22008
179: ok 22009
179: ok 22010
179: ok 22011
179: ok 22012
179: ok 22013
179: ok 22014
179: ok 22015
179: ok 22016
179: ok 22017
179: ok 22018
179: ok 22019
179: ok 22020
179: ok 22021
179: ok 22022
179: ok 22023
179: ok 22024
179: ok 22025
179: ok 22026
179: ok 22027
179: ok 22028
179: ok 22029
179: ok 22030
179: ok 22031
179: ok 22032
179: ok 22033
179: ok 22034
179: ok 22035
179: ok 22036
179: ok 22037
179: ok 22038
179: ok 22039
179: ok 22040
179: ok 22041
179: ok 22042
179: ok 22043
179: ok 22044
179: ok 22045
179: ok 22046
179: ok 22047
179: ok 22048
179: ok 22049
179: ok 22050
179: ok 22051
179: ok 22052
179: ok 22053
179: ok 22054
179: ok 22055
179: ok 22056
179: ok 22057
179: ok 22058
179: ok 22059
179: ok 22060
179: ok 22061
179: ok 22062
179: ok 22063
179: ok 22064
179: ok 22065
179: ok 22066
179: ok 22067
179: ok 22068
179: ok 22069
179: ok 22070
179: ok 22071
179: ok 22072
179: ok 22073
179: ok 22074
179: ok 22075
179: ok 22076
179: ok 22077
179: ok 22078
179: ok 22079
179: ok 22080
179: ok 22081
179: ok 22082
179: ok 22083
179: ok 22084
179: ok 22085
179: ok 22086
179: ok 22087
179: ok 22088
179: ok 22089
179: ok 22090
179: ok 22091
179: ok 22092
179: ok 22093
179: ok 22094
179: ok 22095
179: ok 22096
179: ok 22097
179: ok 22098
179: ok 22099
179: ok 22100
179: ok 22101
179: ok 22102
179: ok 22103
179: ok 22104
179: ok 22105
179: ok 22106
179: ok 22107
179: ok 22108
179: ok 22109
179: ok 22110
179: ok 22111
179: ok 22112
179: ok 22113
179: ok 22114
179: ok 22115
179: ok 22116
179: ok 22117
179: ok 22118
179: ok 22119
179: ok 22120
179: ok 22121
179: ok 22122
179: ok 22123
179: ok 22124
179: ok 22125
179: ok 22126
179: ok 22127
179: ok 22128
179: ok 22129
179: ok 22130
179: ok 22131
179: ok 22132
179: ok 22133
179: ok 22134
179: ok 22135
179: ok 22136
179: ok 22137
179: ok 22138
179: ok 22139
179: ok 22140
179: ok 22141
179: ok 22142
179: ok 22143
179: ok 22144
179: ok 22145
179: ok 22146
179: ok 22147
179: ok 22148
179: ok 22149
179: ok 22150
179: ok 22151
179: ok 22152
179: ok 22153
179: ok 22154
179: ok 22155
179: ok 22156
179: ok 22157
179: ok 22158
179: ok 22159
179: ok 22160
179: ok 22161
179: ok 22162
179: ok 22163
179: ok 22164
179: ok 22165
179: ok 22166
179: ok 22167
179: ok 22168
179: ok 22169
179: ok 22170
179: ok 22171
179: ok 22172
179: ok 22173
179: ok 22174
179: ok 22175
179: ok 22176
179: ok 22177
179: ok 22178
179: ok 22179
179: ok 22180
179: ok 22181
179: ok 22182
179: ok 22183
179: ok 22184
179: ok 22185
179: ok 22186
179: ok 22187
179: ok 22188
179: ok 22189
179: ok 22190
179: ok 22191
179: ok 22192
179: ok 22193
179: ok 22194
179: ok 22195
179: ok 22196
179: ok 22197
179: ok 22198
179: ok 22199
179: ok 22200
179: ok 22201
179: ok 22202
179: ok 22203
179: ok 22204
179: ok 22205
179: ok 22206
179: ok 22207
179: ok 22208
179: ok 22209
179: ok 22210
179: ok 22211
179: ok 22212
179: ok 22213
179: ok 22214
179: ok 22215
179: ok 22216
179: ok 22217
179: ok 22218
179: ok 22219
179: ok 22220
179: ok 22221
179: ok 22222
179: ok 22223
179: ok 22224
179: ok 22225
179: ok 22226
179: ok 22227
179: ok 22228
179: ok 22229
179: ok 22230
179: ok 22231
179: ok 22232
179: ok 22233
179: ok 22234
179: ok 22235
179: ok 22236
179: ok 22237
179: ok 22238
179: ok 22239
179: ok 22240
179: ok 22241
179: ok 22242
179: ok 22243
179: ok 22244
179: ok 22245
179: ok 22246
179: ok 22247
179: ok 22248
179: ok 22249
179: ok 22250
179: ok 22251
179: ok 22252
179: ok 22253
179: ok 22254
179: ok 22255
179: ok 22256
179: ok 22257
179: ok 22258
179: ok 22259
179: ok 22260
179: ok 22261
179: ok 22262
179: ok 22263
179: ok 22264
179: ok 22265
179: ok 22266
179: ok 22267
179: ok 22268
179: ok 22269
179: ok 22270
179: ok 22271
179: ok 22272
179: ok 22273
179: ok 22274
179: ok 22275
179: ok 22276
179: ok 22277
179: ok 22278
179: ok 22279
179: ok 22280
179: ok 22281
179: ok 22282
179: ok 22283
179: ok 22284
179: ok 22285
179: ok 22286
179: ok 22287
179: ok 22288
179: ok 22289
179: ok 22290
179: ok 22291
179: ok 22292
179: ok 22293
179: ok 22294
179: ok 22295
179: ok 22296
179: ok 22297
179: ok 22298
179: ok 22299
179: ok 22300
179: ok 22301
179: ok 22302
179: ok 22303
179: ok 22304
179: ok 22305
179: ok 22306
179: ok 22307
179: ok 22308
179: ok 22309
179: ok 22310
179: ok 22311
179: ok 22312
179: ok 22313
179: ok 22314
179: ok 22315
179: ok 22316
179: ok 22317
179: ok 22318
179: ok 22319
179: ok 22320
179: ok 22321
179: ok 22322
179: ok 22323
179: ok 22324
179: ok 22325
179: ok 22326
179: ok 22327
179: ok 22328
179: ok 22329
179: ok 22330
179: ok 22331
179: ok 22332
179: ok 22333
179: ok 22334
179: ok 22335
179: ok 22336
179: ok 22337
179: ok 22338
179: ok 22339
179: ok 22340
179: ok 22341
179: ok 22342
179: ok 22343
179: ok 22344
179: ok 22345
179: ok 22346
179: ok 22347
179: ok 22348
179: ok 22349
179: ok 22350
179: ok 22351
179: ok 22352
179: ok 22353
179: ok 22354
179: ok 22355
179: ok 22356
179: ok 22357
179: ok 22358
179: ok 22359
179: ok 22360
179: ok 22361
179: ok 22362
179: ok 22363
179: ok 22364
179: ok 22365
179: ok 22366
179: ok 22367
179: ok 22368
179: ok 22369
179: ok 22370
179: ok 22371
179: ok 22372
179: ok 22373
179: ok 22374
179: ok 22375
179: ok 22376
179: ok 22377
179: ok 22378
179: ok 22379
179: ok 22380
179: ok 22381
179: ok 22382
179: ok 22383
179: ok 22384
179: ok 22385
179: ok 22386
179: ok 22387
179: ok 22388
179: ok 22389
179: ok 22390
179: ok 22391
179: ok 22392
179: ok 22393
179: ok 22394
179: ok 22395
179: ok 22396
179: ok 22397
179: ok 22398
179: ok 22399
179: ok 22400
179: ok 22401
179: ok 22402
179: ok 22403
179: ok 22404
179: ok 22405
179: ok 22406
179: ok 22407
179: ok 22408
179: ok 22409
179: ok 22410
179: ok 22411
179: ok 22412
179: ok 22413
179: ok 22414
179: ok 22415
179: ok 22416
179: ok 22417
179: ok 22418
179: ok 22419
179: ok 22420
179: ok 22421
179: ok 22422
179: ok 22423
179: ok 22424
179: ok 22425
179: ok 22426
179: ok 22427
179: ok 22428
179: ok 22429
179: ok 22430
179: ok 22431
179: ok 22432
179: ok 22433
179: ok 22434
179: ok 22435
179: ok 22436
179: ok 22437
179: ok 22438
179: ok 22439
179: ok 22440
179: ok 22441
179: ok 22442
179: ok 22443
179: ok 22444
179: ok 22445
179: ok 22446
179: ok 22447
179: ok 22448
179: ok 22449
179: ok 22450
179: ok 22451
179: ok 22452
179: ok 22453
179: ok 22454
179: ok 22455
179: ok 22456
179: ok 22457
179: ok 22458
179: ok 22459
179: ok 22460
179: ok 22461
179: ok 22462
179: ok 22463
179: ok 22464
179: ok 22465
179: ok 22466
179: ok 22467
179: ok 22468
179: ok 22469
179: ok 22470
179: ok 22471
179: ok 22472
179: ok 22473
179: ok 22474
179: ok 22475
179: ok 22476
179: ok 22477
179: ok 22478
179: ok 22479
179: ok 22480
179: ok 22481
179: ok 22482
179: ok 22483
179: ok 22484
179: ok 22485
179: ok 22486
179: ok 22487
179: ok 22488
179: ok 22489
179: ok 22490
179: ok 22491
179: ok 22492
179: ok 22493
179: ok 22494
179: ok 22495
179: ok 22496
179: ok 22497
179: ok 22498
179: ok 22499
179: ok 22500
179: ok 22501
179: ok 22502
179: ok 22503
179: ok 22504
179: ok 22505
179: ok 22506
179: ok 22507
179: ok 22508
179: ok 22509
179: ok 22510
179: ok 22511
179: ok 22512
179: ok 22513
179: ok 22514
179: ok 22515
179: ok 22516
179: ok 22517
179: ok 22518
179: ok 22519
179: ok 22520
179: ok 22521
179: ok 22522
179: ok 22523
179: ok 22524
179: ok 22525
179: ok 22526
179: ok 22527
179: ok 22528
179: ok 22529
179: ok 22530
179: ok 22531
179: ok 22532
179: ok 22533
179: ok 22534
179: ok 22535
179: ok 22536
179: ok 22537
179: ok 22538
179: ok 22539
179: ok 22540
179: ok 22541
179: ok 22542
179: ok 22543
179: ok 22544
179: ok 22545
179: ok 22546
179: ok 22547
179: ok 22548
179: ok 22549
179: ok 22550
179: ok 22551
179: ok 22552
179: ok 22553
179: ok 22554
179: ok 22555
179: ok 22556
179: ok 22557
179: ok 22558
179: ok 22559
179: ok 22560
179: ok 22561
179: ok 22562
179: ok 22563
179: ok 22564
179: ok 22565
179: ok 22566
179: ok 22567
179: ok 22568
179: ok 22569
179: ok 22570
179: ok 22571
179: ok 22572
179: ok 22573
179: ok 22574
179: ok 22575
179: ok 22576
179: ok 22577
179: ok 22578
179: ok 22579
179: ok 22580
179: ok 22581
179: ok 22582
179: ok 22583
179: ok 22584
179: ok 22585
179: ok 22586
179: ok 22587
179: ok 22588
179: ok 22589
179: ok 22590
179: ok 22591
179: ok 22592
179: ok 22593
179: ok 22594
179: ok 22595
179: ok 22596
179: ok 22597
179: ok 22598
179: ok 22599
179: ok 22600
179: ok 22601
179: ok 22602
179: ok 22603
179: ok 22604
179: ok 22605
179: ok 22606
179: ok 22607
179: ok 22608
179: ok 22609
179: ok 22610
179: ok 22611
179: ok 22612
179: ok 22613
179: ok 22614
179: ok 22615
179: ok 22616
179: ok 22617
179: ok 22618
179: ok 22619
179: ok 22620
179: ok 22621
179: ok 22622
179: ok 22623
179: ok 22624
179: ok 22625
179: ok 22626
179: ok 22627
179: ok 22628
179: ok 22629
179: ok 22630
179: ok 22631
179: ok 22632
179: ok 22633
179: ok 22634
179: ok 22635
179: ok 22636
179: ok 22637
179: ok 22638
179: ok 22639
179: ok 22640
179: ok 22641
179: ok 22642
179: ok 22643
179: ok 22644
179: ok 22645
179: ok 22646
179: ok 22647
179: ok 22648
179: ok 22649
179: ok 22650
179: ok 22651
179: ok 22652
179: ok 22653
179: ok 22654
179: ok 22655
179: ok 22656
179: ok 22657
179: ok 22658
179: ok 22659
179: ok 22660
179: ok 22661
179: ok 22662
179: ok 22663
179: ok 22664
179: ok 22665
179: ok 22666
179: ok 22667
179: ok 22668
179: ok 22669
179: ok 22670
179: ok 22671
179: ok 22672
179: ok 22673
179: ok 22674
179: ok 22675
179: ok 22676
179: ok 22677
179: ok 22678
179: ok 22679
179: ok 22680
179: ok 22681
179: ok 22682
179: ok 22683
179: ok 22684
179: ok 22685
179: ok 22686
179: ok 22687
179: ok 22688
179: ok 22689
179: ok 22690
179: ok 22691
179: ok 22692
179: ok 22693
179: ok 22694
179: ok 22695
179: ok 22696
179: ok 22697
179: ok 22698
179: ok 22699
179: ok 22700
179: ok 22701
179: ok 22702
179: ok 22703
179: ok 22704
179: ok 22705
179: ok 22706
179: ok 22707
179: ok 22708
179: ok 22709
179: ok 22710
179: ok 22711
179: ok 22712
179: ok 22713
179: ok 22714
179: ok 22715
179: ok 22716
179: ok 22717
179: ok 22718
179: ok 22719
179: ok 22720
179: ok 22721
179: ok 22722
179: ok 22723
179: ok 22724
179: ok 22725
179: ok 22726
179: ok 22727
179: ok 22728
179: ok 22729
179: ok 22730
179: ok 22731
179: ok 22732
179: ok 22733
179: ok 22734
179: ok 22735
179: ok 22736
179: ok 22737
179: ok 22738
179: ok 22739
179: ok 22740
179: ok 22741
179: ok 22742
179: ok 22743
179: ok 22744
179: ok 22745
179: ok 22746
179: ok 22747
179: ok 22748
179: ok 22749
179: ok 22750
179: ok 22751
179: ok 22752
179: ok 22753
179: ok 22754
179: ok 22755
179: ok 22756
179: ok 22757
179: ok 22758
179: ok 22759
179: ok 22760
179: ok 22761
179: ok 22762
179: ok 22763
179: ok 22764
179: ok 22765
179: ok 22766
179: ok 22767
179: ok 22768
179: ok 22769
179: ok 22770
179: ok 22771
179: ok 22772
179: ok 22773
179: ok 22774
179: ok 22775
179: ok 22776
179: ok 22777
179: ok 22778
179: ok 22779
179: ok 22780
179: ok 22781
179: ok 22782
179: ok 22783
179: ok 22784
179: ok 22785
179: ok 22786
179: ok 22787
179: ok 22788
179: ok 22789
179: ok 22790
179: ok 22791
179: ok 22792
179: ok 22793
179: ok 22794
179: ok 22795
179: ok 22796
179: ok 22797
179: ok 22798
179: ok 22799
179: ok 22800
179: ok 22801
179: ok 22802
179: ok 22803
179: ok 22804
179: ok 22805
179: ok 22806
179: ok 22807
179: ok 22808
179: ok 22809
179: ok 22810
179: ok 22811
179: ok 22812
179: ok 22813
179: ok 22814
179: ok 22815
179: ok 22816
179: ok 22817
179: ok 22818
179: ok 22819
179: ok 22820
179: ok 22821
179: ok 22822
179: ok 22823
179: ok 22824
179: ok 22825
179: ok 22826
179: ok 22827
179: ok 22828
179: ok 22829
179: ok 22830
179: ok 22831
179: ok 22832
179: ok 22833
179: ok 22834
179: ok 22835
179: ok 22836
179: ok 22837
179: ok 22838
179: ok 22839
179: ok 22840
179: ok 22841
179: ok 22842
179: ok 22843
179: ok 22844
179: ok 22845
179: ok 22846
179: ok 22847
179: ok 22848
179: ok 22849
179: ok 22850
179: ok 22851
179: ok 22852
179: ok 22853
179: ok 22854
179: ok 22855
179: ok 22856
179: ok 22857
179: ok 22858
179: ok 22859
179: ok 22860
179: ok 22861
179: ok 22862
179: ok 22863
179: ok 22864
179: ok 22865
179: ok 22866
179: ok 22867
179: ok 22868
179: ok 22869
179: ok 22870
179: ok 22871
179: ok 22872
179: ok 22873
179: ok 22874
179: ok 22875
179: ok 22876
179: ok 22877
179: ok 22878
179: ok 22879
179: ok 22880
179: ok 22881
179: ok 22882
179: ok 22883
179: ok 22884
179: ok 22885
179: ok 22886
179: ok 22887
179: ok 22888
179: ok 22889
179: ok 22890
179: ok 22891
179: ok 22892
179: ok 22893
179: ok 22894
179: ok 22895
179: ok 22896
179: ok 22897
179: ok 22898
179: ok 22899
179: ok 22900
179: ok 22901
179: ok 22902
179: ok 22903
179: ok 22904
179: ok 22905
179: ok 22906
179: ok 22907
179: ok 22908
179: ok 22909
179: ok 22910
179: ok 22911
179: ok 22912
179: ok 22913
179: ok 22914
179: ok 22915
179: ok 22916
179: ok 22917
179: ok 22918
179: ok 22919
179: ok 22920
179: ok 22921
179: ok 22922
179: ok 22923
179: ok 22924
179: ok 22925
179: ok 22926
179: ok 22927
179: ok 22928
179: ok 22929
179: ok 22930
179: ok 22931
179: ok 22932
179: ok 22933
179: ok 22934
179: ok 22935
179: ok 22936
179: ok 22937
179: ok 22938
179: ok 22939
179: ok 22940
179: ok 22941
179: ok 22942
179: ok 22943
179: ok 22944
179: ok 22945
179: ok 22946
179: ok 22947
179: ok 22948
179: ok 22949
179: ok 22950
179: ok 22951
179: ok 22952
179: ok 22953
179: ok 22954
179: ok 22955
179: ok 22956
179: ok 22957
179: ok 22958
179: ok 22959
179: ok 22960
179: ok 22961
179: ok 22962
179: ok 22963
179: ok 22964
179: ok 22965
179: ok 22966
179: ok 22967
179: ok 22968
179: ok 22969
179: ok 22970
179: ok 22971
179: ok 22972
179: ok 22973
179: ok 22974
179: ok 22975
179: ok 22976
179: ok 22977
179: ok 22978
179: ok 22979
179: ok 22980
179: ok 22981
179: ok 22982
179: ok 22983
179: ok 22984
179: ok 22985
179: ok 22986
179: ok 22987
179: ok 22988
179: ok 22989
179: ok 22990
179: ok 22991
179: ok 22992
179: ok 22993
179: ok 22994
179: ok 22995
179: ok 22996
179: ok 22997
179: ok 22998
179: ok 22999
179: ok 23000
179: ok 23001
179: ok 23002
179: ok 23003
179: ok 23004
179: ok 23005
179: ok 23006
179: ok 23007
179: ok 23008
179: ok 23009
179: ok 23010
179: ok 23011
179: ok 23012
179: ok 23013
179: ok 23014
179: ok 23015
179: ok 23016
179: ok 23017
179: ok 23018
179: ok 23019
179: ok 23020
179: ok 23021
179: ok 23022
179: ok 23023
179: ok 23024
179: ok 23025
179: ok 23026
179: ok 23027
179: ok 23028
179: ok 23029
179: ok 23030
179: ok 23031
179: ok 23032
179: ok 23033
179: ok 23034
179: ok 23035
179: ok 23036
179: ok 23037
179: ok 23038
179: ok 23039
179: ok 23040
179: ok 23041
179: ok 23042
179: ok 23043
179: ok 23044
179: ok 23045
179: ok 23046
179: ok 23047
179: ok 23048
179: ok 23049
179: ok 23050
179: ok 23051
179: ok 23052
179: ok 23053
179: ok 23054
179: ok 23055
179: ok 23056
179: ok 23057
179: ok 23058
179: ok 23059
179: ok 23060
179: ok 23061
179: ok 23062
179: ok 23063
179: ok 23064
179: ok 23065
179: ok 23066
179: ok 23067
179: ok 23068
179: ok 23069
179: ok 23070
179: ok 23071
179: ok 23072
179: ok 23073
179: ok 23074
179: ok 23075
179: ok 23076
179: ok 23077
179: ok 23078
179: ok 23079
179: ok 23080
179: ok 23081
179: ok 23082
179: ok 23083
179: ok 23084
179: ok 23085
179: ok 23086
179: ok 23087
179: ok 23088
179: ok 23089
179: ok 23090
179: ok 23091
179: ok 23092
179: ok 23093
179: ok 23094
179: ok 23095
179: ok 23096
179: ok 23097
179: ok 23098
179: ok 23099
179: ok 23100
179: ok 23101
179: ok 23102
179: ok 23103
179: ok 23104
179: ok 23105
179: ok 23106
179: ok 23107
179: ok 23108
179: ok 23109
179: ok 23110
179: ok 23111
179: ok 23112
179: ok 23113
179: ok 23114
179: ok 23115
179: ok 23116
179: ok 23117
179: ok 23118
179: ok 23119
179: ok 23120
179: ok 23121
179: ok 23122
179: ok 23123
179: ok 23124
179: ok 23125
179: ok 23126
179: ok 23127
179: ok 23128
179: ok 23129
179: ok 23130
179: ok 23131
179: ok 23132
179: ok 23133
179: ok 23134
179: ok 23135
179: ok 23136
179: ok 23137
179: ok 23138
179: ok 23139
179: ok 23140
179: ok 23141
179: ok 23142
179: ok 23143
179: ok 23144
179: ok 23145
179: ok 23146
179: ok 23147
179: ok 23148
179: ok 23149
179: ok 23150
179: ok 23151
179: ok 23152
179: ok 23153
179: ok 23154
179: ok 23155
179: ok 23156
179: ok 23157
179: ok 23158
179: ok 23159
179: ok 23160
179: ok 23161
179: ok 23162
179: ok 23163
179: ok 23164
179: ok 23165
179: ok 23166
179: ok 23167
179: ok 23168
179: ok 23169
179: ok 23170
179: ok 23171
179: ok 23172
179: ok 23173
179: ok 23174
179: ok 23175
179: ok 23176
179: ok 23177
179: ok 23178
179: ok 23179
179: ok 23180
179: ok 23181
179: ok 23182
179: ok 23183
179: ok 23184
179: ok 23185
179: ok 23186
179: ok 23187
179: ok 23188
179: ok 23189
179: ok 23190
179: ok 23191
179: ok 23192
179: ok 23193
179: ok 23194
179: ok 23195
179: ok 23196
179: ok 23197
179: ok 23198
179: ok 23199
179: ok 23200
179: ok 23201
179: ok 23202
179: ok 23203
179: ok 23204
179: ok 23205
179: ok 23206
179: ok 23207
179: ok 23208
179: ok 23209
179: ok 23210
179: ok 23211
179: ok 23212
179: ok 23213
179: ok 23214
179: ok 23215
179: ok 23216
179: ok 23217
179: ok 23218
179: ok 23219
179: ok 23220
179: ok 23221
179: ok 23222
179: ok 23223
179: ok 23224
179: ok 23225
179: ok 23226
179: ok 23227
179: ok 23228
179: ok 23229
179: ok 23230
179: ok 23231
179: ok 23232
179: ok 23233
179: ok 23234
179: ok 23235
179: ok 23236
179: ok 23237
179: ok 23238
179: ok 23239
179: ok 23240
179: ok 23241
179: ok 23242
179: ok 23243
179: ok 23244
179: ok 23245
179: ok 23246
179: ok 23247
179: ok 23248
179: ok 23249
179: ok 23250
179: ok 23251
179: ok 23252
179: ok 23253
179: ok 23254
179: ok 23255
179: ok 23256
179: ok 23257
179: ok 23258
179: ok 23259
179: ok 23260
179: ok 23261
179: ok 23262
179: ok 23263
179: ok 23264
179: ok 23265
179: ok 23266
179: ok 23267
179: ok 23268
179: ok 23269
179: ok 23270
179: ok 23271
179: ok 23272
179: ok 23273
179: ok 23274
179: ok 23275
179: ok 23276
179: ok 23277
179: ok 23278
179: ok 23279
179: ok 23280
179: ok 23281
179: ok 23282
179: ok 23283
179: ok 23284
179: ok 23285
179: ok 23286
179: ok 23287
179: ok 23288
179: ok 23289
179: ok 23290
179: ok 23291
179: ok 23292
179: ok 23293
179: ok 23294
179: ok 23295
179: ok 23296
179: ok 23297
179: ok 23298
179: ok 23299
179: ok 23300
179: ok 23301
179: ok 23302
179: ok 23303
179: ok 23304
179: ok 23305
179: ok 23306
179: ok 23307
179: ok 23308
179: ok 23309
179: ok 23310
179: ok 23311
179: ok 23312
179: ok 23313
179: ok 23314
179: ok 23315
179: ok 23316
179: ok 23317
179: ok 23318
179: ok 23319
179: ok 23320
179: ok 23321
179: ok 23322
179: ok 23323
179: ok 23324
179: ok 23325
179: ok 23326
179: ok 23327
179: ok 23328
179: ok 23329
179: ok 23330
179: ok 23331
179: ok 23332
179: ok 23333
179: ok 23334
179: ok 23335
179: ok 23336
179: ok 23337
179: ok 23338
179: ok 23339
179: ok 23340
179: ok 23341
179: ok 23342
179: ok 23343
179: ok 23344
179: ok 23345
179: ok 23346
179: ok 23347
179: ok 23348
179: ok 23349
179: ok 23350
179: ok 23351
179: ok 23352
179: ok 23353
179: ok 23354
179: ok 23355
179: ok 23356
179: ok 23357
179: ok 23358
179: ok 23359
179: ok 23360
179: ok 23361
179: ok 23362
179: ok 23363
179: ok 23364
179: ok 23365
179: ok 23366
179: ok 23367
179: ok 23368
179: ok 23369
179: ok 23370
179: ok 23371
179: ok 23372
179: ok 23373
179: ok 23374
179: ok 23375
179: ok 23376
179: ok 23377
179: ok 23378
179: ok 23379
179: ok 23380
179: ok 23381
179: ok 23382
179: ok 23383
179: ok 23384
179: ok 23385
179: ok 23386
179: ok 23387
179: ok 23388
179: ok 23389
179: ok 23390
179: ok 23391
179: ok 23392
179: ok 23393
179: ok 23394
179: ok 23395
179: ok 23396
179: ok 23397
179: ok 23398
179: ok 23399
179: ok 23400
179: ok 23401
179: ok 23402
179: ok 23403
179: ok 23404
179: ok 23405
179: ok 23406
179: ok 23407
179: ok 23408
179: ok 23409
179: ok 23410
179: ok 23411
179: ok 23412
179: ok 23413
179: ok 23414
179: ok 23415
179: ok 23416
179: ok 23417
179: ok 23418
179: ok 23419
179: ok 23420
179: ok 23421
179: ok 23422
179: ok 23423
179: ok 23424
179: ok 23425
179: ok 23426
179: ok 23427
179: ok 23428
179: ok 23429
179: ok 23430
179: ok 23431
179: ok 23432
179: ok 23433
179: ok 23434
179: ok 23435
179: ok 23436
179: ok 23437
179: ok 23438
179: ok 23439
179: ok 23440
179: ok 23441
179: ok 23442
179: ok 23443
179: ok 23444
179: ok 23445
179: ok 23446
179: ok 23447
179: ok 23448
179: ok 23449
179: ok 23450
179: ok 23451
179: ok 23452
179: ok 23453
179: ok 23454
179: ok 23455
179: ok 23456
179: ok 23457
179: ok 23458
179: ok 23459
179: ok 23460
179: ok 23461
179: ok 23462
179: ok 23463
179: ok 23464
179: ok 23465
179: ok 23466
179: ok 23467
179: ok 23468
179: ok 23469
179: ok 23470
179: ok 23471
179: ok 23472
179: ok 23473
179: ok 23474
179: ok 23475
179: ok 23476
179: ok 23477
179: ok 23478
179: ok 23479
179: ok 23480
179: ok 23481
179: ok 23482
179: ok 23483
179: ok 23484
179: ok 23485
179: ok 23486
179: ok 23487
179: ok 23488
179: ok 23489
179: ok 23490
179: ok 23491
179: ok 23492
179: ok 23493
179: ok 23494
179: ok 23495
179: ok 23496
179: ok 23497
179: ok 23498
179: ok 23499
179: ok 23500
179: ok 23501
179: ok 23502
179: ok 23503
179: ok 23504
179: ok 23505
179: ok 23506
179: ok 23507
179: ok 23508
179: ok 23509
179: ok 23510
179: ok 23511
179: ok 23512
179: ok 23513
179: ok 23514
179: ok 23515
179: ok 23516
179: ok 23517
179: ok 23518
179: ok 23519
179: ok 23520
179: ok 23521
179: ok 23522
179: ok 23523
179: ok 23524
179: ok 23525
179: ok 23526
179: ok 23527
179: ok 23528
179: ok 23529
179: ok 23530
179: ok 23531
179: ok 23532
179: ok 23533
179: ok 23534
179: ok 23535
179: ok 23536
179: ok 23537
179: ok 23538
179: ok 23539
179: ok 23540
179: ok 23541
179: ok 23542
179: ok 23543
179: ok 23544
179: ok 23545
179: ok 23546
179: ok 23547
179: ok 23548
179: ok 23549
179: ok 23550
179: ok 23551
179: ok 23552
179: ok 23553
179: ok 23554
179: ok 23555
179: ok 23556
179: ok 23557
179: ok 23558
179: ok 23559
179: ok 23560
179: ok 23561
179: ok 23562
179: ok 23563
179: ok 23564
179: ok 23565
179: ok 23566
179: ok 23567
179: ok 23568
179: ok 23569
179: ok 23570
179: ok 23571
179: ok 23572
179: ok 23573
179: ok 23574
179: ok 23575
179: ok 23576
179: ok 23577
179: ok 23578
179: ok 23579
179: ok 23580
179: ok 23581
179: ok 23582
179: ok 23583
179: ok 23584
179: ok 23585
179: ok 23586
179: ok 23587
179: ok 23588
179: ok 23589
179: ok 23590
179: ok 23591
179: ok 23592
179: ok 23593
179: ok 23594
179: ok 23595
179: ok 23596
179: ok 23597
179: ok 23598
179: ok 23599
179: ok 23600
179: ok 23601
179: ok 23602
179: ok 23603
179: ok 23604
179: ok 23605
179: ok 23606
179: ok 23607
179: ok 23608
179: ok 23609
179: ok 23610
179: ok 23611
179: ok 23612
179: ok 23613
179: ok 23614
179: ok 23615
179: ok 23616
179: ok 23617
179: ok 23618
179: ok 23619
179: ok 23620
179: ok 23621
179: ok 23622
179: ok 23623
179: ok 23624
179: ok 23625
179: ok 23626
179: ok 23627
179: ok 23628
179: ok 23629
179: ok 23630
179: ok 23631
179: ok 23632
179: ok 23633
179: ok 23634
179: ok 23635
179: ok 23636
179: ok 23637
179: ok 23638
179: ok 23639
179: ok 23640
179: ok 23641
179: ok 23642
179: ok 23643
179: ok 23644
179: ok 23645
179: ok 23646
179: ok 23647
179: ok 23648
179: ok 23649
179: ok 23650
179: ok 23651
179: ok 23652
179: ok 23653
179: ok 23654
179: ok 23655
179: ok 23656
179: ok 23657
179: ok 23658
179: ok 23659
179: ok 23660
179: ok 23661
179: ok 23662
179: ok 23663
179: ok 23664
179: ok 23665
179: ok 23666
179: ok 23667
179: ok 23668
179: ok 23669
179: ok 23670
179: ok 23671
179: ok 23672
179: ok 23673
179: ok 23674
179: ok 23675
179: ok 23676
179: ok 23677
179: ok 23678
179: ok 23679
179: ok 23680
179: ok 23681
179: ok 23682
179: ok 23683
179: ok 23684
179: ok 23685
179: ok 23686
179: ok 23687
179: ok 23688
179: ok 23689
179: ok 23690
179: ok 23691
179: ok 23692
179: ok 23693
179: ok 23694
179: ok 23695
179: ok 23696
179: ok 23697
179: ok 23698
179: ok 23699
179: ok 23700
179: ok 23701
179: ok 23702
179: ok 23703
179: ok 23704
179: ok 23705
179: ok 23706
179: ok 23707
179: ok 23708
179: ok 23709
179: ok 23710
179: ok 23711
179: ok 23712
179: ok 23713
179: ok 23714
179: ok 23715
179: ok 23716
179: ok 23717
179: ok 23718
179: ok 23719
179: ok 23720
179: ok 23721
179: ok 23722
179: ok 23723
179: ok 23724
179: ok 23725
179: ok 23726
179: ok 23727
179: ok 23728
179: ok 23729
179: ok 23730
179: ok 23731
179: ok 23732
179: ok 23733
179: ok 23734
179: ok 23735
179: ok 23736
179: ok 23737
179: ok 23738
179: ok 23739
179: ok 23740
179: ok 23741
179: ok 23742
179: ok 23743
179: ok 23744
179: ok 23745
179: ok 23746
179: ok 23747
179: ok 23748
179: ok 23749
179: ok 23750
179: ok 23751
179: ok 23752
179: ok 23753
179: ok 23754
179: ok 23755
179: ok 23756
179: ok 23757
179: ok 23758
179: ok 23759
179: ok 23760
179: ok 23761
179: ok 23762
179: ok 23763
179: ok 23764
179: ok 23765
179: ok 23766
179: ok 23767
179: ok 23768
179: ok 23769
179: ok 23770
179: ok 23771
179: ok 23772
179: ok 23773
179: ok 23774
179: ok 23775
179: ok 23776
179: ok 23777
179: ok 23778
179: ok 23779
179: ok 23780
179: ok 23781
179: ok 23782
179: ok 23783
179: ok 23784
179: ok 23785
179: ok 23786
179: ok 23787
179: ok 23788
179: ok 23789
179: ok 23790
179: ok 23791
179: ok 23792
179: ok 23793
179: ok 23794
179: ok 23795
179: ok 23796
179: ok 23797
179: ok 23798
179: ok 23799
179: ok 23800
179: ok 23801
179: ok 23802
179: ok 23803
179: ok 23804
179: ok 23805
179: ok 23806
179: ok 23807
179: ok 23808
179: ok 23809
179: ok 23810
179: ok 23811
179: ok 23812
179: ok 23813
179: ok 23814
179: ok 23815
179: ok 23816
179: ok 23817
179: ok 23818
179: ok 23819
179: ok 23820
179: ok 23821
179: ok 23822
179: ok 23823
179: ok 23824
179: ok 23825
179: ok 23826
179: ok 23827
179: ok 23828
179: ok 23829
179: ok 23830
179: ok 23831
179: ok 23832
179: ok 23833
179: ok 23834
179: ok 23835
179: ok 23836
179: ok 23837
179: ok 23838
179: ok 23839
179: ok 23840
179: ok 23841
179: ok 23842
179: ok 23843
179: ok 23844
179: ok 23845
179: ok 23846
179: ok 23847
179: ok 23848
179: ok 23849
179: ok 23850
179: ok 23851
179: ok 23852
179: ok 23853
179: ok 23854
179: ok 23855
179: ok 23856
179: ok 23857
179: ok 23858
179: ok 23859
179: ok 23860
179: ok 23861
179: ok 23862
179: ok 23863
179: ok 23864
179: ok 23865
179: ok 23866
179: ok 23867
179: ok 23868
179: ok 23869
179: ok 23870
179: ok 23871
179: ok 23872
179: ok 23873
179: ok 23874
179: ok 23875
179: ok 23876
179: ok 23877
179: ok 23878
179: ok 23879
179: ok 23880
179: ok 23881
179: ok 23882
179: ok 23883
179: ok 23884
179: ok 23885
179: ok 23886
179: ok 23887
179: ok 23888
179: ok 23889
179: ok 23890
179: ok 23891
179: ok 23892
179: ok 23893
179: ok 23894
179: ok 23895
179: ok 23896
179: ok 23897
179: ok 23898
179: ok 23899
179: ok 23900
179: ok 23901
179: ok 23902
179: ok 23903
179: ok 23904
179: ok 23905
179: ok 23906
179: ok 23907
179: ok 23908
179: ok 23909
179: ok 23910
179: ok 23911
179: ok 23912
179: ok 23913
179: ok 23914
179: ok 23915
179: ok 23916
179: ok 23917
179: ok 23918
179: ok 23919
179: ok 23920
179: ok 23921
179: ok 23922
179: ok 23923
179: ok 23924
179: ok 23925
179: ok 23926
179: ok 23927
179: ok 23928
179: ok 23929
179: ok 23930
179: ok 23931
179: ok 23932
179: ok 23933
179: ok 23934
179: ok 23935
179: ok 23936
179: ok 23937
179: ok 23938
179: ok 23939
179: ok 23940
179: ok 23941
179: ok 23942
179: ok 23943
179: ok 23944
179: ok 23945
179: ok 23946
179: ok 23947
179: ok 23948
179: ok 23949
179: ok 23950
179: ok 23951
179: ok 23952
179: ok 23953
179: ok 23954
179: ok 23955
179: ok 23956
179: ok 23957
179: ok 23958
179: ok 23959
179: ok 23960
179: ok 23961
179: ok 23962
179: ok 23963
179: ok 23964
179: ok 23965
179: ok 23966
179: ok 23967
179: ok 23968
179: ok 23969
179: ok 23970
179: ok 23971
179: ok 23972
179: ok 23973
179: ok 23974
179: ok 23975
179: ok 23976
179: ok 23977
179: ok 23978
179: ok 23979
179: ok 23980
179: ok 23981
179: ok 23982
179: ok 23983
179: ok 23984
179: ok 23985
179: ok 23986
179: ok 23987
179: ok 23988
179: ok 23989
179: ok 23990
179: ok 23991
179: ok 23992
179: ok 23993
179: ok 23994
179: ok 23995
179: ok 23996
179: ok 23997
179: ok 23998
179: ok 23999
179: ok 24000
179: ok 24001
179: ok 24002
179: ok 24003
179: ok 24004
179: ok 24005
179: ok 24006
179: ok 24007
179: ok 24008
179: ok 24009
179: ok 24010
179: ok 24011
179: ok 24012
179: ok 24013
179: ok 24014
179: ok 24015
179: ok 24016
179: ok 24017
179: ok 24018
179: ok 24019
179: ok 24020
179: ok 24021
179: ok 24022
179: ok 24023
179: ok 24024
179: ok 24025
179: ok 24026
179: ok 24027
179: ok 24028
179: ok 24029
179: ok 24030
179: ok 24031
179: ok 24032
179: ok 24033
179: ok 24034
179: ok 24035
179: ok 24036
179: ok 24037
179: ok 24038
179: ok 24039
179: ok 24040
179: ok 24041
179: ok 24042
179: ok 24043
179: ok 24044
179: ok 24045
179: ok 24046
179: ok 24047
179: ok 24048
179: ok 24049
179: ok 24050
179: ok 24051
179: ok 24052
179: ok 24053
179: ok 24054
179: ok 24055
179: ok 24056
179: ok 24057
179: ok 24058
179: ok 24059
179: ok 24060
179: ok 24061
179: ok 24062
179: ok 24063
179: ok 24064
179: ok 24065
179: ok 24066
179: ok 24067
179: ok 24068
179: ok 24069
179: ok 24070
179: ok 24071
179: ok 24072
179: ok 24073
179: ok 24074
179: ok 24075
179: ok 24076
179: ok 24077
179: ok 24078
179: ok 24079
179: ok 24080
179: ok 24081
179: ok 24082
179: ok 24083
179: ok 24084
179: ok 24085
179: ok 24086
179: ok 24087
179: ok 24088
179: ok 24089
179: ok 24090
179: ok 24091
179: ok 24092
179: ok 24093
179: ok 24094
179: ok 24095
179: ok 24096
179: ok 24097
179: ok 24098
179: ok 24099
179: ok 24100
179: ok 24101
179: ok 24102
179: ok 24103
179: ok 24104
179: ok 24105
179: ok 24106
179: ok 24107
179: ok 24108
179: ok 24109
179: ok 24110
179: ok 24111
179: ok 24112
179: ok 24113
179: ok 24114
179: ok 24115
179: ok 24116
179: ok 24117
179: ok 24118
179: ok 24119
179: ok 24120
179: ok 24121
179: ok 24122
179: ok 24123
179: ok 24124
179: ok 24125
179: ok 24126
179: ok 24127
179: ok 24128
179: ok 24129
179: ok 24130
179: ok 24131
179: ok 24132
179: ok 24133
179: ok 24134
179: ok 24135
179: ok 24136
179: ok 24137
179: ok 24138
179: ok 24139
179: ok 24140
179: ok 24141
179: ok 24142
179: ok 24143
179: ok 24144
179: ok 24145
179: ok 24146
179: ok 24147
179: ok 24148
179: ok 24149
179: ok 24150
179: ok 24151
179: ok 24152
179: ok 24153
179: ok 24154
179: ok 24155
179: ok 24156
179: ok 24157
179: ok 24158
179: ok 24159
179: ok 24160
179: ok 24161
179: ok 24162
179: ok 24163
179: ok 24164
179: ok 24165
179: ok 24166
179: ok 24167
179: ok 24168
179: ok 24169
179: ok 24170
179: ok 24171
179: ok 24172
179: ok 24173
179: ok 24174
179: ok 24175
179: ok 24176
179: ok 24177
179: ok 24178
179: ok 24179
179: ok 24180
179: ok 24181
179: ok 24182
179: ok 24183
179: ok 24184
179: ok 24185
179: ok 24186
179: ok 24187
179: ok 24188
179: ok 24189
179: ok 24190
179: ok 24191
179: ok 24192
179: ok 24193
179: ok 24194
179: ok 24195
179: ok 24196
179: ok 24197
179: ok 24198
179: ok 24199
179: ok 24200
179: ok 24201
179: ok 24202
179: ok 24203
179: ok 24204
179: ok 24205
179: ok 24206
179: ok 24207
179: ok 24208
179: ok 24209
179: ok 24210
179: ok 24211
179: ok 24212
179: ok 24213
179: ok 24214
179: ok 24215
179: ok 24216
179: ok 24217
179: ok 24218
179: ok 24219
179: ok 24220
179: ok 24221
179: ok 24222
179: ok 24223
179: ok 24224
179: ok 24225
179: ok 24226
179: ok 24227
179: ok 24228
179: ok 24229
179: ok 24230
179: ok 24231
179: ok 24232
179: ok 24233
179: ok 24234
179: ok 24235
179: ok 24236
179: ok 24237
179: ok 24238
179: ok 24239
179: ok 24240
179: ok 24241
179: ok 24242
179: ok 24243
179: ok 24244
179: ok 24245
179: ok 24246
179: ok 24247
179: ok 24248
179: ok 24249
179: ok 24250
179: ok 24251
179: ok 24252
179: ok 24253
179: ok 24254
179: ok 24255
179: ok 24256
179: ok 24257
179: ok 24258
179: ok 24259
179: ok 24260
179: ok 24261
179: ok 24262
179: ok 24263
179: ok 24264
179: ok 24265
179: ok 24266
179: ok 24267
179: ok 24268
179: ok 24269
179: ok 24270
179: ok 24271
179: ok 24272
179: ok 24273
179: ok 24274
179: ok 24275
179: ok 24276
179: ok 24277
179: ok 24278
179: ok 24279
179: ok 24280
179: ok 24281
179: ok 24282
179: ok 24283
179: ok 24284
179: ok 24285
179: ok 24286
179: ok 24287
179: ok 24288
179: ok 24289
179: ok 24290
179: ok 24291
179: ok 24292
179: ok 24293
179: ok 24294
179: ok 24295
179: ok 24296
179: ok 24297
179: ok 24298
179: ok 24299
179: ok 24300
179: ok 24301
179: ok 24302
179: ok 24303
179: ok 24304
179: ok 24305
179: ok 24306
179: ok 24307
179: ok 24308
179: ok 24309
179: ok 24310
179: ok 24311
179: ok 24312
179: ok 24313
179: ok 24314
179: ok 24315
179: ok 24316
179: ok 24317
179: ok 24318
179: ok 24319
179: ok 24320
179: ok 24321
179: ok 24322
179: ok 24323
179: ok 24324
179: ok 24325
179: ok 24326
179: ok 24327
179: ok 24328
179: ok 24329
179: ok 24330
179: ok 24331
179: ok 24332
179: ok 24333
179: ok 24334
179: ok 24335
179: ok 24336
179: ok 24337
179: ok 24338
179: ok 24339
179: ok 24340
179: ok 24341
179: ok 24342
179: ok 24343
179: ok 24344
179: ok 24345
179: ok 24346
179: ok 24347
179: ok 24348
179: ok 24349
179: ok 24350
179: ok 24351
179: ok 24352
179: ok 24353
179: ok 24354
179: ok 24355
179: ok 24356
179: ok 24357
179: ok 24358
179: ok 24359
179: ok 24360
179: ok 24361
179: ok 24362
179: ok 24363
179: ok 24364
179: ok 24365
179: ok 24366
179: ok 24367
179: ok 24368
179: ok 24369
179: ok 24370
179: ok 24371
179: ok 24372
179: ok 24373
179: ok 24374
179: ok 24375
179: ok 24376
179: ok 24377
179: ok 24378
179: ok 24379
179: ok 24380
179: ok 24381
179: ok 24382
179: ok 24383
179: ok 24384
179: ok 24385
179: ok 24386
179: ok 24387
179: ok 24388
179: ok 24389
179: ok 24390
179: ok 24391
179: ok 24392
179: ok 24393
179: ok 24394
179: ok 24395
179: ok 24396
179: ok 24397
179: ok 24398
179: ok 24399
179: ok 24400
179: ok 24401
179: ok 24402
179: ok 24403
179: ok 24404
179: ok 24405
179: ok 24406
179: ok 24407
179: ok 24408
179: ok 24409
179: ok 24410
179: ok 24411
179: ok 24412
179: ok 24413
179: ok 24414
179: ok 24415
179: ok 24416
179: ok 24417
179: ok 24418
179: ok 24419
179: ok 24420
179: ok 24421
179: ok 24422
179: ok 24423
179: ok 24424
179: ok 24425
179: ok 24426
179: ok 24427
179: ok 24428
179: ok 24429
179: ok 24430
179: ok 24431
179: ok 24432
179: ok 24433
179: ok 24434
179: ok 24435
179: ok 24436
179: ok 24437
179: ok 24438
179: ok 24439
179: ok 24440
179: ok 24441
179: ok 24442
179: ok 24443
179: ok 24444
179: ok 24445
179: ok 24446
179: ok 24447
179: ok 24448
179: ok 24449
179: ok 24450
179: ok 24451
179: ok 24452
179: ok 24453
179: ok 24454
179: ok 24455
179: ok 24456
179: ok 24457
179: ok 24458
179: ok 24459
179: ok 24460
179: ok 24461
179: ok 24462
179: ok 24463
179: ok 24464
179: ok 24465
179: ok 24466
179: ok 24467
179: ok 24468
179: ok 24469
179: ok 24470
179: ok 24471
179: ok 24472
179: ok 24473
179: ok 24474
179: ok 24475
179: ok 24476
179: ok 24477
179: ok 24478
179: ok 24479
179: ok 24480
179: ok 24481
179: ok 24482
179: ok 24483
179: ok 24484
179: ok 24485
179: ok 24486
179: ok 24487
179: ok 24488
179: ok 24489
179: ok 24490
179: ok 24491
179: ok 24492
179: ok 24493
179: ok 24494
179: ok 24495
179: ok 24496
179: ok 24497
179: ok 24498
179: ok 24499
179: ok 24500
179: ok 24501
179: ok 24502
179: ok 24503
179: ok 24504
179: ok 24505
179: ok 24506
179: ok 24507
179: ok 24508
179: ok 24509
179: ok 24510
179: ok 24511
179: ok 24512
179: ok 24513
179: ok 24514
179: ok 24515
179: ok 24516
179: ok 24517
179: ok 24518
179: ok 24519
179: ok 24520
179: ok 24521
179: ok 24522
179: ok 24523
179: ok 24524
179: ok 24525
179: ok 24526
179: ok 24527
179: ok 24528
179: ok 24529
179: ok 24530
179: ok 24531
179: ok 24532
179: ok 24533
179: ok 24534
179: ok 24535
179: ok 24536
179: ok 24537
179: ok 24538
179: ok 24539
179: ok 24540
179: ok 24541
179: ok 24542
179: ok 24543
179: ok 24544
179: ok 24545
179: ok 24546
179: ok 24547
179: ok 24548
179: ok 24549
179: ok 24550
179: ok 24551
179: ok 24552
179: ok 24553
179: ok 24554
179: ok 24555
179: ok 24556
179: ok 24557
179: ok 24558
179: ok 24559
179: ok 24560
179: ok 24561
179: ok 24562
179: ok 24563
179: ok 24564
179: ok 24565
179: ok 24566
179: ok 24567
179: ok 24568
179: ok 24569
179: ok 24570
179: ok 24571
179: ok 24572
179: ok 24573
179: ok 24574
179: ok 24575
179: ok 24576
179: ok 24577
179: ok 24578
179: ok 24579
179: ok 24580
179: ok 24581
179: ok 24582
179: ok 24583
179: ok 24584
179: ok 24585
179: ok 24586
179: ok 24587
179: ok 24588
179: ok 24589
179: ok 24590
179: ok 24591
179: ok 24592
179: ok 24593
179: ok 24594
179: ok 24595
179: ok 24596
179: ok 24597
179: ok 24598
179: ok 24599
179: ok 24600
179: ok 24601
179: ok 24602
179: ok 24603
179: ok 24604
179: ok 24605
179: ok 24606
179: ok 24607
179: ok 24608
179: ok 24609
179: ok 24610
179: ok 24611
179: ok 24612
179: ok 24613
179: ok 24614
179: ok 24615
179: ok 24616
179: ok 24617
179: ok 24618
179: ok 24619
179: ok 24620
179: ok 24621
179: ok 24622
179: ok 24623
179: ok 24624
179: ok 24625
179: ok 24626
179: ok 24627
179: ok 24628
179: ok 24629
179: ok 24630
179: ok 24631
179: ok 24632
179: ok 24633
179: ok 24634
179: ok 24635
179: ok 24636
179: ok 24637
179: ok 24638
179: ok 24639
179: ok 24640
179: ok 24641
179: ok 24642
179: ok 24643
179: ok 24644
179: ok 24645
179: ok 24646
179: ok 24647
179: ok 24648
179: ok 24649
179: ok 24650
179: ok 24651
179: ok 24652
179: ok 24653
179: ok 24654
179: ok 24655
179: ok 24656
179: ok 24657
179: ok 24658
179: ok 24659
179: ok 24660
179: ok 24661
179: ok 24662
179: ok 24663
179: ok 24664
179: ok 24665
179: ok 24666
179: ok 24667
179: ok 24668
179: ok 24669
179: ok 24670
179: ok 24671
179: ok 24672
179: ok 24673
179: ok 24674
179: ok 24675
179: ok 24676
179: ok 24677
179: ok 24678
179: ok 24679
179: ok 24680
179: ok 24681
179: ok 24682
179: ok 24683
179: ok 24684
179: ok 24685
179: ok 24686
179: ok 24687
179: ok 24688
179: ok 24689
179: ok 24690
179: ok 24691
179: ok 24692
179: ok 24693
179: ok 24694
179: ok 24695
179: ok 24696
179: ok 24697
179: ok 24698
179: ok 24699
179: ok 24700
179: ok 24701
179: ok 24702
179: ok 24703
179: ok 24704
179: ok 24705
179: ok 24706
179: ok 24707
179: ok 24708
179: ok 24709
179: ok 24710
179: ok 24711
179: ok 24712
179: ok 24713
179: ok 24714
179: ok 24715
179: ok 24716
179: ok 24717
179: ok 24718
179: ok 24719
179: ok 24720
179: ok 24721
179: ok 24722
179: ok 24723
179: ok 24724
179: ok 24725
179: ok 24726
179: ok 24727
179: ok 24728
179: ok 24729
179: ok 24730
179: ok 24731
179: ok 24732
179: ok 24733
179: ok 24734
179: ok 24735
179: ok 24736
179: ok 24737
179: ok 24738
179: ok 24739
179: ok 24740
179: ok 24741
179: ok 24742
179: ok 24743
179: ok 24744
179: ok 24745
179: ok 24746
179: ok 24747
179: ok 24748
179: ok 24749
179: ok 24750
179: ok 24751
179: ok 24752
179: ok 24753
179: ok 24754
179: ok 24755
179: ok 24756
179: ok 24757
179: ok 24758
179: ok 24759
179: ok 24760
179: ok 24761
179: ok 24762
179: ok 24763
179: ok 24764
179: ok 24765
179: ok 24766
179: ok 24767
179: ok 24768
179: ok 24769
179: ok 24770
179: ok 24771
179: ok 24772
179: ok 24773
179: ok 24774
179: ok 24775
179: ok 24776
179: ok 24777
179: ok 24778
179: ok 24779
179: ok 24780
179: ok 24781
179: ok 24782
179: ok 24783
179: ok 24784
179: ok 24785
179: ok 24786
179: ok 24787
179: ok 24788
179: ok 24789
179: ok 24790
179: ok 24791
179: ok 24792
179: ok 24793
179: ok 24794
179: ok 24795
179: ok 24796
179: ok 24797
179: ok 24798
179: ok 24799
179: ok 24800
179: ok 24801
179: ok 24802
179: ok 24803
179: ok 24804
179: ok 24805
179: ok 24806
179: ok 24807
179: ok 24808
179: ok 24809
179: ok 24810
179: ok 24811
179: ok 24812
179: ok 24813
179: ok 24814
179: ok 24815
179: ok 24816
179: ok 24817
179: ok 24818
179: ok 24819
179: ok 24820
179: ok 24821
179: ok 24822
179: ok 24823
179: ok 24824
179: ok 24825
179: ok 24826
179: ok 24827
179: ok 24828
179: ok 24829
179: ok 24830
179: ok 24831
179: ok 24832
179: ok 24833
179: ok 24834
179: ok 24835
179: ok 24836
179: ok 24837
179: ok 24838
179: ok 24839
179: ok 24840
179: ok 24841
179: ok 24842
179: ok 24843
179: ok 24844
179: ok 24845
179: ok 24846
179: ok 24847
179: ok 24848
179: ok 24849
179: ok 24850
179: ok 24851
179: ok 24852
179: ok 24853
179: ok 24854
179: ok 24855
179: ok 24856
179: ok 24857
179: ok 24858
179: ok 24859
179: ok 24860
179: ok 24861
179: ok 24862
179: ok 24863
179: ok 24864
179: ok 24865
179: ok 24866
179: ok 24867
179: ok 24868
179: ok 24869
179: ok 24870
179: ok 24871
179: ok 24872
179: ok 24873
179: ok 24874
179: ok 24875
179: ok 24876
179: ok 24877
179: ok 24878
179: ok 24879
179: ok 24880
179: ok 24881
179: ok 24882
179: ok 24883
179: ok 24884
179: ok 24885
179: ok 24886
179: ok 24887
179: ok 24888
179: ok 24889
179: ok 24890
179: ok 24891
179: ok 24892
179: ok 24893
179: ok 24894
179: ok 24895
179: ok 24896
179: ok 24897
179: ok 24898
179: ok 24899
179: ok 24900
179: ok 24901
179: ok 24902
179: ok 24903
179: ok 24904
179: ok 24905
179: ok 24906
179: ok 24907
179: ok 24908
179: ok 24909
179: ok 24910
179: ok 24911
179: ok 24912
179: ok 24913
179: ok 24914
179: ok 24915
179: ok 24916
179: ok 24917
179: ok 24918
179: ok 24919
179: ok 24920
179: ok 24921
179: ok 24922
179: ok 24923
179: ok 24924
179: ok 24925
179: ok 24926
179: ok 24927
179: ok 24928
179: ok 24929
179: ok 24930
179: ok 24931
179: ok 24932
179: ok 24933
179: ok 24934
179: ok 24935
179: ok 24936
179: ok 24937
179: ok 24938
179: ok 24939
179: ok 24940
179: ok 24941
179: ok 24942
179: ok 24943
179: ok 24944
179: ok 24945
179: ok 24946
179: ok 24947
179: ok 24948
179: ok 24949
179: ok 24950
179: ok 24951
179: ok 24952
179: ok 24953
179: ok 24954
179: ok 24955
179: ok 24956
179: ok 24957
179: ok 24958
179: ok 24959
179: ok 24960
179: ok 24961
179: ok 24962
179: ok 24963
179: ok 24964
179: ok 24965
179: ok 24966
179: ok 24967
179: ok 24968
179: ok 24969
179: ok 24970
179: ok 24971
179: ok 24972
179: ok 24973
179: ok 24974
179: ok 24975
179: ok 24976
179: ok 24977
179: ok 24978
179: ok 24979
179: ok 24980
179: ok 24981
179: ok 24982
179: ok 24983
179: ok 24984
179: ok 24985
179: ok 24986
179: ok 24987
179: ok 24988
179: ok 24989
179: ok 24990
179: ok 24991
179: ok 24992
179: ok 24993
179: ok 24994
179: ok 24995
179: ok 24996
179: ok 24997
179: ok 24998
179: ok 24999
179: ok 25000
179: ok 25001
179: ok 25002
179: ok 25003
179: ok 25004
179: ok 25005
179: ok 25006
179: ok 25007
179: ok 25008
179: ok 25009
179: ok 25010
179: ok 25011
179: ok 25012
179: ok 25013
179: ok 25014
179: ok 25015
179: ok 25016
179: ok 25017
179: ok 25018
179: ok 25019
179: ok 25020
179: ok 25021
179: ok 25022
179: ok 25023
179: ok 25024
179: ok 25025
179: ok 25026
179: ok 25027
179: ok 25028
179: ok 25029
179: ok 25030
179: ok 25031
179: ok 25032
179: ok 25033
179: ok 25034
179: ok 25035
179: ok 25036
179: ok 25037
179: ok 25038
179: ok 25039
179: ok 25040
179: ok 25041
179: ok 25042
179: ok 25043
179: ok 25044
179: ok 25045
179: ok 25046
179: ok 25047
179: ok 25048
179: ok 25049
179: ok 25050
179: ok 25051
179: ok 25052
179: ok 25053
179: ok 25054
179: ok 25055
179: ok 25056
179: ok 25057
179: ok 25058
179: ok 25059
179: ok 25060
179: ok 25061
179: ok 25062
179: ok 25063
179: ok 25064
179: ok 25065
179: ok 25066
179: ok 25067
179: ok 25068
179: ok 25069
179: ok 25070
179: ok 25071
179: ok 25072
179: ok 25073
179: ok 25074
179: ok 25075
179: ok 25076
179: ok 25077
179: ok 25078
179: ok 25079
179: ok 25080
179: ok 25081
179: ok 25082
179: ok 25083
179: ok 25084
179: ok 25085
179: ok 25086
179: ok 25087
179: ok 25088
179: ok 25089
179: ok 25090
179: ok 25091
179: ok 25092
179: ok 25093
179: ok 25094
179: ok 25095
179: ok 25096
179: ok 25097
179: ok 25098
179: ok 25099
179: ok 25100
179: ok 25101
179: ok 25102
179: ok 25103
179: ok 25104
179: ok 25105
179: ok 25106
179: ok 25107
179: ok 25108
179: ok 25109
179: ok 25110
179: ok 25111
179: ok 25112
179: ok 25113
179: ok 25114
179: ok 25115
179: ok 25116
179: ok 25117
179: ok 25118
179: ok 25119
179: ok 25120
179: ok 25121
179: ok 25122
179: ok 25123
179: ok 25124
179: ok 25125
179: ok 25126
179: ok 25127
179: ok 25128
179: ok 25129
179: ok 25130
179: ok 25131
179: ok 25132
179: ok 25133
179: ok 25134
179: ok 25135
179: ok 25136
179: ok 25137
179: ok 25138
179: ok 25139
179: ok 25140
179: ok 25141
179: ok 25142
179: ok 25143
179: ok 25144
179: ok 25145
179: ok 25146
179: ok 25147
179: ok 25148
179: ok 25149
179: ok 25150
179: ok 25151
179: ok 25152
179: ok 25153
179: ok 25154
179: ok 25155
179: ok 25156
179: ok 25157
179: ok 25158
179: ok 25159
179: ok 25160
179: ok 25161
179: ok 25162
179: ok 25163
179: ok 25164
179: ok 25165
179: ok 25166
179: ok 25167
179: ok 25168
179: ok 25169
179: ok 25170
179: ok 25171
179: ok 25172
179: ok 25173
179: ok 25174
179: ok 25175
179: ok 25176
179: ok 25177
179: ok 25178
179: ok 25179
179: ok 25180
179: ok 25181
179: ok 25182
179: ok 25183
179: ok 25184
179: ok 25185
179: ok 25186
179: ok 25187
179: ok 25188
179: ok 25189
179: ok 25190
179: ok 25191
179: ok 25192
179: ok 25193
179: ok 25194
179: ok 25195
179: ok 25196
179: ok 25197
179: ok 25198
179: ok 25199
179: ok 25200
179: ok 25201
179: ok 25202
179: ok 25203
179: ok 25204
179: ok 25205
179: ok 25206
179: ok 25207
179: ok 25208
179: ok 25209
179: ok 25210
179: ok 25211
179: ok 25212
179: ok 25213
179: ok 25214
179: ok 25215
179: ok 25216
179: ok 25217
179: ok 25218
179: ok 25219
179: ok 25220
179: ok 25221
179: ok 25222
179: ok 25223
179: ok 25224
179: ok 25225
179: ok 25226
179: ok 25227
179: ok 25228
179: ok 25229
179: ok 25230
179: ok 25231
179: ok 25232
179: ok 25233
179: ok 25234
179: ok 25235
179: ok 25236
179: ok 25237
179: ok 25238
179: ok 25239
179: ok 25240
179: ok 25241
179: ok 25242
179: ok 25243
179: ok 25244
179: ok 25245
179: ok 25246
179: ok 25247
179: ok 25248
179: ok 25249
179: ok 25250
179: ok 25251
179: ok 25252
179: ok 25253
179: ok 25254
179: ok 25255
179: ok 25256
179: ok 25257
179: ok 25258
179: ok 25259
179: ok 25260
179: ok 25261
179: ok 25262
179: ok 25263
179: ok 25264
179: ok 25265
179: ok 25266
179: ok 25267
179: ok 25268
179: ok 25269
179: ok 25270
179: ok 25271
179: ok 25272
179: ok 25273
179: ok 25274
179: ok 25275
179: ok 25276
179: ok 25277
179: ok 25278
179: ok 25279
179: ok 25280
179: ok 25281
179: ok 25282
179: ok 25283
179: ok 25284
179: ok 25285
179: ok 25286
179: ok 25287
179: ok 25288
179: ok 25289
179: ok 25290
179: ok 25291
179: ok 25292
179: ok 25293
179: ok 25294
179: ok 25295
179: ok 25296
179: ok 25297
179: ok 25298
179: ok 25299
179: ok 25300
179: ok 25301
179: ok 25302
179: ok 25303
179: ok 25304
179: ok 25305
179: ok 25306
179: ok 25307
179: ok 25308
179: ok 25309
179: ok 25310
179: ok 25311
179: ok 25312
179: ok 25313
179: ok 25314
179: ok 25315
179: ok 25316
179: ok 25317
179: ok 25318
179: ok 25319
179: ok 25320
179: ok 25321
179: ok 25322
179: ok 25323
179: ok 25324
179: ok 25325
179: ok 25326
179: ok 25327
179: ok 25328
179: ok 25329
179: ok 25330
179: ok 25331
179: ok 25332
179: ok 25333
179: ok 25334
179: ok 25335
179: ok 25336
179: ok 25337
179: ok 25338
179: ok 25339
179: ok 25340
179: ok 25341
179: ok 25342
179: ok 25343
179: ok 25344
179: ok 25345
179: ok 25346
179: ok 25347
179: ok 25348
179: ok 25349
179: ok 25350
179: ok 25351
179: ok 25352
179: ok 25353
179: ok 25354
179: ok 25355
179: ok 25356
179: ok 25357
179: ok 25358
179: ok 25359
179: ok 25360
179: ok 25361
179: ok 25362
179: ok 25363
179: ok 25364
179: ok 25365
179: ok 25366
179: ok 25367
179: ok 25368
179: ok 25369
179: ok 25370
179: ok 25371
179: ok 25372
179: ok 25373
179: ok 25374
179: ok 25375
179: ok 25376
179: ok 25377
179: ok 25378
179: ok 25379
179: ok 25380
179: ok 25381
179: ok 25382
179: ok 25383
179: ok 25384
179: ok 25385
179: ok 25386
179: ok 25387
179: ok 25388
179: ok 25389
179: ok 25390
179: ok 25391
179: ok 25392
179: ok 25393
179: ok 25394
179: ok 25395
179: ok 25396
179: ok 25397
179: ok 25398
179: ok 25399
179: ok 25400
179: ok 25401
179: ok 25402
179: ok 25403
179: ok 25404
179: ok 25405
179: ok 25406
179: ok 25407
179: ok 25408
179: ok 25409
179: ok 25410
179: ok 25411
179: ok 25412
179: ok 25413
179: ok 25414
179: ok 25415
179: ok 25416
179: ok 25417
179: ok 25418
179: ok 25419
179: ok 25420
179: ok 25421
179: ok 25422
179: ok 25423
179: ok 25424
179: ok 25425
179: ok 25426
179: ok 25427
179: ok 25428
179: ok 25429
179: ok 25430
179: ok 25431
179: ok 25432
179: ok 25433
179: ok 25434
179: ok 25435
179: ok 25436
179: ok 25437
179: ok 25438
179: ok 25439
179: ok 25440
179: ok 25441
179: ok 25442
179: ok 25443
179: ok 25444
179: ok 25445
179: ok 25446
179: ok 25447
179: ok 25448
179: ok 25449
179: ok 25450
179: ok 25451
179: ok 25452
179: ok 25453
179: ok 25454
179: ok 25455
179: ok 25456
179: ok 25457
179: ok 25458
179: ok 25459
179: ok 25460
179: ok 25461
179: ok 25462
179: ok 25463
179: ok 25464
179: ok 25465
179: ok 25466
179: ok 25467
179: ok 25468
179: ok 25469
179: ok 25470
179: ok 25471
179: ok 25472
179: ok 25473
179: ok 25474
179: ok 25475
179: ok 25476
179: ok 25477
179: ok 25478
179: ok 25479
179: ok 25480
179: ok 25481
179: ok 25482
179: ok 25483
179: ok 25484
179: ok 25485
179: ok 25486
179: ok 25487
179: ok 25488
179: ok 25489
179: ok 25490
179: ok 25491
179: ok 25492
179: ok 25493
179: ok 25494
179: ok 25495
179: ok 25496
179: ok 25497
179: ok 25498
179: ok 25499
179: ok 25500
179: ok 25501
179: ok 25502
179: ok 25503
179: ok 25504
179: ok 25505
179: ok 25506
179: ok 25507
179: ok 25508
179: ok 25509
179: ok 25510
179: ok 25511
179: ok 25512
179: ok 25513
179: ok 25514
179: ok 25515
179: ok 25516
179: ok 25517
179: ok 25518
179: ok 25519
179: ok 25520
179: ok 25521
179: ok 25522
179: ok 25523
179: ok 25524
179: ok 25525
179: ok 25526
179: ok 25527
179: ok 25528
179: ok 25529
179: ok 25530
179: ok 25531
179: ok 25532
179: ok 25533
179: ok 25534
179: ok 25535
179: ok 25536
179: ok 25537
179: ok 25538
179: ok 25539
179: ok 25540
179: ok 25541
179: ok 25542
179: ok 25543
179: ok 25544
179: ok 25545
179: ok 25546
179: ok 25547
179: ok 25548
179: ok 25549
179: ok 25550
179: ok 25551
179: ok 25552
179: ok 25553
179: ok 25554
179: ok 25555
179: ok 25556
179: ok 25557
179: ok 25558
179: ok 25559
179: ok 25560
179: ok 25561
179: ok 25562
179: ok 25563
179: ok 25564
179: ok 25565
179: ok 25566
179: ok 25567
179: ok 25568
179: ok 25569
179: ok 25570
179: ok 25571
179: ok 25572
179: ok 25573
179: ok 25574
179: ok 25575
179: ok 25576
179: ok 25577
179: ok 25578
179: ok 25579
179: ok 25580
179: ok 25581
179: ok 25582
179: ok 25583
179: ok 25584
179: ok 25585
179: ok 25586
179: ok 25587
179: ok 25588
179: ok 25589
179: ok 25590
179: ok 25591
179: ok 25592
179: ok 25593
179: ok 25594
179: ok 25595
179: ok 25596
179: ok 25597
179: ok 25598
179: ok 25599
179: ok 25600
179: ok 25601
179: ok 25602
179: ok 25603
179: ok 25604
179: ok 25605
179: ok 25606
179: ok 25607
179: ok 25608
179: ok 25609
179: ok 25610
179: ok 25611
179: ok 25612
179: ok 25613
179: ok 25614
179: ok 25615
179: ok 25616
179: ok 25617
179: ok 25618
179: ok 25619
179: ok 25620
179: ok 25621
179: ok 25622
179: ok 25623
179: ok 25624
179: ok 25625
179: ok 25626
179: ok 25627
179: ok 25628
179: ok 25629
179: ok 25630
179: ok 25631
179: ok 25632
179: ok 25633
179: ok 25634
179: ok 25635
179: ok 25636
179: ok 25637
179: ok 25638
179: ok 25639
179: ok 25640
179: ok 25641
179: ok 25642
179: ok 25643
179: ok 25644
179: ok 25645
179: ok 25646
179: ok 25647
179: ok 25648
179: ok 25649
179: ok 25650
179: ok 25651
179: ok 25652
179: ok 25653
179: ok 25654
179: ok 25655
179: ok 25656
179: ok 25657
179: ok 25658
179: ok 25659
179: ok 25660
179: ok 25661
179: ok 25662
179: ok 25663
179: ok 25664
179: ok 25665
179: ok 25666
179: ok 25667
179: ok 25668
179: ok 25669
179: ok 25670
179: ok 25671
179: ok 25672
179: ok 25673
179: ok 25674
179: ok 25675
179: ok 25676
179: ok 25677
179: ok 25678
179: ok 25679
179: ok 25680
179: ok 25681
179: ok 25682
179: ok 25683
179: ok 25684
179: ok 25685
179: ok 25686
179: ok 25687
179: ok 25688
179: ok 25689
179: ok 25690
179: ok 25691
179: ok 25692
179: ok 25693
179: ok 25694
179: ok 25695
179: ok 25696
179: ok 25697
179: ok 25698
179: ok 25699
179: ok 25700
179: ok 25701
179: ok 25702
179: ok 25703
179: ok 25704
179: ok 25705
179: ok 25706
179: ok 25707
179: ok 25708
179: ok 25709
179: ok 25710
179: ok 25711
179: ok 25712
179: ok 25713
179: ok 25714
179: ok 25715
179: ok 25716
179: ok 25717
179: ok 25718
179: ok 25719
179: ok 25720
179: ok 25721
179: ok 25722
179: ok 25723
179: ok 25724
179: ok 25725
179: ok 25726
179: ok 25727
179: ok 25728
179: ok 25729
179: ok 25730
179: ok 25731
179: ok 25732
179: ok 25733
179: ok 25734
179: ok 25735
179: ok 25736
179: ok 25737
179: ok 25738
179: ok 25739
179: ok 25740
179: ok 25741
179: ok 25742
179: ok 25743
179: ok 25744
179: ok 25745
179: ok 25746
179: ok 25747
179: ok 25748
179: ok 25749
179: ok 25750
179: ok 25751
179: ok 25752
179: ok 25753
179: ok 25754
179: ok 25755
179: ok 25756
179: ok 25757
179: ok 25758
179: ok 25759
179: ok 25760
179: ok 25761
179: ok 25762
179: ok 25763
179: ok 25764
179: ok 25765
179: ok 25766
179: ok 25767
179: ok 25768
179: ok 25769
179: ok 25770
179: ok 25771
179: ok 25772
179: ok 25773
179: ok 25774
179: ok 25775
179: ok 25776
179: ok 25777
179: ok 25778
179: ok 25779
179: ok 25780
179: ok 25781
179: ok 25782
179: ok 25783
179: ok 25784
179: ok 25785
179: ok 25786
179: ok 25787
179: ok 25788
179: ok 25789
179: ok 25790
179: ok 25791
179: ok 25792
179: ok 25793
179: ok 25794
179: ok 25795
179: ok 25796
179: ok 25797
179: ok 25798
179: ok 25799
179: ok 25800
179: ok 25801
179: ok 25802
179: ok 25803
179: ok 25804
179: ok 25805
179: ok 25806
179: ok 25807
179: ok 25808
179: ok 25809
179: ok 25810
179: ok 25811
179: ok 25812
179: ok 25813
179: ok 25814
179: ok 25815
179: ok 25816
179: ok 25817
179: ok 25818
179: ok 25819
179: ok 25820
179: ok 25821
179: ok 25822
179: ok 25823
179: ok 25824
179: ok 25825
179: ok 25826
179: ok 25827
179: ok 25828
179: ok 25829
179: ok 25830
179: ok 25831
179: ok 25832
179: ok 25833
179: ok 25834
179: ok 25835
179: ok 25836
179: ok 25837
179: ok 25838
179: ok 25839
179: ok 25840
179: ok 25841
179: ok 25842
179: ok 25843
179: ok 25844
179: ok 25845
179: ok 25846
179: ok 25847
179: ok 25848
179: ok 25849
179: ok 25850
179: ok 25851
179: ok 25852
179: ok 25853
179: ok 25854
179: ok 25855
179: ok 25856
179: ok 25857
179: ok 25858
179: ok 25859
179: ok 25860
179: ok 25861
179: ok 25862
179: ok 25863
179: ok 25864
179: ok 25865
179: ok 25866
179: ok 25867
179: ok 25868
179: ok 25869
179: ok 25870
179: ok 25871
179: ok 25872
179: ok 25873
179: ok 25874
179: ok 25875
179: ok 25876
179: ok 25877
179: ok 25878
179: ok 25879
179: ok 25880
179: ok 25881
179: ok 25882
179: ok 25883
179: ok 25884
179: ok 25885
179: ok 25886
179: ok 25887
179: ok 25888
179: ok 25889
179: ok 25890
179: ok 25891
179: ok 25892
179: ok 25893
179: ok 25894
179: ok 25895
179: ok 25896
179: ok 25897
179: ok 25898
179: ok 25899
179: ok 25900
179: ok 25901
179: ok 25902
179: ok 25903
179: ok 25904
179: ok 25905
179: ok 25906
179: ok 25907
179: ok 25908
179: ok 25909
179: ok 25910
179: ok 25911
179: ok 25912
179: ok 25913
179: ok 25914
179: ok 25915
179: ok 25916
179: ok 25917
179: ok 25918
179: ok 25919
179: ok 25920
179: ok 25921
179: ok 25922
179: ok 25923
179: ok 25924
179: ok 25925
179: ok 25926
179: ok 25927
179: ok 25928
179: ok 25929
179: ok 25930
179: ok 25931
179: ok 25932
179: ok 25933
179: ok 25934
179: ok 25935
179: ok 25936
179: ok 25937
179: ok 25938
179: ok 25939
179: ok 25940
179: ok 25941
179: ok 25942
179: ok 25943
179: ok 25944
179: ok 25945
179: ok 25946
179: ok 25947
179: ok 25948
179: ok 25949
179: ok 25950
179: ok 25951
179: ok 25952
179: ok 25953
179: ok 25954
179: ok 25955
179: ok 25956
179: ok 25957
179: ok 25958
179: ok 25959
179: ok 25960
179: ok 25961
179: ok 25962
179: ok 25963
179: ok 25964
179: ok 25965
179: ok 25966
179: ok 25967
179: ok 25968
179: ok 25969
179: ok 25970
179: ok 25971
179: ok 25972
179: ok 25973
179: ok 25974
179: ok 25975
179: ok 25976
179: ok 25977
179: ok 25978
179: ok 25979
179: ok 25980
179: ok 25981
179: ok 25982
179: ok 25983
179: ok 25984
179: ok 25985
179: ok 25986
179: ok 25987
179: ok 25988
179: ok 25989
179: ok 25990
179: ok 25991
179: ok 25992
179: ok 25993
179: ok 25994
179: ok 25995
179: ok 25996
179: ok 25997
179: ok 25998
179: ok 25999
179: ok 26000
179: ok 26001
179: ok 26002
179: ok 26003
179: ok 26004
179: ok 26005
179: ok 26006
179: ok 26007
179: ok 26008
179: ok 26009
179: ok 26010
179: ok 26011
179: ok 26012
179: ok 26013
179: ok 26014
179: ok 26015
179: ok 26016
179: ok 26017
179: ok 26018
179: ok 26019
179: ok 26020
179: ok 26021
179: ok 26022
179: ok 26023
179: ok 26024
179: ok 26025
179: ok 26026
179: ok 26027
179: ok 26028
179: ok 26029
179: ok 26030
179: ok 26031
179: ok 26032
179: ok 26033
179: ok 26034
179: ok 26035
179: ok 26036
179: ok 26037
179: ok 26038
179: ok 26039
179: ok 26040
179: ok 26041
179: ok 26042
179: ok 26043
179: ok 26044
179: ok 26045
179: ok 26046
179: ok 26047
179: ok 26048
179: ok 26049
179: ok 26050
179: ok 26051
179: ok 26052
179: ok 26053
179: ok 26054
179: ok 26055
179: ok 26056
179: ok 26057
179: ok 26058
179: ok 26059
179: ok 26060
179: ok 26061
179: ok 26062
179: ok 26063
179: ok 26064
179: ok 26065
179: ok 26066
179: ok 26067
179: ok 26068
179: ok 26069
179: ok 26070
179: ok 26071
179: ok 26072
179: ok 26073
179: ok 26074
179: ok 26075
179: ok 26076
179: ok 26077
179: ok 26078
179: ok 26079
179: ok 26080
179: ok 26081
179: ok 26082
179: ok 26083
179: ok 26084
179: ok 26085
179: ok 26086
179: ok 26087
179: ok 26088
179: ok 26089
179: ok 26090
179: ok 26091
179: ok 26092
179: ok 26093
179: ok 26094
179: ok 26095
179: ok 26096
179: ok 26097
179: ok 26098
179: ok 26099
179: ok 26100
179: ok 26101
179: ok 26102
179: ok 26103
179: ok 26104
179: ok 26105
179: ok 26106
179: ok 26107
179: ok 26108
179: ok 26109
179: ok 26110
179: ok 26111
179: ok 26112
179: ok 26113
179: ok 26114
179: ok 26115
179: ok 26116
179: ok 26117
179: ok 26118
179: ok 26119
179: ok 26120
179: ok 26121
179: ok 26122
179: ok 26123
179: ok 26124
179: ok 26125
179: ok 26126
179: ok 26127
179: ok 26128
179: ok 26129
179: ok 26130
179: ok 26131
179: ok 26132
179: ok 26133
179: ok 26134
179: ok 26135
179: ok 26136
179: ok 26137
179: ok 26138
179: ok 26139
179: ok 26140
179: ok 26141
179: ok 26142
179: ok 26143
179: ok 26144
179: ok 26145
179: ok 26146
179: ok 26147
179: ok 26148
179: ok 26149
179: ok 26150
179: ok 26151
179: ok 26152
179: ok 26153
179: ok 26154
179: ok 26155
179: ok 26156
179: ok 26157
179: ok 26158
179: ok 26159
179: ok 26160
179: ok 26161
179: ok 26162
179: ok 26163
179: ok 26164
179: ok 26165
179: ok 26166
179: ok 26167
179: ok 26168
179: ok 26169
179: ok 26170
179: ok 26171
179: ok 26172
179: ok 26173
179: ok 26174
179: ok 26175
179: ok 26176
179: ok 26177
179: ok 26178
179: ok 26179
179: ok 26180
179: ok 26181
179: ok 26182
179: ok 26183
179: ok 26184
179: ok 26185
179: ok 26186
179: ok 26187
179: ok 26188
179: ok 26189
179: ok 26190
179: ok 26191
179: ok 26192
179: ok 26193
179: ok 26194
179: ok 26195
179: ok 26196
179: ok 26197
179: ok 26198
179: ok 26199
179: ok 26200
179: ok 26201
179: ok 26202
179: ok 26203
179: ok 26204
179: ok 26205
179: ok 26206
179: ok 26207
179: ok 26208
179: ok 26209
179: ok 26210
179: ok 26211
179: ok 26212
179: ok 26213
179: ok 26214
179: ok 26215
179: ok 26216
179: ok 26217
179: ok 26218
179: ok 26219
179: ok 26220
179: ok 26221
179: ok 26222
179: ok 26223
179: ok 26224
179: ok 26225
179: ok 26226
179: ok 26227
179: ok 26228
179: ok 26229
179: ok 26230
179: ok 26231
179: ok 26232
179: ok 26233
179: ok 26234
179: ok 26235
179: ok 26236
179: ok 26237
179: ok 26238
179: ok 26239
179: ok 26240
179: ok 26241
179: ok 26242
179: ok 26243
179: ok 26244
179: ok 26245
179: ok 26246
179: ok 26247
179: ok 26248
179: ok 26249
179: ok 26250
179: ok 26251
179: ok 26252
179: ok 26253
179: ok 26254
179: ok 26255
179: ok 26256
179: ok 26257
179: ok 26258
179: ok 26259
179: ok 26260
179: ok 26261
179: ok 26262
179: ok 26263
179: ok 26264
179: ok 26265
179: ok 26266
179: ok 26267
179: ok 26268
179: ok 26269
179: ok 26270
179: ok 26271
179: ok 26272
179: ok 26273
179: ok 26274
179: ok 26275
179: ok 26276
179: ok 26277
179: ok 26278
179: ok 26279
179: ok 26280
179: ok 26281
179: ok 26282
179: ok 26283
179: ok 26284
179: ok 26285
179: ok 26286
179: ok 26287
179: ok 26288
179: ok 26289
179: ok 26290
179: ok 26291
179: ok 26292
179: ok 26293
179: ok 26294
179: ok 26295
179: ok 26296
179: ok 26297
179: ok 26298
179: ok 26299
179: ok 26300
179: ok 26301
179: ok 26302
179: ok 26303
179: ok 26304
179: ok 26305
179: ok 26306
179: ok 26307
179: ok 26308
179: ok 26309
179: ok 26310
179: ok 26311
179: ok 26312
179: ok 26313
179: ok 26314
179: ok 26315
179: ok 26316
179: ok 26317
179: ok 26318
179: ok 26319
179: ok 26320
179: ok 26321
179: ok 26322
179: ok 26323
179: ok 26324
179: ok 26325
179: ok 26326
179: ok 26327
179: ok 26328
179: ok 26329
179: ok 26330
179: ok 26331
179: ok 26332
179: ok 26333
179: ok 26334
179: ok 26335
179: ok 26336
179: ok 26337
179: ok 26338
179: ok 26339
179: ok 26340
179: ok 26341
179: ok 26342
179: ok 26343
179: ok 26344
179: ok 26345
179: ok 26346
179: ok 26347
179: ok 26348
179: ok 26349
179: ok 26350
179: ok 26351
179: ok 26352
179: ok 26353
179: ok 26354
179: ok 26355
179: ok 26356
179: ok 26357
179: ok 26358
179: ok 26359
179: ok 26360
179: ok 26361
179: ok 26362
179: ok 26363
179: ok 26364
179: ok 26365
179: ok 26366
179: ok 26367
179: ok 26368
179: ok 26369
179: ok 26370
179: ok 26371
179: ok 26372
179: ok 26373
179: ok 26374
179: ok 26375
179: ok 26376
179: ok 26377
179: ok 26378
179: ok 26379
179: ok 26380
179: ok 26381
179: ok 26382
179: ok 26383
179: ok 26384
179: ok 26385
179: ok 26386
179: ok 26387
179: ok 26388
179: ok 26389
179: ok 26390
179: ok 26391
179: ok 26392
179: ok 26393
179: ok 26394
179: ok 26395
179: ok 26396
179: ok 26397
179: ok 26398
179: ok 26399
179: ok 26400
179: ok 26401
179: ok 26402
179: ok 26403
179: ok 26404
179: ok 26405
179: ok 26406
179: ok 26407
179: ok 26408
179: ok 26409
179: ok 26410
179: ok 26411
179: ok 26412
179: ok 26413
179: ok 26414
179: ok 26415
179: ok 26416
179: ok 26417
179: ok 26418
179: ok 26419
179: ok 26420
179: ok 26421
179: ok 26422
179: ok 26423
179: ok 26424
179: ok 26425
179: ok 26426
179: ok 26427
179: ok 26428
179: ok 26429
179: ok 26430
179: ok 26431
179: ok 26432
179: ok 26433
179: ok 26434
179: ok 26435
179: ok 26436
179: ok 26437
179: ok 26438
179: ok 26439
179: ok 26440
179: ok 26441
179: ok 26442
179: ok 26443
179: ok 26444
179: ok 26445
179: ok 26446
179: ok 26447
179: ok 26448
179: ok 26449
179: ok 26450
179: ok 26451
179: ok 26452
179: ok 26453
179: ok 26454
179: ok 26455
179: ok 26456
179: ok 26457
179: ok 26458
179: ok 26459
179: ok 26460
179: ok 26461
179: ok 26462
179: ok 26463
179: ok 26464
179: ok 26465
179: ok 26466
179: ok 26467
179: ok 26468
179: ok 26469
179: ok 26470
179: ok 26471
179: ok 26472
179: ok 26473
179: ok 26474
179: ok 26475
179: ok 26476
179: ok 26477
179: ok 26478
179: ok 26479
179: ok 26480
179: ok 26481
179: ok 26482
179: ok 26483
179: ok 26484
179: ok 26485
179: ok 26486
179: ok 26487
179: ok 26488
179: ok 26489
179: ok 26490
179: ok 26491
179: ok 26492
179: ok 26493
179: ok 26494
179: ok 26495
179: ok 26496
179: ok 26497
179: ok 26498
179: ok 26499
179: ok 26500
179: ok 26501
179: ok 26502
179: ok 26503
179: ok 26504
179: ok 26505
179: ok 26506
179: ok 26507
179: ok 26508
179: ok 26509
179: ok 26510
179: ok 26511
179: ok 26512
179: ok 26513
179: ok 26514
179: ok 26515
179: ok 26516
179: ok 26517
179: ok 26518
179: ok 26519
179: ok 26520
179: ok 26521
179: ok 26522
179: ok 26523
179: ok 26524
179: ok 26525
179: ok 26526
179: ok 26527
179: ok 26528
179: ok 26529
179: ok 26530
179: ok 26531
179: ok 26532
179: ok 26533
179: ok 26534
179: ok 26535
179: ok 26536
179: ok 26537
179: ok 26538
179: ok 26539
179: ok 26540
179: ok 26541
179: ok 26542
179: ok 26543
179: ok 26544
179: ok 26545
179: ok 26546
179: ok 26547
179: ok 26548
179: ok 26549
179: ok 26550
179: ok 26551
179: ok 26552
179: ok 26553
179: ok 26554
179: ok 26555
179: ok 26556
179: ok 26557
179: ok 26558
179: ok 26559
179: ok 26560
179: ok 26561
179: ok 26562
179: ok 26563
179: ok 26564
179: ok 26565
179: ok 26566
179: ok 26567
179: ok 26568
179: ok 26569
179: ok 26570
179: ok 26571
179: ok 26572
179: ok 26573
179: ok 26574
179: ok 26575
179: ok 26576
179: ok 26577
179: ok 26578
179: ok 26579
179: ok 26580
179: ok 26581
179: ok 26582
179: ok 26583
179: ok 26584
179: ok 26585
179: ok 26586
179: ok 26587
179: ok 26588
179: ok 26589
179: ok 26590
179: ok 26591
179: ok 26592
179: ok 26593
179: ok 26594
179: ok 26595
179: ok 26596
179: ok 26597
179: ok 26598
179: ok 26599
179: ok 26600
179: ok 26601
179: ok 26602
179: ok 26603
179: ok 26604
179: ok 26605
179: ok 26606
179: ok 26607
179: ok 26608
179: ok 26609
179: ok 26610
179: ok 26611
179: ok 26612
179: ok 26613
179: ok 26614
179: ok 26615
179: ok 26616
179: ok 26617
179: ok 26618
179: ok 26619
179: ok 26620
179: ok 26621
179: ok 26622
179: ok 26623
179: ok 26624
179: ok 26625
179: ok 26626
179: ok 26627
179: ok 26628
179: ok 26629
179: ok 26630
179: ok 26631
179: ok 26632
179: ok 26633
179: ok 26634
179: ok 26635
179: ok 26636
179: ok 26637
179: ok 26638
179: ok 26639
179: ok 26640
179: ok 26641
179: ok 26642
179: ok 26643
179: ok 26644
179: ok 26645
179: ok 26646
179: ok 26647
179: ok 26648
179: ok 26649
179: ok 26650
179: ok 26651
179: ok 26652
179: ok 26653
179: ok 26654
179: ok 26655
179: ok 26656
179: ok 26657
179: ok 26658
179: ok 26659
179: ok 26660
179: ok 26661
179: ok 26662
179: ok 26663
179: ok 26664
179: ok 26665
179: ok 26666
179: ok 26667
179: ok 26668
179: ok 26669
179: ok 26670
179: ok 26671
179: ok 26672
179: ok 26673
179: ok 26674
179: ok 26675
179: ok 26676
179: ok 26677
179: ok 26678
179: ok 26679
179: ok 26680
179: ok 26681
179: ok 26682
179: ok 26683
179: ok 26684
179: ok 26685
179: ok 26686
179: ok 26687
179: ok 26688
179: ok 26689
179: ok 26690
179: ok 26691
179: ok 26692
179: ok 26693
179: ok 26694
179: ok 26695
179: ok 26696
179: ok 26697
179: ok 26698
179: ok 26699
179: ok 26700
179: ok 26701
179: ok 26702
179: ok 26703
179: ok 26704
179: ok 26705
179: ok 26706
179: ok 26707
179: ok 26708
179: ok 26709
179: ok 26710
179: ok 26711
179: ok 26712
179: ok 26713
179: ok 26714
179: ok 26715
179: ok 26716
179: ok 26717
179: ok 26718
179: ok 26719
179: ok 26720
179: ok 26721
179: ok 26722
179: ok 26723
179: ok 26724
179: ok 26725
179: ok 26726
179: ok 26727
179: ok 26728
179: ok 26729
179: ok 26730
179: ok 26731
179: ok 26732
179: ok 26733
179: ok 26734
179: ok 26735
179: ok 26736
179: ok 26737
179: ok 26738
179: ok 26739
179: ok 26740
179: ok 26741
179: ok 26742
179: ok 26743
179: ok 26744
179: ok 26745
179: ok 26746
179: ok 26747
179: ok 26748
179: ok 26749
179: ok 26750
179: ok 26751
179: ok 26752
179: ok 26753
179: ok 26754
179: ok 26755
179: ok 26756
179: ok 26757
179: ok 26758
179: ok 26759
179: ok 26760
179: ok 26761
179: ok 26762
179: ok 26763
179: ok 26764
179: ok 26765
179: ok 26766
179: ok 26767
179: ok 26768
179: ok 26769
179: ok 26770
179: ok 26771
179: ok 26772
179: ok 26773
179: ok 26774
179: ok 26775
179: ok 26776
179: ok 26777
179: ok 26778
179: ok 26779
179: ok 26780
179: ok 26781
179: ok 26782
179: ok 26783
179: ok 26784
179: ok 26785
179: ok 26786
179: ok 26787
179: ok 26788
179: ok 26789
179: ok 26790
179: ok 26791
179: ok 26792
179: ok 26793
179: ok 26794
179: ok 26795
179: ok 26796
179: ok 26797
179: ok 26798
179: ok 26799
179: ok 26800
179: ok 26801
179: ok 26802
179: ok 26803
179: ok 26804
179: ok 26805
179: ok 26806
179: ok 26807
179: ok 26808
179: ok 26809
179: ok 26810
179: ok 26811
179: ok 26812
179: ok 26813
179: ok 26814
179: ok 26815
179: ok 26816
179: ok 26817
179: ok 26818
179: ok 26819
179: ok 26820
179: ok 26821
179: ok 26822
179: ok 26823
179: ok 26824
179: ok 26825
179: ok 26826
179: ok 26827
179: ok 26828
179: ok 26829
179: ok 26830
179: ok 26831
179: ok 26832
179: ok 26833
179: ok 26834
179: ok 26835
179: ok 26836
179: ok 26837
179: ok 26838
179: ok 26839
179: ok 26840
179: ok 26841
179: ok 26842
179: ok 26843
179: ok 26844
179: ok 26845
179: ok 26846
179: ok 26847
179: ok 26848
179: ok 26849
179: ok 26850
179: ok 26851
179: ok 26852
179: ok 26853
179: ok 26854
179: ok 26855
179: ok 26856
179: ok 26857
179: ok 26858
179: ok 26859
179: ok 26860
179: ok 26861
179: ok 26862
179: ok 26863
179: ok 26864
179: ok 26865
179: ok 26866
179: ok 26867
179: ok 26868
179: ok 26869
179: ok 26870
179: ok 26871
179: ok 26872
179: ok 26873
179: ok 26874
179: ok 26875
179: ok 26876
179: ok 26877
179: ok 26878
179: ok 26879
179: ok 26880
179: ok 26881
179: ok 26882
179: ok 26883
179: ok 26884
179: ok 26885
179: ok 26886
179: ok 26887
179: ok 26888
179: ok 26889
179: ok 26890
179: ok 26891
179: ok 26892
179: ok 26893
179: ok 26894
179: ok 26895
179: ok 26896
179: ok 26897
179: ok 26898
179: ok 26899
179: ok 26900
179: ok 26901
179: ok 26902
179: ok 26903
179: ok 26904
179: ok 26905
179: ok 26906
179: ok 26907
179: ok 26908
179: ok 26909
179: ok 26910
179: ok 26911
179: ok 26912
179: ok 26913
179: ok 26914
179: ok 26915
179: ok 26916
179: ok 26917
179: ok 26918
179: ok 26919
179: ok 26920
179: ok 26921
179: ok 26922
179: ok 26923
179: ok 26924
179: ok 26925
179: ok 26926
179: ok 26927
179: ok 26928
179: ok 26929
179: ok 26930
179: ok 26931
179: ok 26932
179: ok 26933
179: ok 26934
179: ok 26935
179: ok 26936
179: ok 26937
179: ok 26938
179: ok 26939
179: ok 26940
179: ok 26941
179: ok 26942
179: ok 26943
179: ok 26944
179: ok 26945
179: ok 26946
179: ok 26947
179: ok 26948
179: ok 26949
179: ok 26950
179: ok 26951
179: ok 26952
179: ok 26953
179: ok 26954
179: ok 26955
179: ok 26956
179: ok 26957
179: ok 26958
179: ok 26959
179: ok 26960
179: ok 26961
179: ok 26962
179: ok 26963
179: ok 26964
179: ok 26965
179: ok 26966
179: ok 26967
179: ok 26968
179: ok 26969
179: ok 26970
179: ok 26971
179: ok 26972
179: ok 26973
179: ok 26974
179: ok 26975
179: ok 26976
179: ok 26977
179: ok 26978
179: ok 26979
179: ok 26980
179: ok 26981
179: ok 26982
179: ok 26983
179: ok 26984
179: ok 26985
179: ok 26986
179: ok 26987
179: ok 26988
179: ok 26989
179: ok 26990
179: ok 26991
179: ok 26992
179: ok 26993
179: ok 26994
179: ok 26995
179: ok 26996
179: ok 26997
179: ok 26998
179: ok 26999
179: ok 27000
179: ok 27001
179: ok 27002
179: ok 27003
179: ok 27004
179: ok 27005
179: ok 27006
179: ok 27007
179: ok 27008
179: ok 27009
179: ok 27010
179: ok 27011
179: ok 27012
179: ok 27013
179: ok 27014
179: ok 27015
179: ok 27016
179: ok 27017
179: ok 27018
179: ok 27019
179: ok 27020
179: ok 27021
179: ok 27022
179: ok 27023
179: ok 27024
179: ok 27025
179: ok 27026
179: ok 27027
179: ok 27028
179: ok 27029
179: ok 27030
179: ok 27031
179: ok 27032
179: ok 27033
179: ok 27034
179: ok 27035
179: ok 27036
179: ok 27037
179: ok 27038
179: ok 27039
179: ok 27040
179: ok 27041
179: ok 27042
179: ok 27043
179: ok 27044
179: ok 27045
179: ok 27046
179: ok 27047
179: ok 27048
179: ok 27049
179: ok 27050
179: ok 27051
179: ok 27052
179: ok 27053
179: ok 27054
179: ok 27055
179: ok 27056
179: ok 27057
179: ok 27058
179: ok 27059
179: ok 27060
179: ok 27061
179: ok 27062
179: ok 27063
179: ok 27064
179: ok 27065
179: ok 27066
179: ok 27067
179: ok 27068
179: ok 27069
179: ok 27070
179: ok 27071
179: ok 27072
179: ok 27073
179: ok 27074
179: ok 27075
179: ok 27076
179: ok 27077
179: ok 27078
179: ok 27079
179: ok 27080
179: ok 27081
179: ok 27082
179: ok 27083
179: ok 27084
179: ok 27085
179: ok 27086
179: ok 27087
179: ok 27088
179: ok 27089
179: ok 27090
179: ok 27091
179: ok 27092
179: ok 27093
179: ok 27094
179: ok 27095
179: ok 27096
179: ok 27097
179: ok 27098
179: ok 27099
179: ok 27100
179: ok 27101
179: ok 27102
179: ok 27103
179: ok 27104
179: ok 27105
179: ok 27106
179: ok 27107
179: ok 27108
179: ok 27109
179: ok 27110
179: ok 27111
179: ok 27112
179: ok 27113
179: ok 27114
179: ok 27115
179: ok 27116
179: ok 27117
179: ok 27118
179: ok 27119
179: ok 27120
179: ok 27121
179: ok 27122
179: ok 27123
179: ok 27124
179: ok 27125
179: ok 27126
179: ok 27127
179: ok 27128
179: ok 27129
179: ok 27130
179: ok 27131
179: ok 27132
179: ok 27133
179: ok 27134
179: ok 27135
179: ok 27136
179: ok 27137
179: ok 27138
179: ok 27139
179: ok 27140
179: ok 27141
179: ok 27142
179: ok 27143
179: ok 27144
179: ok 27145
179: ok 27146
179: ok 27147
179: ok 27148
179: ok 27149
179: ok 27150
179: ok 27151
179: ok 27152
179: ok 27153
179: ok 27154
179: ok 27155
179: ok 27156
179: ok 27157
179: ok 27158
179: ok 27159
179: ok 27160
179: ok 27161
179: ok 27162
179: ok 27163
179: ok 27164
179: ok 27165
179: ok 27166
179: ok 27167
179: ok 27168
179: ok 27169
179: ok 27170
179: ok 27171
179: ok 27172
179: ok 27173
179: ok 27174
179: ok 27175
179: ok 27176
179: ok 27177
179: ok 27178
179: ok 27179
179: ok 27180
179: ok 27181
179: ok 27182
179: ok 27183
179: ok 27184
179: ok 27185
179: ok 27186
179: ok 27187
179: ok 27188
179: ok 27189
179: ok 27190
179: ok 27191
179: ok 27192
179: ok 27193
179: ok 27194
179: ok 27195
179: ok 27196
179: ok 27197
179: ok 27198
179: ok 27199
179: ok 27200
179: ok 27201
179: ok 27202
179: ok 27203
179: ok 27204
179: ok 27205
179: ok 27206
179: ok 27207
179: ok 27208
179: ok 27209
179: ok 27210
179: ok 27211
179: ok 27212
179: ok 27213
179: ok 27214
179: ok 27215
179: ok 27216
179: ok 27217
179: ok 27218
179: ok 27219
179: ok 27220
179: ok 27221
179: ok 27222
179: ok 27223
179: ok 27224
179: ok 27225
179: ok 27226
179: ok 27227
179: ok 27228
179: ok 27229
179: ok 27230
179: ok 27231
179: ok 27232
179: ok 27233
179: ok 27234
179: ok 27235
179: ok 27236
179: ok 27237
179: ok 27238
179: ok 27239
179: ok 27240
179: ok 27241
179: ok 27242
179: ok 27243
179: ok 27244
179: ok 27245
179: ok 27246
179: ok 27247
179: ok 27248
179: ok 27249
179: ok 27250
179: ok 27251
179: ok 27252
179: ok 27253
179: ok 27254
179: ok 27255
179: ok 27256
179: ok 27257
179: ok 27258
179: ok 27259
179: ok 27260
179: ok 27261
179: ok 27262
179: ok 27263
179: ok 27264
179: ok 27265
179: ok 27266
179: ok 27267
179: ok 27268
179: ok 27269
179: ok 27270
179: ok 27271
179: ok 27272
179: ok 27273
179: ok 27274
179: ok 27275
179: ok 27276
179: ok 27277
179: ok 27278
179: ok 27279
179: ok 27280
179: ok 27281
179: ok 27282
179: ok 27283
179: ok 27284
179: ok 27285
179: ok 27286
179: ok 27287
179: ok 27288
179: ok 27289
179: ok 27290
179: ok 27291
179: ok 27292
179: ok 27293
179: ok 27294
179: ok 27295
179: ok 27296
179: ok 27297
179: ok 27298
179: ok 27299
179: ok 27300
179: ok 27301
179: ok 27302
179: ok 27303
179: ok 27304
179: ok 27305
179: ok 27306
179: ok 27307
179: ok 27308
179: ok 27309
179: ok 27310
179: ok 27311
179: ok 27312
179: ok 27313
179: ok 27314
179: ok 27315
179: ok 27316
179: ok 27317
179: ok 27318
179: ok 27319
179: ok 27320
179: ok 27321
179: ok 27322
179: ok 27323
179: ok 27324
179: ok 27325
179: ok 27326
179: ok 27327
179: ok 27328
179: ok 27329
179: ok 27330
179: ok 27331
179: ok 27332
179: ok 27333
179: ok 27334
179: ok 27335
179: ok 27336
179: ok 27337
179: ok 27338
179: ok 27339
179: ok 27340
179: ok 27341
179: ok 27342
179: ok 27343
179: ok 27344
179: ok 27345
179: ok 27346
179: ok 27347
179: ok 27348
179: ok 27349
179: ok 27350
179: ok 27351
179: ok 27352
179: ok 27353
179: ok 27354
179: ok 27355
179: ok 27356
179: ok 27357
179: ok 27358
179: ok 27359
179: ok 27360
179: ok 27361
179: ok 27362
179: ok 27363
179: ok 27364
179: ok 27365
179: ok 27366
179: ok 27367
179: ok 27368
179: ok 27369
179: ok 27370
179: ok 27371
179: ok 27372
179: ok 27373
179: ok 27374
179: ok 27375
179: ok 27376
179: ok 27377
179: ok 27378
179: ok 27379
179: ok 27380
179: ok 27381
179: ok 27382
179: ok 27383
179: ok 27384
179: ok 27385
179: ok 27386
179: ok 27387
179: ok 27388
179: ok 27389
179: ok 27390
179: ok 27391
179: ok 27392
179: ok 27393
179: ok 27394
179: ok 27395
179: ok 27396
179: ok 27397
179: ok 27398
179: ok 27399
179: ok 27400
179: ok 27401
179: ok 27402
179: ok 27403
179: ok 27404
179: ok 27405
179: ok 27406
179: ok 27407
179: ok 27408
179: ok 27409
179: ok 27410
179: ok 27411
179: ok 27412
179: ok 27413
179: ok 27414
179: ok 27415
179: ok 27416
179: ok 27417
179: ok 27418
179: ok 27419
179: ok 27420
179: ok 27421
179: ok 27422
179: ok 27423
179: ok 27424
179: ok 27425
179: ok 27426
179: ok 27427
179: ok 27428
179: ok 27429
179: ok 27430
179: ok 27431
179: ok 27432
179: ok 27433
179: ok 27434
179: ok 27435
179: ok 27436
179: ok 27437
179: ok 27438
179: ok 27439
179: ok 27440
179: ok 27441
179: ok 27442
179: ok 27443
179: ok 27444
179: ok 27445
179: ok 27446
179: ok 27447
179: ok 27448
179: ok 27449
179: ok 27450
179: ok 27451
179: ok 27452
179: ok 27453
179: ok 27454
179: ok 27455
179: ok 27456
179: ok 27457
179: ok 27458
179: ok 27459
179: ok 27460
179: ok 27461
179: ok 27462
179: ok 27463
179: ok 27464
179: ok 27465
179: ok 27466
179: ok 27467
179: ok 27468
179: ok 27469
179: ok 27470
179: ok 27471
179: ok 27472
179: ok 27473
179: ok 27474
179: ok 27475
179: ok 27476
179: ok 27477
179: ok 27478
179: ok 27479
179: ok 27480
179: ok 27481
179: ok 27482
179: ok 27483
179: ok 27484
179: ok 27485
179: ok 27486
179: ok 27487
179: ok 27488
179: ok 27489
179: ok 27490
179: ok 27491
179: ok 27492
179: ok 27493
179: ok 27494
179: ok 27495
179: ok 27496
179: ok 27497
179: ok 27498
179: ok 27499
179: ok 27500
179: ok 27501
179: ok 27502
179: ok 27503
179: ok 27504
179: ok 27505
179: ok 27506
179: ok 27507
179: ok 27508
179: ok 27509
179: ok 27510
179: ok 27511
179: ok 27512
179: ok 27513
179: ok 27514
179: ok 27515
179: ok 27516
179: ok 27517
179: ok 27518
179: ok 27519
179: ok 27520
179: ok 27521
179: ok 27522
179: ok 27523
179: ok 27524
179: ok 27525
179: ok 27526
179: ok 27527
179: ok 27528
179: ok 27529
179: ok 27530
179: ok 27531
179: ok 27532
179: ok 27533
179: ok 27534
179: ok 27535
179: ok 27536
179: ok 27537
179: ok 27538
179: ok 27539
179: ok 27540
179: ok 27541
179: ok 27542
179: ok 27543
179: ok 27544
179: ok 27545
179: ok 27546
179: ok 27547
179: ok 27548
179: ok 27549
179: ok 27550
179: ok 27551
179: ok 27552
179: ok 27553
179: ok 27554
179: ok 27555
179: ok 27556
179: ok 27557
179: ok 27558
179: ok 27559
179: ok 27560
179: ok 27561
179: ok 27562
179: ok 27563
179: ok 27564
179: ok 27565
179: ok 27566
179: ok 27567
179: ok 27568
179: ok 27569
179: ok 27570
179: ok 27571
179: ok 27572
179: ok 27573
179: ok 27574
179: ok 27575
179: ok 27576
179: ok 27577
179: ok 27578
179: ok 27579
179: ok 27580
179: ok 27581
179: ok 27582
179: ok 27583
179: ok 27584
179: ok 27585
179: ok 27586
179: ok 27587
179: ok 27588
179: ok 27589
179: ok 27590
179: ok 27591
179: ok 27592
179: ok 27593
179: ok 27594
179: ok 27595
179: ok 27596
179: ok 27597
179: ok 27598
179: ok 27599
179: ok 27600
179: ok 27601
179: ok 27602
179: ok 27603
179: ok 27604
179: ok 27605
179: ok 27606
179: ok 27607
179: ok 27608
179: ok 27609
179: ok 27610
179: ok 27611
179: ok 27612
179: ok 27613
179: ok 27614
179: ok 27615
179: ok 27616
179: ok 27617
179: ok 27618
179: ok 27619
179: ok 27620
179: ok 27621
179: ok 27622
179: ok 27623
179: ok 27624
179: ok 27625
179: ok 27626
179: ok 27627
179: ok 27628
179: ok 27629
179: ok 27630
179: ok 27631
179: ok 27632
179: ok 27633
179: ok 27634
179: ok 27635
179: ok 27636
179: ok 27637
179: ok 27638
179: ok 27639
179: ok 27640
179: ok 27641
179: ok 27642
179: ok 27643
179: ok 27644
179: ok 27645
179: ok 27646
179: ok 27647
179: ok 27648
179: ok 27649
179: ok 27650
179: ok 27651
179: ok 27652
179: ok 27653
179: ok 27654
179: ok 27655
179: ok 27656
179: ok 27657
179: ok 27658
179: ok 27659
179: ok 27660
179: ok 27661
179: ok 27662
179: ok 27663
179: ok 27664
179: ok 27665
179: ok 27666
179: ok 27667
179: ok 27668
179: ok 27669
179: ok 27670
179: ok 27671
179: ok 27672
179: ok 27673
179: ok 27674
179: ok 27675
179: ok 27676
179: ok 27677
179: ok 27678
179: ok 27679
179: ok 27680
179: ok 27681
179: ok 27682
179: ok 27683
179: ok 27684
179: ok 27685
179: ok 27686
179: ok 27687
179: ok 27688
179: ok 27689
179: ok 27690
179: ok 27691
179: ok 27692
179: ok 27693
179: ok 27694
179: ok 27695
179: ok 27696
179: ok 27697
179: ok 27698
179: ok 27699
179: ok 27700
179: ok 27701
179: ok 27702
179: ok 27703
179: ok 27704
179: ok 27705
179: ok 27706
179: ok 27707
179: ok 27708
179: ok 27709
179: ok 27710
179: ok 27711
179: ok 27712
179: ok 27713
179: ok 27714
179: ok 27715
179: ok 27716
179: ok 27717
179: ok 27718
179: ok 27719
179: ok 27720
179: ok 27721
179: ok 27722
179: ok 27723
179: ok 27724
179: ok 27725
179: ok 27726
179: ok 27727
179: ok 27728
179: ok 27729
179: ok 27730
179: ok 27731
179: ok 27732
179: ok 27733
179: ok 27734
179: ok 27735
179: ok 27736
179: ok 27737
179: ok 27738
179: ok 27739
179: ok 27740
179: ok 27741
179: ok 27742
179: ok 27743
179: ok 27744
179: ok 27745
179: ok 27746
179: ok 27747
179: ok 27748
179: ok 27749
179: ok 27750
179: ok 27751
179: ok 27752
179: ok 27753
179: ok 27754
179: ok 27755
179: ok 27756
179: ok 27757
179: ok 27758
179: ok 27759
179: ok 27760
179: ok 27761
179: ok 27762
179: ok 27763
179: ok 27764
179: ok 27765
179: ok 27766
179: ok 27767
179: ok 27768
179: ok 27769
179: ok 27770
179: ok 27771
179: ok 27772
179: ok 27773
179: ok 27774
179: ok 27775
179: ok 27776
179: ok 27777
179: ok 27778
179: ok 27779
179: ok 27780
179: ok 27781
179: ok 27782
179: ok 27783
179: ok 27784
179: ok 27785
179: ok 27786
179: ok 27787
179: ok 27788
179: ok 27789
179: ok 27790
179: ok 27791
179: ok 27792
179: ok 27793
179: ok 27794
179: ok 27795
179: ok 27796
179: ok 27797
179: ok 27798
179: ok 27799
179: ok 27800
179: ok 27801
179: ok 27802
179: ok 27803
179: ok 27804
179: ok 27805
179: ok 27806
179: ok 27807
179: ok 27808
179: ok 27809
179: ok 27810
179: ok 27811
179: ok 27812
179: ok 27813
179: ok 27814
179: ok 27815
179: ok 27816
179: ok 27817
179: ok 27818
179: ok 27819
179: ok 27820
179: ok 27821
179: ok 27822
179: ok 27823
179: ok 27824
179: ok 27825
179: ok 27826
179: ok 27827
179: ok 27828
179: ok 27829
179: ok 27830
179: ok 27831
179: ok 27832
179: ok 27833
179: ok 27834
179: ok 27835
179: ok 27836
179: ok 27837
179: ok 27838
179: ok 27839
179: ok 27840
179: ok 27841
179: ok 27842
179: ok 27843
179: ok 27844
179: ok 27845
179: ok 27846
179: ok 27847
179: ok 27848
179: ok 27849
179: ok 27850
179: ok 27851
179: ok 27852
179: ok 27853
179: ok 27854
179: ok 27855
179: ok 27856
179: ok 27857
179: ok 27858
179: ok 27859
179: ok 27860
179: ok 27861
179: ok 27862
179: ok 27863
179: ok 27864
179: ok 27865
179: ok 27866
179: ok 27867
179: ok 27868
179: ok 27869
179: ok 27870
179: ok 27871
179: ok 27872
179: ok 27873
179: ok 27874
179: ok 27875
179: ok 27876
179: ok 27877
179: ok 27878
179: ok 27879
179: ok 27880
179: ok 27881
179: ok 27882
179: ok 27883
179: ok 27884
179: ok 27885
179: ok 27886
179: ok 27887
179: ok 27888
179: ok 27889
179: ok 27890
179: ok 27891
179: ok 27892
179: ok 27893
179: ok 27894
179: ok 27895
179: ok 27896
179: ok 27897
179: ok 27898
179: ok 27899
179: ok 27900
179: ok 27901
179: ok 27902
179: ok 27903
179: ok 27904
179: ok 27905
179: ok 27906
179: ok 27907
179: ok 27908
179: ok 27909
179: ok 27910
179: ok 27911
179: ok 27912
179: ok 27913
179: ok 27914
179: ok 27915
179: ok 27916
179: ok 27917
179: ok 27918
179: ok 27919
179: ok 27920
179: ok 27921
179: ok 27922
179: ok 27923
179: ok 27924
179: ok 27925
179: ok 27926
179: ok 27927
179: ok 27928
179: ok 27929
179: ok 27930
179: ok 27931
179: ok 27932
179: ok 27933
179: ok 27934
179: ok 27935
179: ok 27936
179: ok 27937
179: ok 27938
179: ok 27939
179: ok 27940
179: ok 27941
179: ok 27942
179: ok 27943
179: ok 27944
179: ok 27945
179: ok 27946
179: ok 27947
179: ok 27948
179: ok 27949
179: ok 27950
179: ok 27951
179: ok 27952
179: ok 27953
179: ok 27954
179: ok 27955
179: ok 27956
179: ok 27957
179: ok 27958
179: ok 27959
179: ok 27960
179: ok 27961
179: ok 27962
179: ok 27963
179: ok 27964
179: ok 27965
179: ok 27966
179: ok 27967
179: ok 27968
179: ok 27969
179: ok 27970
179: ok 27971
179: ok 27972
179: ok 27973
179: ok 27974
179: ok 27975
179: ok 27976
179: ok 27977
179: ok 27978
179: ok 27979
179: ok 27980
179: ok 27981
179: ok 27982
179: ok 27983
179: ok 27984
179: ok 27985
179: ok 27986
179: ok 27987
179: ok 27988
179: ok 27989
179: ok 27990
179: ok 27991
179: ok 27992
179: ok 27993
179: ok 27994
179: ok 27995
179: ok 27996
179: ok 27997
179: ok 27998
179: ok 27999
179: ok 28000
179: ok 28001
179: ok 28002
179: ok 28003
179: ok 28004
179: ok 28005
179: ok 28006
179: ok 28007
179: ok 28008
179: ok 28009
179: ok 28010
179: ok 28011
179: ok 28012
179: ok 28013
179: ok 28014
179: ok 28015
179: ok 28016
179: ok 28017
179: ok 28018
179: ok 28019
179: ok 28020
179: ok 28021
179: ok 28022
179: ok 28023
179: ok 28024
179: ok 28025
179: ok 28026
179: ok 28027
179: ok 28028
179: ok 28029
179: ok 28030
179: ok 28031
179: ok 28032
179: ok 28033
179: ok 28034
179: ok 28035
179: ok 28036
179: ok 28037
179: ok 28038
179: ok 28039
179: ok 28040
179: ok 28041
179: ok 28042
179: ok 28043
179: ok 28044
179: ok 28045
179: ok 28046
179: ok 28047
179: ok 28048
179: ok 28049
179: ok 28050
179: ok 28051
179: ok 28052
179: ok 28053
179: ok 28054
179: ok 28055
179: ok 28056
179: ok 28057
179: ok 28058
179: ok 28059
179: ok 28060
179: ok 28061
179: ok 28062
179: ok 28063
179: ok 28064
179: ok 28065
179: ok 28066
179: ok 28067
179: ok 28068
179: ok 28069
179: ok 28070
179: ok 28071
179: ok 28072
179: ok 28073
179: ok 28074
179: ok 28075
179: ok 28076
179: ok 28077
179: ok 28078
179: ok 28079
179: ok 28080
179: ok 28081
179: ok 28082
179: ok 28083
179: ok 28084
179: ok 28085
179: ok 28086
179: ok 28087
179: ok 28088
179: ok 28089
179: ok 28090
179: ok 28091
179: ok 28092
179: ok 28093
179: ok 28094
179: ok 28095
179: ok 28096
179: ok 28097
179: ok 28098
179: ok 28099
179: ok 28100
179: ok 28101
179: ok 28102
179: ok 28103
179: ok 28104
179: ok 28105
179: ok 28106
179: ok 28107
179: ok 28108
179: ok 28109
179: ok 28110
179: ok 28111
179: ok 28112
179: ok 28113
179: ok 28114
179: ok 28115
179: ok 28116
179: ok 28117
179: ok 28118
179: ok 28119
179: ok 28120
179: ok 28121
179: ok 28122
179: ok 28123
179: ok 28124
179: ok 28125
179: ok 28126
179: ok 28127
179: ok 28128
179: ok 28129
179: ok 28130
179: ok 28131
179: ok 28132
179: ok 28133
179: ok 28134
179: ok 28135
179: ok 28136
179: ok 28137
179: ok 28138
179: ok 28139
179: ok 28140
179: ok 28141
179: ok 28142
179: ok 28143
179: ok 28144
179: ok 28145
179: ok 28146
179: ok 28147
179: ok 28148
179: ok 28149
179: ok 28150
179: ok 28151
179: ok 28152
179: ok 28153
179: ok 28154
179: ok 28155
179: ok 28156
179: ok 28157
179: ok 28158
179: ok 28159
179: ok 28160
179: ok 28161
179: ok 28162
179: ok 28163
179: ok 28164
179: ok 28165
179: ok 28166
179: ok 28167
179: ok 28168
179: ok 28169
179: ok 28170
179: ok 28171
179: ok 28172
179: ok 28173
179: ok 28174
179: ok 28175
179: ok 28176
179: ok 28177
179: ok 28178
179: ok 28179
179: ok 28180
179: ok 28181
179: ok 28182
179: ok 28183
179: ok 28184
179: ok 28185
179: ok 28186
179: ok 28187
179: ok 28188
179: ok 28189
179: ok 28190
179: ok 28191
179: ok 28192
179: ok 28193
179: ok 28194
179: ok 28195
179: ok 28196
179: ok 28197
179: ok 28198
179: ok 28199
179: ok 28200
179: ok 28201
179: ok 28202
179: ok 28203
179: ok 28204
179: ok 28205
179: ok 28206
179: ok 28207
179: ok 28208
179: ok 28209
179: ok 28210
179: ok 28211
179: ok 28212
179: ok 28213
179: ok 28214
179: ok 28215
179: ok 28216
179: ok 28217
179: ok 28218
179: ok 28219
179: ok 28220
179: ok 28221
179: ok 28222
179: ok 28223
179: ok 28224
179: ok 28225
179: ok 28226
179: ok 28227
179: ok 28228
179: ok 28229
179: ok 28230
179: ok 28231
179: ok 28232
179: ok 28233
179: ok 28234
179: ok 28235
179: ok 28236
179: ok 28237
179: ok 28238
179: ok 28239
179: ok 28240
179: ok 28241
179: ok 28242
179: ok 28243
179: ok 28244
179: ok 28245
179: ok 28246
179: ok 28247
179: ok 28248
179: ok 28249
179: ok 28250
179: ok 28251
179: ok 28252
179: ok 28253
179: ok 28254
179: ok 28255
179: ok 28256
179: ok 28257
179: ok 28258
179: ok 28259
179: ok 28260
179: ok 28261
179: ok 28262
179: ok 28263
179: ok 28264
179: ok 28265
179: ok 28266
179: ok 28267
179: ok 28268
179: ok 28269
179: ok 28270
179: ok 28271
179: ok 28272
179: ok 28273
179: ok 28274
179: ok 28275
179: ok 28276
179: ok 28277
179: ok 28278
179: ok 28279
179: ok 28280
179: ok 28281
179: ok 28282
179: ok 28283
179: ok 28284
179: ok 28285
179: ok 28286
179: ok 28287
179: ok 28288
179: ok 28289
179: ok 28290
179: ok 28291
179: ok 28292
179: ok 28293
179: ok 28294
179: ok 28295
179: ok 28296
179: ok 28297
179: ok 28298
179: ok 28299
179: ok 28300
179: ok 28301
179: ok 28302
179: ok 28303
179: ok 28304
179: ok 28305
179: ok 28306
179: ok 28307
179: ok 28308
179: ok 28309
179: ok 28310
179: ok 28311
179: ok 28312
179: ok 28313
179: ok 28314
179: ok 28315
179: ok 28316
179: ok 28317
179: ok 28318
179: ok 28319
179: ok 28320
179: ok 28321
179: ok 28322
179: ok 28323
179: ok 28324
179: ok 28325
179: ok 28326
179: ok 28327
179: ok 28328
179: ok 28329
179: ok 28330
179: ok 28331
179: ok 28332
179: ok 28333
179: ok 28334
179: ok 28335
179: ok 28336
179: ok 28337
179: ok 28338
179: ok 28339
179: ok 28340
179: ok 28341
179: ok 28342
179: ok 28343
179: ok 28344
179: ok 28345
179: ok 28346
179: ok 28347
179: ok 28348
179: ok 28349
179: ok 28350
179: ok 28351
179: ok 28352
179: ok 28353
179: ok 28354
179: ok 28355
179: ok 28356
179: ok 28357
179: ok 28358
179: ok 28359
179: ok 28360
179: ok 28361
179: ok 28362
179: ok 28363
179: ok 28364
179: ok 28365
179: ok 28366
179: ok 28367
179: ok 28368
179: ok 28369
179: ok 28370
179: ok 28371
179: ok 28372
179: ok 28373
179: ok 28374
179: ok 28375
179: ok 28376
179: ok 28377
179: ok 28378
179: ok 28379
179: ok 28380
179: ok 28381
179: ok 28382
179: ok 28383
179: ok 28384
179: ok 28385
179: ok 28386
179: ok 28387
179: ok 28388
179: ok 28389
179: ok 28390
179: ok 28391
179: ok 28392
179: ok 28393
179: ok 28394
179: ok 28395
179: ok 28396
179: ok 28397
179: ok 28398
179: ok 28399
179: ok 28400
179: ok 28401
179: ok 28402
179: ok 28403
179: ok 28404
179: ok 28405
179: ok 28406
179: ok 28407
179: ok 28408
179: ok 28409
179: ok 28410
179: ok 28411
179: ok 28412
179: ok 28413
179: ok 28414
179: ok 28415
179: ok 28416
179: ok 28417
179: ok 28418
179: ok 28419
179: ok 28420
179: ok 28421
179: ok 28422
179: ok 28423
179: ok 28424
179: ok 28425
179: ok 28426
179: ok 28427
179: ok 28428
179: ok 28429
179: ok 28430
179: ok 28431
179: ok 28432
179: ok 28433
179: ok 28434
179: ok 28435
179: ok 28436
179: ok 28437
179: ok 28438
179: ok 28439
179: ok 28440
179: ok 28441
179: ok 28442
179: ok 28443
179: ok 28444
179: ok 28445
179: ok 28446
179: ok 28447
179: ok 28448
179: ok 28449
179: ok 28450
179: ok 28451
179: ok 28452
179: ok 28453
179: ok 28454
179: ok 28455
179: ok 28456
179: ok 28457
179: ok 28458
179: ok 28459
179: ok 28460
179: ok 28461
179: ok 28462
179: ok 28463
179: ok 28464
179: ok 28465
179: ok 28466
179: ok 28467
179: ok 28468
179: ok 28469
179: ok 28470
179: ok 28471
179: ok 28472
179: ok 28473
179: ok 28474
179: ok 28475
179: ok 28476
179: ok 28477
179: ok 28478
179: ok 28479
179: ok 28480
179: ok 28481
179: ok 28482
179: ok 28483
179: ok 28484
179: ok 28485
179: ok 28486
179: ok 28487
179: ok 28488
179: ok 28489
179: ok 28490
179: ok 28491
179: ok 28492
179: ok 28493
179: ok 28494
179: ok 28495
179: ok 28496
179: ok 28497
179: ok 28498
179: ok 28499
179: ok 28500
179: ok 28501
179: ok 28502
179: ok 28503
179: ok 28504
179: ok 28505
179: ok 28506
179: ok 28507
179: ok 28508
179: ok 28509
179: ok 28510
179: ok 28511
179: ok 28512
179: ok 28513
179: ok 28514
179: ok 28515
179: ok 28516
179: ok 28517
179: ok 28518
179: ok 28519
179: ok 28520
179: ok 28521
179: ok 28522
179: ok 28523
179: ok 28524
179: ok 28525
179: ok 28526
179: ok 28527
179: ok 28528
179: ok 28529
179: ok 28530
179: ok 28531
179: ok 28532
179: ok 28533
179: ok 28534
179: ok 28535
179: ok 28536
179: ok 28537
179: ok 28538
179: ok 28539
179: ok 28540
179: ok 28541
179: ok 28542
179: ok 28543
179: ok 28544
179: ok 28545
179: ok 28546
179: ok 28547
179: ok 28548
179: ok 28549
179: ok 28550
179: ok 28551
179: ok 28552
179: ok 28553
179: ok 28554
179: ok 28555
179: ok 28556
179: ok 28557
179: ok 28558
179: ok 28559
179: ok 28560
179: ok 28561
179: ok 28562
179: ok 28563
179: ok 28564
179: ok 28565
179: ok 28566
179: ok 28567
179: ok 28568
179: ok 28569
179: ok 28570
179: ok 28571
179: ok 28572
179: ok 28573
179: ok 28574
179: ok 28575
179: ok 28576
179: ok 28577
179: ok 28578
179: ok 28579
179: ok 28580
179: ok 28581
179: ok 28582
179: ok 28583
179: ok 28584
179: ok 28585
179: ok 28586
179: ok 28587
179: ok 28588
179: ok 28589
179: ok 28590
179: ok 28591
179: ok 28592
179: ok 28593
179: ok 28594
179: ok 28595
179: ok 28596
179: ok 28597
179: ok 28598
179: ok 28599
179: ok 28600
179: ok 28601
179: ok 28602
179: ok 28603
179: ok 28604
179: ok 28605
179: ok 28606
179: ok 28607
179: ok 28608
179: ok 28609
179: ok 28610
179: ok 28611
179: ok 28612
179: ok 28613
179: ok 28614
179: ok 28615
179: ok 28616
179: ok 28617
179: ok 28618
179: ok 28619
179: ok 28620
179: ok 28621
179: ok 28622
179: ok 28623
179: ok 28624
179: ok 28625
179: ok 28626
179: ok 28627
179: ok 28628
179: ok 28629
179: ok 28630
179: ok 28631
179: ok 28632
179: ok 28633
179: ok 28634
179: ok 28635
179: ok 28636
179: ok 28637
179: ok 28638
179: ok 28639
179: ok 28640
179: ok 28641
179: ok 28642
179: ok 28643
179: ok 28644
179: ok 28645
179: ok 28646
179: ok 28647
179: ok 28648
179: ok 28649
179: ok 28650
179: ok 28651
179: ok 28652
179: ok 28653
179: ok 28654
179: ok 28655
179: ok 28656
179: ok 28657
179: ok 28658
179: ok 28659
179: ok 28660
179: ok 28661
179: ok 28662
179: ok 28663
179: ok 28664
179: ok 28665
179: ok 28666
179: ok 28667
179: ok 28668
179: ok 28669
179: ok 28670
179: ok 28671
179: ok 28672
179: ok 28673
179: ok 28674
179: ok 28675
179: ok 28676
179: ok 28677
179: ok 28678
179: ok 28679
179: ok 28680
179: ok 28681
179: ok 28682
179: ok 28683
179: ok 28684
179: ok 28685
179: ok 28686
179: ok 28687
179: ok 28688
179: ok 28689
179: ok 28690
179: ok 28691
179: ok 28692
179: ok 28693
179: ok 28694
179: ok 28695
179: ok 28696
179: ok 28697
179: ok 28698
179: ok 28699
179: ok 28700
179: ok 28701
179: ok 28702
179: ok 28703
179: ok 28704
179: ok 28705
179: ok 28706
179: ok 28707
179: ok 28708
179: ok 28709
179: ok 28710
179: ok 28711
179: ok 28712
179: ok 28713
179: ok 28714
179: ok 28715
179: ok 28716
179: ok 28717
179: ok 28718
179: ok 28719
179: ok 28720
179: ok 28721
179: ok 28722
179: ok 28723
179: ok 28724
179: ok 28725
179: ok 28726
179: ok 28727
179: ok 28728
179: ok 28729
179: ok 28730
179: ok 28731
179: ok 28732
179: ok 28733
179: ok 28734
179: ok 28735
179: ok 28736
179: ok 28737
179: ok 28738
179: ok 28739
179: ok 28740
179: ok 28741
179: ok 28742
179: ok 28743
179: ok 28744
179: ok 28745
179: ok 28746
179: ok 28747
179: ok 28748
179: ok 28749
179: ok 28750
179: ok 28751
179: ok 28752
179: ok 28753
179: ok 28754
179: ok 28755
179: ok 28756
179: ok 28757
179: ok 28758
179: ok 28759
179: ok 28760
179: ok 28761
179: ok 28762
179: ok 28763
179: ok 28764
179: ok 28765
179: ok 28766
179: ok 28767
179: ok 28768
179: ok 28769
179: ok 28770
179: ok 28771
179: ok 28772
179: ok 28773
179: ok 28774
179: ok 28775
179: ok 28776
179: ok 28777
179: ok 28778
179: ok 28779
179: ok 28780
179: ok 28781
179: ok 28782
179: ok 28783
179: ok 28784
179: ok 28785
179: ok 28786
179: ok 28787
179: ok 28788
179: ok 28789
179: ok 28790
179: ok 28791
179: ok 28792
179: ok 28793
179: ok 28794
179: ok 28795
179: ok 28796
179: ok 28797
179: ok 28798
179: ok 28799
179: ok 28800
179: ok 28801
179: ok 28802
179: ok 28803
179: ok 28804
179: ok 28805
179: ok 28806
179: ok 28807
179: ok 28808
179: ok 28809
179: ok 28810
179: ok 28811
179: ok 28812
179: ok 28813
179: ok 28814
179: ok 28815
179: ok 28816
179: ok 28817
179: ok 28818
179: ok 28819
179: ok 28820
179: ok 28821
179: ok 28822
179: ok 28823
179: ok 28824
179: ok 28825
179: ok 28826
179: ok 28827
179: ok 28828
179: ok 28829
179: ok 28830
179: ok 28831
179: ok 28832
179: ok 28833
179: ok 28834
179: ok 28835
179: ok 28836
179: ok 28837
179: ok 28838
179: ok 28839
179: ok 28840
179: ok 28841
179: ok 28842
179: ok 28843
179: ok 28844
179: ok 28845
179: ok 28846
179: ok 28847
179: ok 28848
179: ok 28849
179: ok 28850
179: ok 28851
179: ok 28852
179: ok 28853
179: ok 28854
179: ok 28855
179: ok 28856
179: ok 28857
179: ok 28858
179: ok 28859
179: ok 28860
179: ok 28861
179: ok 28862
179: ok 28863
179: ok 28864
179: ok 28865
179: ok 28866
179: ok 28867
179: ok 28868
179: ok 28869
179: ok 28870
179: ok 28871
179: ok 28872
179: ok 28873
179: ok 28874
179: ok 28875
179: ok 28876
179: ok 28877
179: ok 28878
179: ok 28879
179: ok 28880
179: ok 28881
179: ok 28882
179: ok 28883
179: ok 28884
179: ok 28885
179: ok 28886
179: ok 28887
179: ok 28888
179: ok 28889
179: ok 28890
179: ok 28891
179: ok 28892
179: ok 28893
179: ok 28894
179: ok 28895
179: ok 28896
179: ok 28897
179: ok 28898
179: ok 28899
179: ok 28900
179: ok 28901
179: ok 28902
179: ok 28903
179: ok 28904
179: ok 28905
179: ok 28906
179: ok 28907
179: ok 28908
179: ok 28909
179: ok 28910
179: ok 28911
179: ok 28912
179: ok 28913
179: ok 28914
179: ok 28915
179: ok 28916
179: ok 28917
179: ok 28918
179: ok 28919
179: ok 28920
179: ok 28921
179: ok 28922
179: ok 28923
179: ok 28924
179: ok 28925
179: ok 28926
179: ok 28927
179: ok 28928
179: ok 28929
179: ok 28930
179: ok 28931
179: ok 28932
179: ok 28933
179: ok 28934
179: ok 28935
179: ok 28936
179: ok 28937
179: ok 28938
179: ok 28939
179: ok 28940
179: ok 28941
179: ok 28942
179: ok 28943
179: ok 28944
179: ok 28945
179: ok 28946
179: ok 28947
179: ok 28948
179: ok 28949
179: ok 28950
179: ok 28951
179: ok 28952
179: ok 28953
179: ok 28954
179: ok 28955
179: ok 28956
179: ok 28957
179: ok 28958
179: ok 28959
179: ok 28960
179: ok 28961
179: ok 28962
179: ok 28963
179: ok 28964
179: ok 28965
179: ok 28966
179: ok 28967
179: ok 28968
179: ok 28969
179: ok 28970
179: ok 28971
179: ok 28972
179: ok 28973
179: ok 28974
179: ok 28975
179: ok 28976
179: ok 28977
179: ok 28978
179: ok 28979
179: ok 28980
179: ok 28981
179: ok 28982
179: ok 28983
179: ok 28984
179: ok 28985
179: ok 28986
179: ok 28987
179: ok 28988
179: ok 28989
179: ok 28990
179: ok 28991
179: ok 28992
179: ok 28993
179: ok 28994
179: ok 28995
179: ok 28996
179: ok 28997
179: ok 28998
179: ok 28999
179: ok 29000
179: ok 29001
179: ok 29002
179: ok 29003
179: ok 29004
179: ok 29005
179: ok 29006
179: ok 29007
179: ok 29008
179: ok 29009
179: ok 29010
179: ok 29011
179: ok 29012
179: ok 29013
179: ok 29014
179: ok 29015
179: ok 29016
179: ok 29017
179: ok 29018
179: ok 29019
179: ok 29020
179: ok 29021
179: ok 29022
179: ok 29023
179: ok 29024
179: ok 29025
179: ok 29026
179: ok 29027
179: ok 29028
179: ok 29029
179: ok 29030
179: ok 29031
179: ok 29032
179: ok 29033
179: ok 29034
179: ok 29035
179: ok 29036
179: ok 29037
179: ok 29038
179: ok 29039
179: ok 29040
179: ok 29041
179: ok 29042
179: ok 29043
179: ok 29044
179: ok 29045
179: ok 29046
179: ok 29047
179: ok 29048
179: ok 29049
179: ok 29050
179: ok 29051
179: ok 29052
179: ok 29053
179: ok 29054
179: ok 29055
179: ok 29056
179: ok 29057
179: ok 29058
179: ok 29059
179: ok 29060
179: ok 29061
179: ok 29062
179: ok 29063
179: ok 29064
179: ok 29065
179: ok 29066
179: ok 29067
179: ok 29068
179: ok 29069
179: ok 29070
179: ok 29071
179: ok 29072
179: ok 29073
179: ok 29074
179: ok 29075
179: ok 29076
179: ok 29077
179: ok 29078
179: ok 29079
179: ok 29080
179: ok 29081
179: ok 29082
179: ok 29083
179: ok 29084
179: ok 29085
179: ok 29086
179: ok 29087
179: ok 29088
179: ok 29089
179: ok 29090
179: ok 29091
179: ok 29092
179: ok 29093
179: ok 29094
179: ok 29095
179: ok 29096
179: ok 29097
179: ok 29098
179: ok 29099
179: ok 29100
179: ok 29101
179: ok 29102
179: ok 29103
179: ok 29104
179: ok 29105
179: ok 29106
179: ok 29107
179: ok 29108
179: ok 29109
179: ok 29110
179: ok 29111
179: ok 29112
179: ok 29113
179: ok 29114
179: ok 29115
179: ok 29116
179: ok 29117
179: ok 29118
179: ok 29119
179: ok 29120
179: ok 29121
179: ok 29122
179: ok 29123
179: ok 29124
179: ok 29125
179: ok 29126
179: ok 29127
179: ok 29128
179: ok 29129
179: ok 29130
179: ok 29131
179: ok 29132
179: ok 29133
179: ok 29134
179: ok 29135
179: ok 29136
179: ok 29137
179: ok 29138
179: ok 29139
179: ok 29140
179: ok 29141
179: ok 29142
179: ok 29143
179: ok 29144
179: ok 29145
179: ok 29146
179: ok 29147
179: ok 29148
179: ok 29149
179: ok 29150
179: ok 29151
179: ok 29152
179: ok 29153
179: ok 29154
179: ok 29155
179: ok 29156
179: ok 29157
179: ok 29158
179: ok 29159
179: ok 29160
179: ok 29161
179: ok 29162
179: ok 29163
179: ok 29164
179: ok 29165
179: ok 29166
179: ok 29167
179: ok 29168
179: ok 29169
179: ok 29170
179: ok 29171
179: ok 29172
179: ok 29173
179: ok 29174
179: ok 29175
179: ok 29176
179: ok 29177
179: ok 29178
179: ok 29179
179: ok 29180
179: ok 29181
179: ok 29182
179: ok 29183
179: ok 29184
179: ok 29185
179: ok 29186
179: ok 29187
179: ok 29188
179: ok 29189
179: ok 29190
179: ok 29191
179: ok 29192
179: ok 29193
179: ok 29194
179: ok 29195
179: ok 29196
179: ok 29197
179: ok 29198
179: ok 29199
179: ok 29200
179: ok 29201
179: ok 29202
179: ok 29203
179: ok 29204
179: ok 29205
179: ok 29206
179: ok 29207
179: ok 29208
179: ok 29209
179: ok 29210
179: ok 29211
179: ok 29212
179: ok 29213
179: ok 29214
179: ok 29215
179: ok 29216
179: ok 29217
179: ok 29218
179: ok 29219
179: ok 29220
179: ok 29221
179: ok 29222
179: ok 29223
179: ok 29224
179: ok 29225
179: ok 29226
179: ok 29227
179: ok 29228
179: ok 29229
179: ok 29230
179: ok 29231
179: ok 29232
179: ok 29233
179: ok 29234
179: ok 29235
179: ok 29236
179: ok 29237
179: ok 29238
179: ok 29239
179: ok 29240
179: ok 29241
179: ok 29242
179: ok 29243
179: ok 29244
179: ok 29245
179: ok 29246
179: ok 29247
179: ok 29248
179: ok 29249
179: ok 29250
179: ok 29251
179: ok 29252
179: ok 29253
179: ok 29254
179: ok 29255
179: ok 29256
179: ok 29257
179: ok 29258
179: ok 29259
179: ok 29260
179: ok 29261
179: ok 29262
179: ok 29263
179: ok 29264
179: ok 29265
179: ok 29266
179: ok 29267
179: ok 29268
179: ok 29269
179: ok 29270
179: ok 29271
179: ok 29272
179: ok 29273
179: ok 29274
179: ok 29275
179: ok 29276
179: ok 29277
179: ok 29278
179: ok 29279
179: ok 29280
179: ok 29281
179: ok 29282
179: ok 29283
179: ok 29284
179: ok 29285
179: ok 29286
179: ok 29287
179: ok 29288
179: ok 29289
179: ok 29290
179: ok 29291
179: ok 29292
179: ok 29293
179: ok 29294
179: ok 29295
179: ok 29296
179: ok 29297
179: ok 29298
179: ok 29299
179: ok 29300
179: ok 29301
179: ok 29302
179: ok 29303
179: ok 29304
179: ok 29305
179: ok 29306
179: ok 29307
179: ok 29308
179: ok 29309
179: ok 29310
179: ok 29311
179: ok 29312
179: ok 29313
179: ok 29314
179: ok 29315
179: ok 29316
179: ok 29317
179: ok 29318
179: ok 29319
179: ok 29320
179: ok 29321
179: ok 29322
179: ok 29323
179: ok 29324
179: ok 29325
179: ok 29326
179: ok 29327
179: ok 29328
179: ok 29329
179: ok 29330
179: ok 29331
179: ok 29332
179: ok 29333
179: ok 29334
179: ok 29335
179: ok 29336
179: ok 29337
179: ok 29338
179: ok 29339
179: ok 29340
179: ok 29341
179: ok 29342
179: ok 29343
179: ok 29344
179: ok 29345
179: ok 29346
179: ok 29347
179: ok 29348
179: ok 29349
179: ok 29350
179: ok 29351
179: ok 29352
179: ok 29353
179: ok 29354
179: ok 29355
179: ok 29356
179: ok 29357
179: ok 29358
179: ok 29359
179: ok 29360
179: ok 29361
179: ok 29362
179: ok 29363
179: ok 29364
179: ok 29365
179: ok 29366
179: ok 29367
179: ok 29368
179: ok 29369
179: ok 29370
179: ok 29371
179: ok 29372
179: ok 29373
179: ok 29374
179: ok 29375
179: ok 29376
179: ok 29377
179: ok 29378
179: ok 29379
179: ok 29380
179: ok 29381
179: ok 29382
179: ok 29383
179: ok 29384
179: ok 29385
179: ok 29386
179: ok 29387
179: ok 29388
179: ok 29389
179: ok 29390
179: ok 29391
179: ok 29392
179: ok 29393
179: ok 29394
179: ok 29395
179: ok 29396
179: ok 29397
179: ok 29398
179: ok 29399
179: ok 29400
179: ok 29401
179: ok 29402
179: ok 29403
179: ok 29404
179: ok 29405
179: ok 29406
179: ok 29407
179: ok 29408
179: ok 29409
179: ok 29410
179: ok 29411
179: ok 29412
179: ok 29413
179: ok 29414
179: ok 29415
179: ok 29416
179: ok 29417
179: ok 29418
179: ok 29419
179: ok 29420
179: ok 29421
179: ok 29422
179: ok 29423
179: ok 29424
179: ok 29425
179: ok 29426
179: ok 29427
179: ok 29428
179: ok 29429
179: ok 29430
179: ok 29431
179: ok 29432
179: ok 29433
179: ok 29434
179: ok 29435
179: ok 29436
179: ok 29437
179: ok 29438
179: ok 29439
179: ok 29440
179: ok 29441
179: ok 29442
179: ok 29443
179: ok 29444
179: ok 29445
179: ok 29446
179: ok 29447
179: ok 29448
179: ok 29449
179: ok 29450
179: ok 29451
179: ok 29452
179: ok 29453
179: ok 29454
179: ok 29455
179: ok 29456
179: ok 29457
179: ok 29458
179: ok 29459
179: ok 29460
179: ok 29461
179: ok 29462
179: ok 29463
179: ok 29464
179: ok 29465
179: ok 29466
179: ok 29467
179: ok 29468
179: ok 29469
179: ok 29470
179: ok 29471
179: ok 29472
179: ok 29473
179: ok 29474
179: ok 29475
179: ok 29476
179: ok 29477
179: ok 29478
179: ok 29479
179: ok 29480
179: ok 29481
179: ok 29482
179: ok 29483
179: ok 29484
179: ok 29485
179: ok 29486
179: ok 29487
179: ok 29488
179: ok 29489
179: ok 29490
179: ok 29491
179: ok 29492
179: ok 29493
179: ok 29494
179: ok 29495
179: ok 29496
179: ok 29497
179: ok 29498
179: ok 29499
179: ok 29500
179: ok 29501
179: ok 29502
179: ok 29503
179: ok 29504
179: ok 29505
179: ok 29506
179: ok 29507
179: ok 29508
179: ok 29509
179: ok 29510
179: ok 29511
179: ok 29512
179: ok 29513
179: ok 29514
179: ok 29515
179: ok 29516
179: ok 29517
179: ok 29518
179: ok 29519
179: ok 29520
179: ok 29521
179: ok 29522
179: ok 29523
179: ok 29524
179: ok 29525
179: ok 29526
179: ok 29527
179: ok 29528
179: ok 29529
179: ok 29530
179: ok 29531
179: ok 29532
179: ok 29533
179: ok 29534
179: ok 29535
179: ok 29536
179: ok 29537
179: ok 29538
179: ok 29539
179: ok 29540
179: ok 29541
179: ok 29542
179: ok 29543
179: ok 29544
179: ok 29545
179: ok 29546
179: ok 29547
179: ok 29548
179: ok 29549
179: ok 29550
179: ok 29551
179: ok 29552
179: ok 29553
179: ok 29554
179: ok 29555
179: ok 29556
179: ok 29557
179: ok 29558
179: ok 29559
179: ok 29560
179: ok 29561
179: ok 29562
179: ok 29563
179: ok 29564
179: ok 29565
179: ok 29566
179: ok 29567
179: ok 29568
179: ok 29569
179: ok 29570
179: ok 29571
179: ok 29572
179: ok 29573
179: ok 29574
179: ok 29575
179: ok 29576
179: ok 29577
179: ok 29578
179: ok 29579
179: ok 29580
179: ok 29581
179: ok 29582
179: ok 29583
179: ok 29584
179: ok 29585
179: ok 29586
179: ok 29587
179: ok 29588
179: ok 29589
179: ok 29590
179: ok 29591
179: ok 29592
179: ok 29593
179: ok 29594
179: ok 29595
179: ok 29596
179: ok 29597
179: ok 29598
179: ok 29599
179: ok 29600
179: ok 29601
179: ok 29602
179: ok 29603
179: ok 29604
179: ok 29605
179: ok 29606
179: ok 29607
179: ok 29608
179: ok 29609
179: ok 29610
179: ok 29611
179: ok 29612
179: ok 29613
179: ok 29614
179: ok 29615
179: ok 29616
179: ok 29617
179: ok 29618
179: ok 29619
179: ok 29620
179: ok 29621
179: ok 29622
179: ok 29623
179: ok 29624
179: ok 29625
179: ok 29626
179: ok 29627
179: ok 29628
179: ok 29629
179: ok 29630
179: ok 29631
179: ok 29632
179: ok 29633
179: ok 29634
179: ok 29635
179: ok 29636
179: ok 29637
179: ok 29638
179: ok 29639
179: ok 29640
179: ok 29641
179: ok 29642
179: ok 29643
179: ok 29644
179: ok 29645
179: ok 29646
179: ok 29647
179: ok 29648
179: ok 29649
179: ok 29650
179: ok 29651
179: ok 29652
179: ok 29653
179: ok 29654
179: ok 29655
179: ok 29656
179: ok 29657
179: ok 29658
179: ok 29659
179: ok 29660
179: ok 29661
179: ok 29662
179: ok 29663
179: ok 29664
179: ok 29665
179: ok 29666
179: ok 29667
179: ok 29668
179: ok 29669
179: ok 29670
179: ok 29671
179: ok 29672
179: ok 29673
179: ok 29674
179: ok 29675
179: ok 29676
179: ok 29677
179: ok 29678
179: ok 29679
179: ok 29680
179: ok 29681
179: ok 29682
179: ok 29683
179: ok 29684
179: ok 29685
179: ok 29686
179: ok 29687
179: ok 29688
179: ok 29689
179: ok 29690
179: ok 29691
179: ok 29692
179: ok 29693
179: ok 29694
179: ok 29695
179: ok 29696
179: ok 29697
179: ok 29698
179: ok 29699
179: ok 29700
179: ok 29701
179: ok 29702
179: ok 29703
179: ok 29704
179: ok 29705
179: ok 29706
179: ok 29707
179: ok 29708
179: ok 29709
179: ok 29710
179: ok 29711
179: ok 29712
179: ok 29713
179: ok 29714
179: ok 29715
179: ok 29716
179: ok 29717
179: ok 29718
179: ok 29719
179: ok 29720
179: ok 29721
179: ok 29722
179: ok 29723
179: ok 29724
179: ok 29725
179: ok 29726
179: ok 29727
179: ok 29728
179: ok 29729
179: ok 29730
179: ok 29731
179: ok 29732
179: ok 29733
179: ok 29734
179: ok 29735
179: ok 29736
179: ok 29737
179: ok 29738
179: ok 29739
179: ok 29740
179: ok 29741
179: ok 29742
179: ok 29743
179: ok 29744
179: ok 29745
179: ok 29746
179: ok 29747
179: ok 29748
179: ok 29749
179: ok 29750
179: ok 29751
179: ok 29752
179: ok 29753
179: ok 29754
179: ok 29755
179: ok 29756
179: ok 29757
179: ok 29758
179: ok 29759
179: ok 29760
179: ok 29761
179: ok 29762
179: ok 29763
179: ok 29764
179: ok 29765
179: ok 29766
179: ok 29767
179: ok 29768
179: ok 29769
179: ok 29770
179: ok 29771
179: ok 29772
179: ok 29773
179: ok 29774
179: ok 29775
179: ok 29776
179: ok 29777
179: ok 29778
179: ok 29779
179: ok 29780
179: ok 29781
179: ok 29782
179: ok 29783
179: ok 29784
179: ok 29785
179: ok 29786
179: ok 29787
179: ok 29788
179: ok 29789
179: ok 29790
179: ok 29791
179: ok 29792
179: ok 29793
179: ok 29794
179: ok 29795
179: ok 29796
179: ok 29797
179: ok 29798
179: ok 29799
179: ok 29800
179: ok 29801
179: ok 29802
179: ok 29803
179: ok 29804
179: ok 29805
179: ok 29806
179: ok 29807
179: ok 29808
179: ok 29809
179: ok 29810
179: ok 29811
179: ok 29812
179: ok 29813
179: ok 29814
179: ok 29815
179: ok 29816
179: ok 29817
179: ok 29818
179: ok 29819
179: ok 29820
179: ok 29821
179: ok 29822
179: ok 29823
179: ok 29824
179: ok 29825
179: ok 29826
179: ok 29827
179: ok 29828
179: ok 29829
179: ok 29830
179: ok 29831
179: ok 29832
179: ok 29833
179: ok 29834
179: ok 29835
179: ok 29836
179: ok 29837
179: ok 29838
179: ok 29839
179: ok 29840
179: ok 29841
179: ok 29842
179: ok 29843
179: ok 29844
179: ok 29845
179: ok 29846
179: ok 29847
179: ok 29848
179: ok 29849
179: ok 29850
179: ok 29851
179: ok 29852
179: ok 29853
179: ok 29854
179: ok 29855
179: ok 29856
179: ok 29857
179: ok 29858
179: ok 29859
179: ok 29860
179: ok 29861
179: ok 29862
179: ok 29863
179: ok 29864
179: ok 29865
179: ok 29866
179: ok 29867
179: ok 29868
179: ok 29869
179: ok 29870
179: ok 29871
179: ok 29872
179: ok 29873
179: ok 29874
179: ok 29875
179: ok 29876
179: ok 29877
179: ok 29878
179: ok 29879
179: ok 29880
179: ok 29881
179: ok 29882
179: ok 29883
179: ok 29884
179: ok 29885
179: ok 29886
179: ok 29887
179: ok 29888
179: ok 29889
179: ok 29890
179: ok 29891
179: ok 29892
179: ok 29893
179: ok 29894
179: ok 29895
179: ok 29896
179: ok 29897
179: ok 29898
179: ok 29899
179: ok 29900
179: ok 29901
179: ok 29902
179: ok 29903
179: ok 29904
179: ok 29905
179: ok 29906
179: ok 29907
179: ok 29908
179: ok 29909
179: ok 29910
179: ok 29911
179: ok 29912
179: ok 29913
179: ok 29914
179: ok 29915
179: ok 29916
179: ok 29917
179: ok 29918
179: ok 29919
179: ok 29920
179: ok 29921
179: ok 29922
179: ok 29923
179: ok 29924
179: ok 29925
179: ok 29926
179: ok 29927
179: ok 29928
179: ok 29929
179: ok 29930
179: ok 29931
179: ok 29932
179: ok 29933
179: ok 29934
179: ok 29935
179: ok 29936
179: ok 29937
179: ok 29938
179: ok 29939
179: ok 29940
179: ok 29941
179: ok 29942
179: ok 29943
179: ok 29944
179: ok 29945
179: ok 29946
179: ok 29947
179: ok 29948
179: ok 29949
179: ok 29950
179: ok 29951
179: ok 29952
179: ok 29953
179: ok 29954
179: ok 29955
179: ok 29956
179: ok 29957
179: ok 29958
179: ok 29959
179: ok 29960
179: ok 29961
179: ok 29962
179: ok 29963
179: ok 29964
179: ok 29965
179: ok 29966
179: ok 29967
179: ok 29968
179: ok 29969
179: ok 29970
179: ok 29971
179: ok 29972
179: ok 29973
179: ok 29974
179: ok 29975
179: ok 29976
179: ok 29977
179: ok 29978
179: ok 29979
179: ok 29980
179: ok 29981
179: ok 29982
179: ok 29983
179: ok 29984
179: ok 29985
179: ok 29986
179: ok 29987
179: ok 29988
179: ok 29989
179: ok 29990
179: ok 29991
179: ok 29992
179: ok 29993
179: ok 29994
179: ok 29995
179: ok 29996
179: ok 29997
179: ok 29998
179: ok 29999
179: ok 30000
179: ok 30001
179: ok 30002
179: ok 30003
179: ok 30004
179: ok 30005
179: ok 30006
179: ok 30007
179: ok 30008
179: ok 30009
179: ok 30010
179: ok 30011
179: ok 30012
179: ok 30013
179: ok 30014
179: ok 30015
179: ok 30016
179: ok 30017
179: ok 30018
179: ok 30019
179: ok 30020
179: ok 30021
179: ok 30022
179: ok 30023
179: ok 30024
179: ok 30025
179: ok 30026
179: ok 30027
179: ok 30028
179: ok 30029
179: ok 30030
179: ok 30031
179: ok 30032
179: ok 30033
179: ok 30034
179: ok 30035
179: ok 30036
179: ok 30037
179: ok 30038
179: ok 30039
179: ok 30040
179: ok 30041
179: ok 30042
179: ok 30043
179: ok 30044
179: ok 30045
179: ok 30046
179: ok 30047
179: ok 30048
179: ok 30049
179: ok 30050
179: ok 30051
179: ok 30052
179: ok 30053
179: ok 30054
179: ok 30055
179: ok 30056
179: ok 30057
179: ok 30058
179: ok 30059
179: ok 30060
179: ok 30061
179: ok 30062
179: ok 30063
179: ok 30064
179: ok 30065
179: ok 30066
179: ok 30067
179: ok 30068
179: ok 30069
179: ok 30070
179: ok 30071
179: ok 30072
179: ok 30073
179: ok 30074
179: ok 30075
179: ok 30076
179: ok 30077
179: ok 30078
179: ok 30079
179: ok 30080
179: ok 30081
179: ok 30082
179: ok 30083
179: ok 30084
179: ok 30085
179: ok 30086
179: ok 30087
179: ok 30088
179: ok 30089
179: ok 30090
179: ok 30091
179: ok 30092
179: ok 30093
179: ok 30094
179: ok 30095
179: ok 30096
179: ok 30097
179: ok 30098
179: ok 30099
179: ok 30100
179: ok 30101
179: ok 30102
179: ok 30103
179: ok 30104
179: ok 30105
179: ok 30106
179: ok 30107
179: ok 30108
179: ok 30109
179: ok 30110
179: ok 30111
179: ok 30112
179: ok 30113
179: ok 30114
179: ok 30115
179: ok 30116
179: ok 30117
179: ok 30118
179: ok 30119
179: ok 30120
179: ok 30121
179: ok 30122
179: ok 30123
179: ok 30124
179: ok 30125
179: ok 30126
179: ok 30127
179: ok 30128
179: ok 30129
179: ok 30130
179: ok 30131
179: ok 30132
179: ok 30133
179: ok 30134
179: ok 30135
179: ok 30136
179: ok 30137
179: ok 30138
179: ok 30139
179: ok 30140
179: ok 30141
179: ok 30142
179: ok 30143
179: ok 30144
179: ok 30145
179: ok 30146
179: ok 30147
179: ok 30148
179: ok 30149
179: ok 30150
179: ok 30151
179: ok 30152
179: ok 30153
179: ok 30154
179: ok 30155
179: ok 30156
179: ok 30157
179: ok 30158
179: ok 30159
179: ok 30160
179: ok 30161
179: ok 30162
179: ok 30163
179: ok 30164
179: ok 30165
179: ok 30166
179: ok 30167
179: ok 30168
179: ok 30169
179: ok 30170
179: ok 30171
179: ok 30172
179: ok 30173
179: ok 30174
179: ok 30175
179: ok 30176
179: ok 30177
179: ok 30178
179: ok 30179
179: ok 30180
179: ok 30181
179: ok 30182
179: ok 30183
179: ok 30184
179: ok 30185
179: ok 30186
179: ok 30187
179: ok 30188
179: ok 30189
179: ok 30190
179: ok 30191
179: ok 30192
179: ok 30193
179: ok 30194
179: ok 30195
179: ok 30196
179: ok 30197
179: ok 30198
179: ok 30199
179: ok 30200
179: ok 30201
179: ok 30202
179: ok 30203
179: ok 30204
179: ok 30205
179: ok 30206
179: ok 30207
179: ok 30208
179: ok 30209
179: ok 30210
179: ok 30211
179: ok 30212
179: ok 30213
179: ok 30214
179: ok 30215
179: ok 30216
179: ok 30217
179: ok 30218
179: ok 30219
179: ok 30220
179: ok 30221
179: ok 30222
179: ok 30223
179: ok 30224
179: ok 30225
179: ok 30226
179: ok 30227
179: ok 30228
179: ok 30229
179: ok 30230
179: ok 30231
179: ok 30232
179: ok 30233
179: ok 30234
179: ok 30235
179: ok 30236
179: ok 30237
179: ok 30238
179: ok 30239
179: ok 30240
179: ok 30241
179: ok 30242
179: ok 30243
179: ok 30244
179: ok 30245
179: ok 30246
179: ok 30247
179: ok 30248
179: ok 30249
179: ok 30250
179: ok 30251
179: ok 30252
179: ok 30253
179: ok 30254
179: ok 30255
179: ok 30256
179: ok 30257
179: ok 30258
179: ok 30259
179: ok 30260
179: ok 30261
179: ok 30262
179: ok 30263
179: ok 30264
179: ok 30265
179: ok 30266
179: ok 30267
179: ok 30268
179: ok 30269
179: ok 30270
179: ok 30271
179: ok 30272
179: ok 30273
179: ok 30274
179: ok 30275
179: ok 30276
179: ok 30277
179: ok 30278
179: ok 30279
179: ok 30280
179: ok 30281
179: ok 30282
179: ok 30283
179: ok 30284
179: ok 30285
179: ok 30286
179: ok 30287
179: ok 30288
179: ok 30289
179: ok 30290
179: ok 30291
179: ok 30292
179: ok 30293
179: ok 30294
179: ok 30295
179: ok 30296
179: ok 30297
179: ok 30298
179: ok 30299
179: ok 30300
179: ok 30301
179: ok 30302
179: ok 30303
179: ok 30304
179: ok 30305
179: ok 30306
179: ok 30307
179: ok 30308
179: ok 30309
179: ok 30310
179: ok 30311
179: ok 30312
179: ok 30313
179: ok 30314
179: ok 30315
179: ok 30316
179: ok 30317
179: ok 30318
179: ok 30319
179: ok 30320
179: ok 30321
179: ok 30322
179: ok 30323
179: ok 30324
179: ok 30325
179: ok 30326
179: ok 30327
179: ok 30328
179: ok 30329
179: ok 30330
179: ok 30331
179: ok 30332
179: ok 30333
179: ok 30334
179: ok 30335
179: ok 30336
179: ok 30337
179: ok 30338
179: ok 30339
179: ok 30340
179: ok 30341
179: ok 30342
179: ok 30343
179: ok 30344
179: ok 30345
179: ok 30346
179: ok 30347
179: ok 30348
179: ok 30349
179: ok 30350
179: ok 30351
179: ok 30352
179: ok 30353
179: ok 30354
179: ok 30355
179: ok 30356
179: ok 30357
179: ok 30358
179: ok 30359
179: ok 30360
179: ok 30361
179: ok 30362
179: ok 30363
179: ok 30364
179: ok 30365
179: ok 30366
179: ok 30367
179: ok 30368
179: ok 30369
179: ok 30370
179: ok 30371
179: ok 30372
179: ok 30373
179: ok 30374
179: ok 30375
179: ok 30376
179: ok 30377
179: ok 30378
179: ok 30379
179: ok 30380
179: ok 30381
179: ok 30382
179: ok 30383
179: ok 30384
179: ok 30385
179: ok 30386
179: ok 30387
179: ok 30388
179: ok 30389
179: ok 30390
179: ok 30391
179: ok 30392
179: ok 30393
179: ok 30394
179: ok 30395
179: ok 30396
179: ok 30397
179: ok 30398
179: ok 30399
179: ok 30400
179: ok 30401
179: ok 30402
179: ok 30403
179: ok 30404
179: ok 30405
179: ok 30406
179: ok 30407
179: ok 30408
179: ok 30409
179: ok 30410
179: ok 30411
179: ok 30412
179: ok 30413
179: ok 30414
179: ok 30415
179: ok 30416
179: ok 30417
179: ok 30418
179: ok 30419
179: ok 30420
179: ok 30421
179: ok 30422
179: ok 30423
179: ok 30424
179: ok 30425
179: ok 30426
179: ok 30427
179: ok 30428
179: ok 30429
179: ok 30430
179: ok 30431
179: ok 30432
179: ok 30433
179: ok 30434
179: ok 30435
179: ok 30436
179: ok 30437
179: ok 30438
179: ok 30439
179: ok 30440
179: ok 30441
179: ok 30442
179: ok 30443
179: ok 30444
179: ok 30445
179: ok 30446
179: ok 30447
179: ok 30448
179: ok 30449
179: ok 30450
179: ok 30451
179: ok 30452
179: ok 30453
179: ok 30454
179: ok 30455
179: ok 30456
179: ok 30457
179: ok 30458
179: ok 30459
179: ok 30460
179: ok 30461
179: ok 30462
179: ok 30463
179: ok 30464
179: ok 30465
179: ok 30466
179: ok 30467
179: ok 30468
179: ok 30469
179: ok 30470
179: ok 30471
179: ok 30472
179: ok 30473
179: ok 30474
179: ok 30475
179: ok 30476
179: ok 30477
179: ok 30478
179: ok 30479
179: ok 30480
179: ok 30481
179: ok 30482
179: ok 30483
179: ok 30484
179: ok 30485
179: ok 30486
179: ok 30487
179: ok 30488
179: ok 30489
179: ok 30490
179: ok 30491
179: ok 30492
179: ok 30493
179: ok 30494
179: ok 30495
179: ok 30496
179: ok 30497
179: ok 30498
179: ok 30499
179: ok 30500
179: ok 30501
179: ok 30502
179: ok 30503
179: ok 30504
179: ok 30505
179: ok 30506
179: ok 30507
179: ok 30508
179: ok 30509
179: ok 30510
179: ok 30511
179: ok 30512
179: ok 30513
179: ok 30514
179: ok 30515
179: ok 30516
179: ok 30517
179: ok 30518
179: ok 30519
179: ok 30520
179: ok 30521
179: ok 30522
179: ok 30523
179: ok 30524
179: ok 30525
179: ok 30526
179: ok 30527
179: ok 30528
179: ok 30529
179: ok 30530
179: ok 30531
179: ok 30532
179: ok 30533
179: ok 30534
179: ok 30535
179: ok 30536
179: ok 30537
179: ok 30538
179: ok 30539
179: ok 30540
179: ok 30541
179: ok 30542
179: ok 30543
179: ok 30544
179: ok 30545
179: ok 30546
179: ok 30547
179: ok 30548
179: ok 30549
179: ok 30550
179: ok 30551
179: ok 30552
179: ok 30553
179: ok 30554
179: ok 30555
179: ok 30556
179: ok 30557
179: ok 30558
179: ok 30559
179: ok 30560
179: ok 30561
179: ok 30562
179: ok 30563
179: ok 30564
179: ok 30565
179: ok 30566
179: ok 30567
179: ok 30568
179: ok 30569
179: ok 30570
179: ok 30571
179: ok 30572
179: ok 30573
179: ok 30574
179: ok 30575
179: ok 30576
179: ok 30577
179: ok 30578
179: ok 30579
179: ok 30580
179: ok 30581
179: ok 30582
179: ok 30583
179: ok 30584
179: ok 30585
179: ok 30586
179: ok 30587
179: ok 30588
179: ok 30589
179: ok 30590
179: ok 30591
179: ok 30592
179: ok 30593
179: ok 30594
179: ok 30595
179: ok 30596
179: ok 30597
179: ok 30598
179: ok 30599
179: ok 30600
179: ok 30601
179: ok 30602
179: ok 30603
179: ok 30604
179: ok 30605
179: ok 30606
179: ok 30607
179: ok 30608
179: ok 30609
179: ok 30610
179: ok 30611
179: ok 30612
179: ok 30613
179: ok 30614
179: ok 30615
179: ok 30616
179: ok 30617
179: ok 30618
179: ok 30619
179: ok 30620
179: ok 30621
179: ok 30622
179: ok 30623
179: ok 30624
179: ok 30625
179: ok 30626
179: ok 30627
179: ok 30628
179: ok 30629
179: ok 30630
179: ok 30631
179: ok 30632
179: ok 30633
179: ok 30634
179: ok 30635
179: ok 30636
179: ok 30637
179: ok 30638
179: ok 30639
179: ok 30640
179: ok 30641
179: ok 30642
179: ok 30643
179: ok 30644
179: ok 30645
179: ok 30646
179: ok 30647
179: ok 30648
179: ok 30649
179: ok 30650
179: ok 30651
179: ok 30652
179: ok 30653
179: ok 30654
179: ok 30655
179: ok 30656
179: ok 30657
179: ok 30658
179: ok 30659
179: ok 30660
179: ok 30661
179: ok 30662
179: ok 30663
179: ok 30664
179: ok 30665
179: ok 30666
179: ok 30667
179: ok 30668
179: ok 30669
179: ok 30670
179: ok 30671
179: ok 30672
179: ok 30673
179: ok 30674
179: ok 30675
179: ok 30676
179: ok 30677
179: ok 30678
179: ok 30679
179: ok 30680
179: ok 30681
179: ok 30682
179: ok 30683
179: ok 30684
179: ok 30685
179: ok 30686
179: ok 30687
179: ok 30688
179: ok 30689
179: ok 30690
179: ok 30691
179: ok 30692
179: ok 30693
179: ok 30694
179: ok 30695
179: ok 30696
179: ok 30697
179: ok 30698
179: ok 30699
179: ok 30700
179: ok 30701
179: ok 30702
179: ok 30703
179: ok 30704
179: ok 30705
179: ok 30706
179: ok 30707
179: ok 30708
179: ok 30709
179: ok 30710
179: ok 30711
179: ok 30712
179: ok 30713
179: ok 30714
179: ok 30715
179: ok 30716
179: ok 30717
179: ok 30718
179: ok 30719
179: ok 30720
179: ok 30721
179: ok 30722
179: ok 30723
179: ok 30724
179: ok 30725
179: ok 30726
179: ok 30727
179: ok 30728
179: ok 30729
179: ok 30730
179: ok 30731
179: ok 30732
179: ok 30733
179: ok 30734
179: ok 30735
179: ok 30736
179: ok 30737
179: ok 30738
179: ok 30739
179: ok 30740
179: ok 30741
179: ok 30742
179: ok 30743
179: ok 30744
179: ok 30745
179: ok 30746
179: ok 30747
179: ok 30748
179: ok 30749
179: ok 30750
179: ok 30751
179: ok 30752
179: ok 30753
179: ok 30754
179: ok 30755
179: ok 30756
179: ok 30757
179: ok 30758
179: ok 30759
179: ok 30760
179: ok 30761
179: ok 30762
179: ok 30763
179: ok 30764
179: ok 30765
179: ok 30766
179: ok 30767
179: ok 30768
179: ok 30769
179: ok 30770
179: ok 30771
179: ok 30772
179: ok 30773
179: ok 30774
179: ok 30775
179: ok 30776
179: ok 30777
179: ok 30778
179: ok 30779
179: ok 30780
179: ok 30781
179: ok 30782
179: ok 30783
179: ok 30784
179: ok 30785
179: ok 30786
179: ok 30787
179: ok 30788
179: ok 30789
179: ok 30790
179: ok 30791
179: ok 30792
179: ok 30793
179: ok 30794
179: ok 30795
179: ok 30796
179: ok 30797
179: ok 30798
179: ok 30799
179: ok 30800
179: ok 30801
179: ok 30802
179: ok 30803
179: ok 30804
179: ok 30805
179: ok 30806
179: ok 30807
179: ok 30808
179: ok 30809
179: ok 30810
179: ok 30811
179: ok 30812
179: ok 30813
179: ok 30814
179: ok 30815
179: ok 30816
179: ok 30817
179: ok 30818
179: ok 30819
179: ok 30820
179: ok 30821
179: ok 30822
179: ok 30823
179: ok 30824
179: ok 30825
179: ok 30826
179: ok 30827
179: ok 30828
179: ok 30829
179: ok 30830
179: ok 30831
179: ok 30832
179: ok 30833
179: ok 30834
179: ok 30835
179: ok 30836
179: ok 30837
179: ok 30838
179: ok 30839
179: ok 30840
179: ok 30841
179: ok 30842
179: ok 30843
179: ok 30844
179: ok 30845
179: ok 30846
179: ok 30847
179: ok 30848
179: ok 30849
179: ok 30850
179: ok 30851
179: ok 30852
179: ok 30853
179: ok 30854
179: ok 30855
179: ok 30856
179: ok 30857
179: ok 30858
179: ok 30859
179: ok 30860
179: ok 30861
179: ok 30862
179: ok 30863
179: ok 30864
179: ok 30865
179: ok 30866
179: ok 30867
179: ok 30868
179: ok 30869
179: ok 30870
179: ok 30871
179: ok 30872
179: ok 30873
179: ok 30874
179: ok 30875
179: ok 30876
179: ok 30877
179: ok 30878
179: ok 30879
179: ok 30880
179: ok 30881
179: ok 30882
179: ok 30883
179: ok 30884
179: ok 30885
179: ok 30886
179: ok 30887
179: ok 30888
179: ok 30889
179: ok 30890
179: ok 30891
179: ok 30892
179: ok 30893
179: ok 30894
179: ok 30895
179: ok 30896
179: ok 30897
179: ok 30898
179: ok 30899
179: ok 30900
179: ok 30901
179: ok 30902
179: ok 30903
179: ok 30904
179: ok 30905
179: ok 30906
179: ok 30907
179: ok 30908
179: ok 30909
179: ok 30910
179: ok 30911
179: ok 30912
179: ok 30913
179: ok 30914
179: ok 30915
179: ok 30916
179: ok 30917
179: ok 30918
179: ok 30919
179: ok 30920
179: ok 30921
179: ok 30922
179: ok 30923
179: ok 30924
179: ok 30925
179: ok 30926
179: ok 30927
179: ok 30928
179: ok 30929
179: ok 30930
179: ok 30931
179: ok 30932
179: ok 30933
179: ok 30934
179: ok 30935
179: ok 30936
179: ok 30937
179: ok 30938
179: ok 30939
179: ok 30940
179: ok 30941
179: ok 30942
179: ok 30943
179: ok 30944
179: ok 30945
179: ok 30946
179: ok 30947
179: ok 30948
179: ok 30949
179: ok 30950
179: ok 30951
179: ok 30952
179: ok 30953
179: ok 30954
179: ok 30955
179: ok 30956
179: ok 30957
179: ok 30958
179: ok 30959
179: ok 30960
179: ok 30961
179: ok 30962
179: ok 30963
179: ok 30964
179: ok 30965
179: ok 30966
179: ok 30967
179: ok 30968
179: ok 30969
179: ok 30970
179: ok 30971
179: ok 30972
179: ok 30973
179: ok 30974
179: ok 30975
179: ok 30976
179: ok 30977
179: ok 30978
179: ok 30979
179: ok 30980
179: ok 30981
179: ok 30982
179: ok 30983
179: ok 30984
179: ok 30985
179: ok 30986
179: ok 30987
179: ok 30988
179: ok 30989
179: ok 30990
179: ok 30991
179: ok 30992
179: ok 30993
179: ok 30994
179: ok 30995
179: ok 30996
179: ok 30997
179: ok 30998
179: ok 30999
179: ok 31000
179: ok 31001
179: ok 31002
179: ok 31003
179: ok 31004
179: ok 31005
179: ok 31006
179: ok 31007
179: ok 31008
179: ok 31009
179: ok 31010
179: ok 31011
179: ok 31012
179: ok 31013
179: ok 31014
179: ok 31015
179: ok 31016
179: ok 31017
179: ok 31018
179: ok 31019
179: ok 31020
179: ok 31021
179: ok 31022
179: ok 31023
179: ok 31024
179: ok 31025
179: ok 31026
179: ok 31027
179: ok 31028
179: ok 31029
179: ok 31030
179: ok 31031
179: ok 31032
179: ok 31033
179: ok 31034
179: ok 31035
179: ok 31036
179: ok 31037
179: ok 31038
179: ok 31039
179: ok 31040
179: ok 31041
179: ok 31042
179: ok 31043
179: ok 31044
179: ok 31045
179: ok 31046
179: ok 31047
179: ok 31048
179: ok 31049
179: ok 31050
179: ok 31051
179: ok 31052
179: ok 31053
179: ok 31054
179: ok 31055
179: ok 31056
179: ok 31057
179: ok 31058
179: ok 31059
179: ok 31060
179: ok 31061
179: ok 31062
179: ok 31063
179: ok 31064
179: ok 31065
179: ok 31066
179: ok 31067
179: ok 31068
179: ok 31069
179: ok 31070
179: ok 31071
179: ok 31072
179: ok 31073
179: ok 31074
179: ok 31075
179: ok 31076
179: ok 31077
179: ok 31078
179: ok 31079
179: ok 31080
179: ok 31081
179: ok 31082
179: ok 31083
179: ok 31084
179: ok 31085
179: ok 31086
179: ok 31087
179: ok 31088
179: ok 31089
179: ok 31090
179: ok 31091
179: ok 31092
179: ok 31093
179: ok 31094
179: ok 31095
179: ok 31096
179: ok 31097
179: ok 31098
179: ok 31099
179: ok 31100
179: ok 31101
179: ok 31102
179: ok 31103
179: ok 31104
179: ok 31105
179: ok 31106
179: ok 31107
179: ok 31108
179: ok 31109
179: ok 31110
179: ok 31111
179: ok 31112
179: ok 31113
179: ok 31114
179: ok 31115
179: ok 31116
179: ok 31117
179: ok 31118
179: ok 31119
179: ok 31120
179: ok 31121
179: ok 31122
179: ok 31123
179: ok 31124
179: ok 31125
179: ok 31126
179: ok 31127
179: ok 31128
179: ok 31129
179: ok 31130
179: ok 31131
179: ok 31132
179: ok 31133
179: ok 31134
179: ok 31135
179: ok 31136
179: ok 31137
179: ok 31138
179: ok 31139
179: ok 31140
179: ok 31141
179: ok 31142
179: ok 31143
179: ok 31144
179: ok 31145
179: ok 31146
179: ok 31147
179: ok 31148
179: ok 31149
179: ok 31150
179: ok 31151
179: ok 31152
179: ok 31153
179: ok 31154
179: ok 31155
179: ok 31156
179: ok 31157
179: ok 31158
179: ok 31159
179: ok 31160
179: ok 31161
179: ok 31162
179: ok 31163
179: ok 31164
179: ok 31165
179: ok 31166
179: ok 31167
179: ok 31168
179: ok 31169
179: ok 31170
179: ok 31171
179: ok 31172
179: ok 31173
179: ok 31174
179: ok 31175
179: ok 31176
179: ok 31177
179: ok 31178
179: ok 31179
179: ok 31180
179: ok 31181
179: ok 31182
179: ok 31183
179: ok 31184
179: ok 31185
179: ok 31186
179: ok 31187
179: ok 31188
179: ok 31189
179: ok 31190
179: ok 31191
179: ok 31192
179: ok 31193
179: ok 31194
179: ok 31195
179: ok 31196
179: ok 31197
179: ok 31198
179: ok 31199
179: ok 31200
179: ok 31201
179: ok 31202
179: ok 31203
179: ok 31204
179: ok 31205
179: ok 31206
179: ok 31207
179: ok 31208
179: ok 31209
179: ok 31210
179: ok 31211
179: ok 31212
179: ok 31213
179: ok 31214
179: ok 31215
179: ok 31216
179: ok 31217
179: ok 31218
179: ok 31219
179: ok 31220
179: ok 31221
179: ok 31222
179: ok 31223
179: ok 31224
179: ok 31225
179: ok 31226
179: ok 31227
179: ok 31228
179: ok 31229
179: ok 31230
179: ok 31231
179: ok 31232
179: ok 31233
179: ok 31234
179: ok 31235
179: ok 31236
179: ok 31237
179: ok 31238
179: ok 31239
179: ok 31240
179: ok 31241
179: ok 31242
179: ok 31243
179: ok 31244
179: ok 31245
179: ok 31246
179: ok 31247
179: ok 31248
179: ok 31249
179: ok 31250
179: ok 31251
179: ok 31252
179: ok 31253
179: ok 31254
179: ok 31255
179: ok 31256
179: ok 31257
179: ok 31258
179: ok 31259
179: ok 31260
179: ok 31261
179: ok 31262
179: ok 31263
179: ok 31264
179: ok 31265
179: ok 31266
179: ok 31267
179: ok 31268
179: ok 31269
179: ok 31270
179: ok 31271
179: ok 31272
179: ok 31273
179: ok 31274
179: ok 31275
179: ok 31276
179: ok 31277
179: ok 31278
179: ok 31279
179: ok 31280
179: ok 31281
179: ok 31282
179: ok 31283
179: ok 31284
179: ok 31285
179: ok 31286
179: ok 31287
179: ok 31288
179: ok 31289
179: ok 31290
179: ok 31291
179: ok 31292
179: ok 31293
179: ok 31294
179: ok 31295
179: ok 31296
179: ok 31297
179: ok 31298
179: ok 31299
179: ok 31300
179: ok 31301
179: ok 31302
179: ok 31303
179: ok 31304
179: ok 31305
179: ok 31306
179: ok 31307
179: ok 31308
179: ok 31309
179: ok 31310
179: ok 31311
179: ok 31312
179: ok 31313
179: ok 31314
179: ok 31315
179: ok 31316
179: ok 31317
179: ok 31318
179: ok 31319
179: ok 31320
179: ok 31321
179: ok 31322
179: ok 31323
179: ok 31324
179: ok 31325
179: ok 31326
179: ok 31327
179: ok 31328
179: ok 31329
179: ok 31330
179: ok 31331
179: ok 31332
179: ok 31333
179: ok 31334
179: ok 31335
179: ok 31336
179: ok 31337
179: ok 31338
179: ok 31339
179: ok 31340
179: ok 31341
179: ok 31342
179: ok 31343
179: ok 31344
179: ok 31345
179: ok 31346
179: ok 31347
179: ok 31348
179: ok 31349
179: ok 31350
179: ok 31351
179: ok 31352
179: ok 31353
179: ok 31354
179: ok 31355
179: ok 31356
179: ok 31357
179: ok 31358
179: ok 31359
179: ok 31360
179: ok 31361
179: ok 31362
179: ok 31363
179: ok 31364
179: ok 31365
179: ok 31366
179: ok 31367
179: ok 31368
179: ok 31369
179: ok 31370
179: ok 31371
179: ok 31372
179: ok 31373
179: ok 31374
179: ok 31375
179: ok 31376
179: ok 31377
179: ok 31378
179: ok 31379
179: ok 31380
179: ok 31381
179: ok 31382
179: ok 31383
179: ok 31384
179: ok 31385
179: ok 31386
179: ok 31387
179: ok 31388
179: ok 31389
179: ok 31390
179: ok 31391
179: ok 31392
179: ok 31393
179: ok 31394
179: ok 31395
179: ok 31396
179: ok 31397
179: ok 31398
179: ok 31399
179: ok 31400
179: ok 31401
179: ok 31402
179: ok 31403
179: ok 31404
179: ok 31405
179: ok 31406
179: ok 31407
179: ok 31408
179: ok 31409
179: ok 31410
179: ok 31411
179: ok 31412
179: ok 31413
179: ok 31414
179: ok 31415
179: ok 31416
179: ok 31417
179: ok 31418
179: ok 31419
179: ok 31420
179: ok 31421
179: ok 31422
179: ok 31423
179: ok 31424
179: ok 31425
179: ok 31426
179: ok 31427
179: ok 31428
179: ok 31429
179: ok 31430
179: ok 31431
179: ok 31432
179: ok 31433
179: ok 31434
179: ok 31435
179: ok 31436
179: ok 31437
179: ok 31438
179: ok 31439
179: ok 31440
179: ok 31441
179: ok 31442
179: ok 31443
179: ok 31444
179: ok 31445
179: ok 31446
179: ok 31447
179: ok 31448
179: ok 31449
179: ok 31450
179: ok 31451
179: ok 31452
179: ok 31453
179: ok 31454
179: ok 31455
179: ok 31456
179: ok 31457
179: ok 31458
179: ok 31459
179: ok 31460
179: ok 31461
179: ok 31462
179: ok 31463
179: ok 31464
179: ok 31465
179: ok 31466
179: ok 31467
179: ok 31468
179: ok 31469
179: ok 31470
179: ok 31471
179: ok 31472
179: ok 31473
179: ok 31474
179: ok 31475
179: ok 31476
179: ok 31477
179: ok 31478
179: ok 31479
179: ok 31480
179: ok 31481
179: ok 31482
179: ok 31483
179: ok 31484
179: ok 31485
179: ok 31486
179: ok 31487
179: ok 31488
179: ok 31489
179: ok 31490
179: ok 31491
179: ok 31492
179: ok 31493
179: ok 31494
179: ok 31495
179: ok 31496
179: ok 31497
179: ok 31498
179: ok 31499
179: ok 31500
179: ok 31501
179: ok 31502
179: ok 31503
179: ok 31504
179: ok 31505
179: ok 31506
179: ok 31507
179: ok 31508
179: ok 31509
179: ok 31510
179: ok 31511
179: ok 31512
179: ok 31513
179: ok 31514
179: ok 31515
179: ok 31516
179: ok 31517
179: ok 31518
179: ok 31519
179: ok 31520
179: ok 31521
179: ok 31522
179: ok 31523
179: ok 31524
179: ok 31525
179: ok 31526
179: ok 31527
179: ok 31528
179: ok 31529
179: ok 31530
179: ok 31531
179: ok 31532
179: ok 31533
179: ok 31534
179: ok 31535
179: ok 31536
179: ok 31537
179: ok 31538
179: ok 31539
179: ok 31540
179: ok 31541
179: ok 31542
179: ok 31543
179: ok 31544
179: ok 31545
179: ok 31546
179: ok 31547
179: ok 31548
179: ok 31549
179: ok 31550
179: ok 31551
179: ok 31552
179: ok 31553
179: ok 31554
179: ok 31555
179: ok 31556
179: ok 31557
179: ok 31558
179: ok 31559
179: ok 31560
179: ok 31561
179: ok 31562
179: ok 31563
179: ok 31564
179: ok 31565
179: ok 31566
179: ok 31567
179: ok 31568
179: ok 31569
179: ok 31570
179: ok 31571
179: ok 31572
179: ok 31573
179: ok 31574
179: ok 31575
179: ok 31576
179: ok 31577
179: ok 31578
179: ok 31579
179: ok 31580
179: ok 31581
179: ok 31582
179: ok 31583
179: ok 31584
179: ok 31585
179: ok 31586
179: ok 31587
179: ok 31588
179: ok 31589
179: ok 31590
179: ok 31591
179: ok 31592
179: ok 31593
179: ok 31594
179: ok 31595
179: ok 31596
179: ok 31597
179: ok 31598
179: ok 31599
179: ok 31600
179: ok 31601
179: ok 31602
179: ok 31603
179: ok 31604
179: ok 31605
179: ok 31606
179: ok 31607
179: ok 31608
179: ok 31609
179: ok 31610
179: ok 31611
179: ok 31612
179: ok 31613
179: ok 31614
179: ok 31615
179: ok 31616
179: ok 31617
179: ok 31618
179: ok 31619
179: ok 31620
179: ok 31621
179: ok 31622
179: ok 31623
179: ok 31624
179: ok 31625
179: ok 31626
179: ok 31627
179: ok 31628
179: ok 31629
179: ok 31630
179: ok 31631
179: ok 31632
179: ok 31633
179: ok 31634
179: ok 31635
179: ok 31636
179: ok 31637
179: ok 31638
179: ok 31639
179: ok 31640
179: ok 31641
179: ok 31642
179: ok 31643
179: ok 31644
179: ok 31645
179: ok 31646
179: ok 31647
179: ok 31648
179: ok 31649
179: ok 31650
179: ok 31651
179: ok 31652
179: ok 31653
179: ok 31654
179: ok 31655
179: ok 31656
179: ok 31657
179: ok 31658
179: ok 31659
179: ok 31660
179: ok 31661
179: ok 31662
179: ok 31663
179: ok 31664
179: ok 31665
179: ok 31666
179: ok 31667
179: ok 31668
179: ok 31669
179: ok 31670
179: ok 31671
179: ok 31672
179: ok 31673
179: ok 31674
179: ok 31675
179: ok 31676
179: ok 31677
179: ok 31678
179: ok 31679
179: ok 31680
179: ok 31681
179: ok 31682
179: ok 31683
179: ok 31684
179: ok 31685
179: ok 31686
179: ok 31687
179: ok 31688
179: ok 31689
179: ok 31690
179: ok 31691
179: ok 31692
179: ok 31693
179: ok 31694
179: ok 31695
179: ok 31696
179: ok 31697
179: ok 31698
179: ok 31699
179: ok 31700
179: ok 31701
179: ok 31702
179: ok 31703
179: ok 31704
179: ok 31705
179: ok 31706
179: ok 31707
179: ok 31708
179: ok 31709
179: ok 31710
179: ok 31711
179: ok 31712
179: ok 31713
179: ok 31714
179: ok 31715
179: ok 31716
179: ok 31717
179: ok 31718
179: ok 31719
179: ok 31720
179: ok 31721
179: ok 31722
179: ok 31723
179: ok 31724
179: ok 31725
179: ok 31726
179: ok 31727
179: ok 31728
179: ok 31729
179: ok 31730
179: ok 31731
179: ok 31732
179: ok 31733
179: ok 31734
179: ok 31735
179: ok 31736
179: ok 31737
179: ok 31738
179: ok 31739
179: ok 31740
179: ok 31741
179: ok 31742
179: ok 31743
179: ok 31744
179: ok 31745
179: ok 31746
179: ok 31747
179: ok 31748
179: ok 31749
179: ok 31750
179: ok 31751
179: ok 31752
179: ok 31753
179: ok 31754
179: ok 31755
179: ok 31756
179: ok 31757
179: ok 31758
179: ok 31759
179: ok 31760
179: ok 31761
179: ok 31762
179: ok 31763
179: ok 31764
179: ok 31765
179: ok 31766
179: ok 31767
179: ok 31768
179: ok 31769
179: ok 31770
179: ok 31771
179: ok 31772
179: ok 31773
179: ok 31774
179: ok 31775
179: ok 31776
179: ok 31777
179: ok 31778
179: ok 31779
179: ok 31780
179: ok 31781
179: ok 31782
179: ok 31783
179: ok 31784
179: ok 31785
179: ok 31786
179: ok 31787
179: ok 31788
179: ok 31789
179: ok 31790
179: ok 31791
179: ok 31792
179: ok 31793
179: ok 31794
179: ok 31795
179: ok 31796
179: ok 31797
179: ok 31798
179: ok 31799
179: ok 31800
179: ok 31801
179: ok 31802
179: ok 31803
179: ok 31804
179: ok 31805
179: ok 31806
179: ok 31807
179: ok 31808
179: ok 31809
179: ok 31810
179: ok 31811
179: ok 31812
179: ok 31813
179: ok 31814
179: ok 31815
179: ok 31816
179: ok 31817
179: ok 31818
179: ok 31819
179: ok 31820
179: ok 31821
179: ok 31822
179: ok 31823
179: ok 31824
179: ok 31825
179: ok 31826
179: ok 31827
179: ok 31828
179: ok 31829
179: ok 31830
179: ok 31831
179: ok 31832
179: ok 31833
179: ok 31834
179: ok 31835
179: ok 31836
179: ok 31837
179: ok 31838
179: ok 31839
179: ok 31840
179: ok 31841
179: ok 31842
179: ok 31843
179: ok 31844
179: ok 31845
179: ok 31846
179: ok 31847
179: ok 31848
179: ok 31849
179: ok 31850
179: ok 31851
179: ok 31852
179: ok 31853
179: ok 31854
179: ok 31855
179: ok 31856
179: ok 31857
179: ok 31858
179: ok 31859
179: ok 31860
179: ok 31861
179: ok 31862
179: ok 31863
179: ok 31864
179: ok 31865
179: ok 31866
179: ok 31867
179: ok 31868
179: ok 31869
179: ok 31870
179: ok 31871
179: ok 31872
179: ok 31873
179: ok 31874
179: ok 31875
179: ok 31876
179: ok 31877
179: ok 31878
179: ok 31879
179: ok 31880
179: ok 31881
179: ok 31882
179: ok 31883
179: ok 31884
179: ok 31885
179: ok 31886
179: ok 31887
179: ok 31888
179: ok 31889
179: ok 31890
179: ok 31891
179: ok 31892
179: ok 31893
179: ok 31894
179: ok 31895
179: ok 31896
179: ok 31897
179: ok 31898
179: ok 31899
179: ok 31900
179: ok 31901
179: ok 31902
179: ok 31903
179: ok 31904
179: ok 31905
179: ok 31906
179: ok 31907
179: ok 31908
179: ok 31909
179: ok 31910
179: ok 31911
179: ok 31912
179: ok 31913
179: ok 31914
179: ok 31915
179: ok 31916
179: ok 31917
179: ok 31918
179: ok 31919
179: ok 31920
179: ok 31921
179: ok 31922
179: ok 31923
179: ok 31924
179: ok 31925
179: ok 31926
179: ok 31927
179: ok 31928
179: ok 31929
179: ok 31930
179: ok 31931
179: ok 31932
179: ok 31933
179: ok 31934
179: ok 31935
179: ok 31936
179: ok 31937
179: ok 31938
179: ok 31939
179: ok 31940
179: ok 31941
179: ok 31942
179: ok 31943
179: ok 31944
179: ok 31945
179: ok 31946
179: ok 31947
179: ok 31948
179: ok 31949
179: ok 31950
179: ok 31951
179: ok 31952
179: ok 31953
179: ok 31954
179: ok 31955
179: ok 31956
179: ok 31957
179: ok 31958
179: ok 31959
179: ok 31960
179: ok 31961
179: ok 31962
179: ok 31963
179: ok 31964
179: ok 31965
179: ok 31966
179: ok 31967
179: ok 31968
179: ok 31969
179: ok 31970
179: ok 31971
179: ok 31972
179: ok 31973
179: ok 31974
179: ok 31975
179: ok 31976
179: ok 31977
179: ok 31978
179: ok 31979
179: ok 31980
179: ok 31981
179: ok 31982
179: ok 31983
179: ok 31984
179: ok 31985
179: ok 31986
179: ok 31987
179: ok 31988
179: ok 31989
179: ok 31990
179: ok 31991
179: ok 31992
179: ok 31993
179: ok 31994
179: ok 31995
179: ok 31996
179: ok 31997
179: ok 31998
179: ok 31999
179: ok 32000
179: ok 32001
179: ok 32002
179: ok 32003
179: ok 32004
179: ok 32005
179: ok 32006
179: ok 32007
179: ok 32008
179: ok 32009
179: ok 32010
179: ok 32011
179: ok 32012
179: ok 32013
179: ok 32014
179: ok 32015
179: ok 32016
179: ok 32017
179: ok 32018
179: ok 32019
179: ok 32020
179: ok 32021
179: ok 32022
179: ok 32023
179: ok 32024
179: ok 32025
179: ok 32026
179: ok 32027
179: ok 32028
179: ok 32029
179: ok 32030
179: ok 32031
179: ok 32032
179: ok 32033
179: ok 32034
179: ok 32035
179: ok 32036
179: ok 32037
179: ok 32038
179: ok 32039
179: ok 32040
179: ok 32041
179: ok 32042
179: ok 32043
179: ok 32044
179: ok 32045
179: ok 32046
179: ok 32047
179: ok 32048
179: ok 32049
179: ok 32050
179: ok 32051
179: ok 32052
179: ok 32053
179: ok 32054
179: ok 32055
179: ok 32056
179: ok 32057
179: ok 32058
179: ok 32059
179: ok 32060
179: ok 32061
179: ok 32062
179: ok 32063
179: ok 32064
179: ok 32065
179: ok 32066
179: ok 32067
179: ok 32068
179: ok 32069
179: ok 32070
179: ok 32071
179: ok 32072
179: ok 32073
179: ok 32074
179: ok 32075
179: ok 32076
179: ok 32077
179: ok 32078
179: ok 32079
179: ok 32080
179: ok 32081
179: ok 32082
179: ok 32083
179: ok 32084
179: ok 32085
179: ok 32086
179: ok 32087
179: ok 32088
179: ok 32089
179: ok 32090
179: ok 32091
179: ok 32092
179: ok 32093
179: ok 32094
179: ok 32095
179: ok 32096
179: ok 32097
179: ok 32098
179: ok 32099
179: ok 32100
179: ok 32101
179: ok 32102
179: ok 32103
179: ok 32104
179: ok 32105
179: ok 32106
179: ok 32107
179: ok 32108
179: ok 32109
179: ok 32110
179: ok 32111
179: ok 32112
179: ok 32113
179: ok 32114
179: ok 32115
179: ok 32116
179: ok 32117
179: ok 32118
179: ok 32119
179: ok 32120
179: ok 32121
179: ok 32122
179: ok 32123
179: ok 32124
179: ok 32125
179: ok 32126
179: ok 32127
179: ok 32128
179: ok 32129
179: ok 32130
179: ok 32131
179: ok 32132
179: ok 32133
179: ok 32134
179: ok 32135
179: ok 32136
179: ok 32137
179: ok 32138
179: ok 32139
179: ok 32140
179: ok 32141
179: ok 32142
179: ok 32143
179: ok 32144
179: ok 32145
179: ok 32146
179: ok 32147
179: ok 32148
179: ok 32149
179: ok 32150
179: ok 32151
179: ok 32152
179: ok 32153
179: ok 32154
179: ok 32155
179: ok 32156
179: ok 32157
179: ok 32158
179: ok 32159
179: ok 32160
179: ok 32161
179: ok 32162
179: ok 32163
179: ok 32164
179: ok 32165
179: ok 32166
179: ok 32167
179: ok 32168
179: ok 32169
179: ok 32170
179: ok 32171
179: ok 32172
179: ok 32173
179: ok 32174
179: ok 32175
179: ok 32176
179: ok 32177
179: ok 32178
179: ok 32179
179: ok 32180
179: ok 32181
179: ok 32182
179: ok 32183
179: ok 32184
179: ok 32185
179: ok 32186
179: ok 32187
179: ok 32188
179: ok 32189
179: ok 32190
179: ok 32191
179: ok 32192
179: ok 32193
179: ok 32194
179: ok 32195
179: ok 32196
179: ok 32197
179: ok 32198
179: ok 32199
179: ok 32200
179: ok 32201
179: ok 32202
179: ok 32203
179: ok 32204
179: ok 32205
179: ok 32206
179: ok 32207
179: ok 32208
179: ok 32209
179: ok 32210
179: ok 32211
179: ok 32212
179: ok 32213
179: ok 32214
179: ok 32215
179: ok 32216
179: ok 32217
179: ok 32218
179: ok 32219
179: ok 32220
179: ok 32221
179: ok 32222
179: ok 32223
179: ok 32224
179: ok 32225
179: ok 32226
179: ok 32227
179: ok 32228
179: ok 32229
179: ok 32230
179: ok 32231
179: ok 32232
179: ok 32233
179: ok 32234
179: ok 32235
179: ok 32236
179: ok 32237
179: ok 32238
179: ok 32239
179: ok 32240
179: ok 32241
179: ok 32242
179: ok 32243
179: ok 32244
179: ok 32245
179: ok 32246
179: ok 32247
179: ok 32248
179: ok 32249
179: ok 32250
179: ok 32251
179: ok 32252
179: ok 32253
179: ok 32254
179: ok 32255
179: ok 32256
179: ok 32257
179: ok 32258
179: ok 32259
179: ok 32260
179: ok 32261
179: ok 32262
179: ok 32263
179: ok 32264
179: ok 32265
179: ok 32266
179: ok 32267
179: ok 32268
179: ok 32269
179: ok 32270
179: ok 32271
179: ok 32272
179: ok 32273
179: ok 32274
179: ok 32275
179: ok 32276
179: ok 32277
179: ok 32278
179: ok 32279
179: ok 32280
179: ok 32281
179: ok 32282
179: ok 32283
179: ok 32284
179: ok 32285
179: ok 32286
179: ok 32287
179: ok 32288
179: ok 32289
179: ok 32290
179: ok 32291
179: ok 32292
179: ok 32293
179: ok 32294
179: ok 32295
179: ok 32296
179: ok 32297
179: ok 32298
179: ok 32299
179: ok 32300
179: ok 32301
179: ok 32302
179: ok 32303
179: ok 32304
179: ok 32305
179: ok 32306
179: ok 32307
179: ok 32308
179: ok 32309
179: ok 32310
179: ok 32311
179: ok 32312
179: ok 32313
179: ok 32314
179: ok 32315
179: ok 32316
179: ok 32317
179: ok 32318
179: ok 32319
179: ok 32320
179: ok 32321
179: ok 32322
179: ok 32323
179: ok 32324
179: ok 32325
179: ok 32326
179: ok 32327
179: ok 32328
179: ok 32329
179: ok 32330
179: ok 32331
179: ok 32332
179: ok 32333
179: ok 32334
179: ok 32335
179: ok 32336
179: ok 32337
179: ok 32338
179: ok 32339
179: ok 32340
179: ok 32341
179: ok 32342
179: ok 32343
179: ok 32344
179: ok 32345
179: ok 32346
179: ok 32347
179: ok 32348
179: ok 32349
179: ok 32350
179: ok 32351
179: ok 32352
179: ok 32353
179: ok 32354
179: ok 32355
179: ok 32356
179: ok 32357
179: ok 32358
179: ok 32359
179: ok 32360
179: ok 32361
179: ok 32362
179: ok 32363
179: ok 32364
179: ok 32365
179: ok 32366
179: ok 32367
179: ok 32368
179: ok 32369
179: ok 32370
179: ok 32371
179: ok 32372
179: ok 32373
179: ok 32374
179: ok 32375
179: ok 32376
179: ok 32377
179: ok 32378
179: ok 32379
179: ok 32380
179: ok 32381
179: ok 32382
179: ok 32383
179: ok 32384
179: ok 32385
179: ok 32386
179: ok 32387
179: ok 32388
179: ok 32389
179: ok 32390
179: ok 32391
179: ok 32392
179: ok 32393
179: ok 32394
179: ok 32395
179: ok 32396
179: ok 32397
179: ok 32398
179: ok 32399
179: ok 32400
179: ok 32401
179: ok 32402
179: ok 32403
179: ok 32404
179: ok 32405
179: ok 32406
179: ok 32407
179: ok 32408
179: ok 32409
179: ok 32410
179: ok 32411
179: ok 32412
179: ok 32413
179: ok 32414
179: ok 32415
179: ok 32416
179: ok 32417
179: ok 32418
179: ok 32419
179: ok 32420
179: ok 32421
179: ok 32422
179: ok 32423
179: ok 32424
179: ok 32425
179: ok 32426
179: ok 32427
179: ok 32428
179: ok 32429
179: ok 32430
179: ok 32431
179: ok 32432
179: ok 32433
179: ok 32434
179: ok 32435
179: ok 32436
179: ok 32437
179: ok 32438
179: ok 32439
179: ok 32440
179: ok 32441
179: ok 32442
179: ok 32443
179: ok 32444
179: ok 32445
179: ok 32446
179: ok 32447
179: ok 32448
179: ok 32449
179: ok 32450
179: ok 32451
179: ok 32452
179: ok 32453
179: ok 32454
179: ok 32455
179: ok 32456
179: ok 32457
179: ok 32458
179: ok 32459
179: ok 32460
179: ok 32461
179: ok 32462
179: ok 32463
179: ok 32464
179: ok 32465
179: ok 32466
179: ok 32467
179: ok 32468
179: ok 32469
179: ok 32470
179: ok 32471
179: ok 32472
179: ok 32473
179: ok 32474
179: ok 32475
179: ok 32476
179: ok 32477
179: ok 32478
179: ok 32479
179: ok 32480
179: ok 32481
179: ok 32482
179: ok 32483
179: ok 32484
179: ok 32485
179: ok 32486
179: ok 32487
179: ok 32488
179: ok 32489
179: ok 32490
179: ok 32491
179: ok 32492
179: ok 32493
179: ok 32494
179: ok 32495
179: ok 32496
179: ok 32497
179: ok 32498
179: ok 32499
179: ok 32500
179: ok 32501
179: ok 32502
179: ok 32503
179: ok 32504
179: ok 32505
179: ok 32506
179: ok 32507
179: ok 32508
179: ok 32509
179: ok 32510
179: ok 32511
179: ok 32512
179: ok 32513
179: ok 32514
179: ok 32515
179: ok 32516
179: ok 32517
179: ok 32518
179: ok 32519
179: ok 32520
179: ok 32521
179: ok 32522
179: ok 32523
179: ok 32524
179: ok 32525
179: ok 32526
179: ok 32527
179: ok 32528
179: ok 32529
179: ok 32530
179: ok 32531
179: ok 32532
179: ok 32533
179: ok 32534
179: ok 32535
179: ok 32536
179: ok 32537
179: ok 32538
179: ok 32539
179: ok 32540
179: ok 32541
179: ok 32542
179: ok 32543
179: ok 32544
179: ok 32545
179: ok 32546
179: ok 32547
179: ok 32548
179: ok 32549
179: ok 32550
179: ok 32551
179: ok 32552
179: ok 32553
179: ok 32554
179: ok 32555
179: ok 32556
179: ok 32557
179: ok 32558
179: ok 32559
179: ok 32560
179: ok 32561
179: ok 32562
179: ok 32563
179: ok 32564
179: ok 32565
179: ok 32566
179: ok 32567
179: ok 32568
179: ok 32569
179: ok 32570
179: ok 32571
179: ok 32572
179: ok 32573
179: ok 32574
179: ok 32575
179: ok 32576
179: ok 32577
179: ok 32578
179: ok 32579
179: ok 32580
179: ok 32581
179: ok 32582
179: ok 32583
179: ok 32584
179: ok 32585
179: ok 32586
179: ok 32587
179: ok 32588
179: ok 32589
179: ok 32590
179: ok 32591
179: ok 32592
179: ok 32593
179: ok 32594
179: ok 32595
179: ok 32596
179: ok 32597
179: ok 32598
179: ok 32599
179: ok 32600
179: ok 32601
179: ok 32602
179: ok 32603
179: ok 32604
179: ok 32605
179: ok 32606
179: ok 32607
179: ok 32608
179: ok 32609
179: ok 32610
179: ok 32611
179: ok 32612
179: ok 32613
179: ok 32614
179: ok 32615
179: ok 32616
179: ok 32617
179: ok 32618
179: ok 32619
179: ok 32620
179: ok 32621
179: ok 32622
179: ok 32623
179: ok 32624
179: ok 32625
179: ok 32626
179: ok 32627
179: ok 32628
179: ok 32629
179: ok 32630
179: ok 32631
179: ok 32632
179: ok 32633
179: ok 32634
179: ok 32635
179: ok 32636
179: ok 32637
179: ok 32638
179: ok 32639
179: ok 32640
179: ok 32641
179: ok 32642
179: ok 32643
179: ok 32644
179: ok 32645
179: ok 32646
179: ok 32647
179: ok 32648
179: ok 32649
179: ok 32650
179: ok 32651
179: ok 32652
179: ok 32653
179: ok 32654
179: ok 32655
179: ok 32656
179: ok 32657
179: ok 32658
179: ok 32659
179: ok 32660
179: ok 32661
179: ok 32662
179: ok 32663
179: ok 32664
179: ok 32665
179: ok 32666
179: ok 32667
179: ok 32668
179: ok 32669
179: ok 32670
179: ok 32671
179: ok 32672
179: ok 32673
179: ok 32674
179: ok 32675
179: ok 32676
179: ok 32677
179: ok 32678
179: ok 32679
179: ok 32680
179: ok 32681
179: ok 32682
179: ok 32683
179: ok 32684
179: ok 32685
179: ok 32686
179: ok 32687
179: ok 32688
179: ok 32689
179: ok 32690
179: ok 32691
179: ok 32692
179: ok 32693
179: ok 32694
179: ok 32695
179: ok 32696
179: ok 32697
179: ok 32698
179: ok 32699
179: ok 32700
179: ok 32701
179: ok 32702
179: ok 32703
179: ok 32704
179: ok 32705
179: ok 32706
179: ok 32707
179: ok 32708
179: ok 32709
179: ok 32710
179: ok 32711
179: ok 32712
179: ok 32713
179: ok 32714
179: ok 32715
179: ok 32716
179: ok 32717
179: ok 32718
179: ok 32719
179: ok 32720
179: ok 32721
179: ok 32722
179: ok 32723
179: ok 32724
179: ok 32725
179: ok 32726
179: ok 32727
179: ok 32728
179: ok 32729
179: ok 32730
179: ok 32731
179: ok 32732
179: ok 32733
179: ok 32734
179: ok 32735
179: ok 32736
179: ok 32737
179: ok 32738
179: ok 32739
179: ok 32740
179: ok 32741
179: ok 32742
179: ok 32743
179: ok 32744
179: ok 32745
179: ok 32746
179: ok 32747
179: ok 32748
179: ok 32749
179: ok 32750
179: ok 32751
179: ok 32752
179: ok 32753
179: ok 32754
179: ok 32755
179: ok 32756
179: ok 32757
179: ok 32758
179: ok 32759
179: ok 32760
179: ok 32761
179: ok 32762
179: ok 32763
179: ok 32764
179: ok 32765
179: ok 32766
179: ok 32767
179: ok 32768
179: ok 32769
179: ok 32770
179: ok 32771
179: ok 32772
179: ok 32773
179: ok 32774
179: ok 32775
179: ok 32776
179: ok 32777
179: ok 32778
179: ok 32779
179: ok 32780
179: ok 32781
179: ok 32782
179: ok 32783
179: ok 32784
179: ok 32785
179: ok 32786
179: ok 32787
179: ok 32788
179: ok 32789
179: ok 32790
179: ok 32791
179: ok 32792
179: ok 32793
179: ok 32794
179: ok 32795
179: ok 32796
179: ok 32797
179: ok 32798
179: ok 32799
179: ok 32800
179: ok 32801
179: ok 32802
179: ok 32803
179: ok 32804
179: ok 32805
179: ok 32806
179: ok 32807
179: ok 32808
179: ok 32809
179: ok 32810
179: ok 32811
179: ok 32812
179: ok 32813
179: ok 32814
179: ok 32815
179: ok 32816
179: ok 32817
179: ok 32818
179: ok 32819
179: ok 32820
179: ok 32821
179: ok 32822
179: ok 32823
179: ok 32824
179: ok 32825
179: ok 32826
179: ok 32827
179: ok 32828
179: ok 32829
179: ok 32830
179: ok 32831
179: ok 32832
179: ok 32833
179: ok 32834
179: ok 32835
179: ok 32836
179: ok 32837
179: ok 32838
179: ok 32839
179: ok 32840
179: ok 32841
179: ok 32842
179: ok 32843
179: ok 32844
179: ok 32845
179: ok 32846
179: ok 32847
179: ok 32848
179: ok 32849
179: ok 32850
179: ok 32851
179: ok 32852
179: ok 32853
179: ok 32854
179: ok 32855
179: ok 32856
179: ok 32857
179: ok 32858
179: ok 32859
179: ok 32860
179: ok 32861
179: ok 32862
179: ok 32863
179: ok 32864
179: ok 32865
179: ok 32866
179: ok 32867
179: ok 32868
179: ok 32869
179: ok 32870
179: ok 32871
179: ok 32872
179: ok 32873
179: ok 32874
179: ok 32875
179: ok 32876
179: ok 32877
179: ok 32878
179: ok 32879
179: ok 32880
179: ok 32881
179: ok 32882
179: ok 32883
179: ok 32884
179: ok 32885
179: ok 32886
179: ok 32887
179: ok 32888
179: ok 32889
179: ok 32890
179: ok 32891
179: ok 32892
179: ok 32893
179: ok 32894
179: ok 32895
179: ok 32896
179: ok 32897
179: ok 32898
179: ok 32899
179: ok 32900
179: ok 32901
179: ok 32902
179: ok 32903
179: ok 32904
179: ok 32905
179: ok 32906
179: ok 32907
179: ok 32908
179: ok 32909
179: ok 32910
179: ok 32911
179: ok 32912
179: ok 32913
179: ok 32914
179: ok 32915
179: ok 32916
179: ok 32917
179: ok 32918
179: ok 32919
179: ok 32920
179: ok 32921
179: ok 32922
179: ok 32923
179: ok 32924
179: ok 32925
179: ok 32926
179: ok 32927
179: ok 32928
179: ok 32929
179: ok 32930
179: ok 32931
179: ok 32932
179: ok 32933
179: ok 32934
179: ok 32935
179: ok 32936
179: ok 32937
179: ok 32938
179: ok 32939
179: ok 32940
179: ok 32941
179: ok 32942
179: ok 32943
179: ok 32944
179: ok 32945
179: ok 32946
179: ok 32947
179: ok 32948
179: ok 32949
179: ok 32950
179: ok 32951
179: ok 32952
179: ok 32953
179: ok 32954
179: ok 32955
179: ok 32956
179: ok 32957
179: ok 32958
179: ok 32959
179: ok 32960
179: ok 32961
179: ok 32962
179: ok 32963
179: ok 32964
179: ok 32965
179: ok 32966
179: ok 32967
179: ok 32968
179: ok 32969
179: ok 32970
179: ok 32971
179: ok 32972
179: ok 32973
179: ok 32974
179: ok 32975
179: ok 32976
179: ok 32977
179: ok 32978
179: ok 32979
179: ok 32980
179: ok 32981
179: ok 32982
179: ok 32983
179: ok 32984
179: ok 32985
179: ok 32986
179: ok 32987
179: ok 32988
179: ok 32989
179: ok 32990
179: ok 32991
179: ok 32992
179: ok 32993
179: ok 32994
179: ok 32995
179: ok 32996
179: ok 32997
179: ok 32998
179: ok 32999
179: ok 33000
179: ok 33001
179: ok 33002
179: ok 33003
179: ok 33004
179: ok 33005
179: ok 33006
179: ok 33007
179: ok 33008
179: ok 33009
179: ok 33010
179: ok 33011
179: ok 33012
179: ok 33013
179: ok 33014
179: ok 33015
179: ok 33016
179: ok 33017
179: ok 33018
179: ok 33019
179: ok 33020
179: ok 33021
179: ok 33022
179: ok 33023
179: ok 33024
179: ok 33025
179: ok 33026
179: ok 33027
179: ok 33028
179: ok 33029
179: ok 33030
179: ok 33031
179: ok 33032
179: ok 33033
179: ok 33034
179: ok 33035
179: ok 33036
179: ok 33037
179: ok 33038
179: ok 33039
179: ok 33040
179: ok 33041
179: ok 33042
179: ok 33043
179: ok 33044
179: ok 33045
179: ok 33046
179: ok 33047
179: ok 33048
179: ok 33049
179: ok 33050
179: ok 33051
179: ok 33052
179: ok 33053
179: ok 33054
179: ok 33055
179: ok 33056
179: ok 33057
179: ok 33058
179: ok 33059
179: ok 33060
179: ok 33061
179: ok 33062
179: ok 33063
179: ok 33064
179: ok 33065
179: ok 33066
179: ok 33067
179: ok 33068
179: ok 33069
179: ok 33070
179: ok 33071
179: ok 33072
179: ok 33073
179: ok 33074
179: ok 33075
179: ok 33076
179: ok 33077
179: ok 33078
179: ok 33079
179: ok 33080
179: ok 33081
179: ok 33082
179: ok 33083
179: ok 33084
179: ok 33085
179: ok 33086
179: ok 33087
179: ok 33088
179: ok 33089
179: ok 33090
179: ok 33091
179: ok 33092
179: ok 33093
179: ok 33094
179: ok 33095
179: ok 33096
179: ok 33097
179: ok 33098
179: ok 33099
179: ok 33100
179: ok 33101
179: ok 33102
179: ok 33103
179: ok 33104
179: ok 33105
179: ok 33106
179: ok 33107
179: ok 33108
179: ok 33109
179: ok 33110
179: ok 33111
179: ok 33112
179: ok 33113
179: ok 33114
179: ok 33115
179: ok 33116
179: ok 33117
179: ok 33118
179: ok 33119
179: ok 33120
179: ok 33121
179: ok 33122
179: ok 33123
179: ok 33124
179: ok 33125
179: ok 33126
179: ok 33127
179: ok 33128
179: ok 33129
179: ok 33130
179: ok 33131
179: ok 33132
179: ok 33133
179: ok 33134
179: ok 33135
179: ok 33136
179: ok 33137
179: ok 33138
179: ok 33139
179: ok 33140
179: ok 33141
179: ok 33142
179: ok 33143
179: ok 33144
179: ok 33145
179: ok 33146
179: ok 33147
179: ok 33148
179: ok 33149
179: ok 33150
179: ok 33151
179: ok 33152
179: ok 33153
179: ok 33154
179: ok 33155
179: ok 33156
179: ok 33157
179: ok 33158
179: ok 33159
179: ok 33160
179: ok 33161
179: ok 33162
179: ok 33163
179: ok 33164
179: ok 33165
179: ok 33166
179: ok 33167
179: ok 33168
179: ok 33169
179: ok 33170
179: ok 33171
179: ok 33172
179: ok 33173
179: ok 33174
179: ok 33175
179: ok 33176
179: ok 33177
179: ok 33178
179: ok 33179
179: ok 33180
179: ok 33181
179: ok 33182
179: ok 33183
179: ok 33184
179: ok 33185
179: ok 33186
179: ok 33187
179: ok 33188
179: ok 33189
179: ok 33190
179: ok 33191
179: ok 33192
179: ok 33193
179: ok 33194
179: ok 33195
179: ok 33196
179: ok 33197
179: ok 33198
179: ok 33199
179: ok 33200
179: ok 33201
179: ok 33202
179: ok 33203
179: ok 33204
179: ok 33205
179: ok 33206
179: ok 33207
179: ok 33208
179: ok 33209
179: ok 33210
179: ok 33211
179: ok 33212
179: ok 33213
179: ok 33214
179: ok 33215
179: ok 33216
179: ok 33217
179: ok 33218
179: ok 33219
179: ok 33220
179: ok 33221
179: ok 33222
179: ok 33223
179: ok 33224
179: ok 33225
179: ok 33226
179: ok 33227
179: ok 33228
179: ok 33229
179: ok 33230
179: ok 33231
179: ok 33232
179: ok 33233
179: ok 33234
179: ok 33235
179: ok 33236
179: ok 33237
179: ok 33238
179: ok 33239
179: ok 33240
179: ok 33241
179: ok 33242
179: ok 33243
179: ok 33244
179: ok 33245
179: ok 33246
179: ok 33247
179: ok 33248
179: ok 33249
179: ok 33250
179: ok 33251
179: ok 33252
179: ok 33253
179: ok 33254
179: ok 33255
179: ok 33256
179: ok 33257
179: ok 33258
179: ok 33259
179: ok 33260
179: ok 33261
179: ok 33262
179: ok 33263
179: ok 33264
179: ok 33265
179: ok 33266
179: ok 33267
179: ok 33268
179: ok 33269
179: ok 33270
179: ok 33271
179: ok 33272
179: ok 33273
179: ok 33274
179: ok 33275
179: ok 33276
179: ok 33277
179: ok 33278
179: ok 33279
179: ok 33280
179: ok 33281
179: ok 33282
179: ok 33283
179: ok 33284
179: ok 33285
179: ok 33286
179: ok 33287
179: ok 33288
179: ok 33289
179: ok 33290
179: ok 33291
179: ok 33292
179: ok 33293
179: ok 33294
179: ok 33295
179: ok 33296
179: ok 33297
179: ok 33298
179: ok 33299
179: ok 33300
179: ok 33301
179: ok 33302
179: ok 33303
179: ok 33304
179: ok 33305
179: ok 33306
179: ok 33307
179: ok 33308
179: ok 33309
179: ok 33310
179: ok 33311
179: ok 33312
179: ok 33313
179: ok 33314
179: ok 33315
179: ok 33316
179: ok 33317
179: ok 33318
179: ok 33319
179: ok 33320
179: ok 33321
179: ok 33322
179: ok 33323
179: ok 33324
179: ok 33325
179: ok 33326
179: ok 33327
179: ok 33328
179: ok 33329
179: ok 33330
179: ok 33331
179: ok 33332
179: ok 33333
179: ok 33334
179: ok 33335
179: ok 33336
179: ok 33337
179: ok 33338
179: ok 33339
179: ok 33340
179: ok 33341
179: ok 33342
179: ok 33343
179: ok 33344
179: ok 33345
179: ok 33346
179: ok 33347
179: ok 33348
179: ok 33349
179: ok 33350
179: ok 33351
179: ok 33352
179: ok 33353
179: ok 33354
179: ok 33355
179: ok 33356
179: ok 33357
179: ok 33358
179: ok 33359
179: ok 33360
179: ok 33361
179: ok 33362
179: ok 33363
179: ok 33364
179: ok 33365
179: ok 33366
179: ok 33367
179: ok 33368
179: ok 33369
179: ok 33370
179: ok 33371
179: ok 33372
179: ok 33373
179: ok 33374
179: ok 33375
179: ok 33376
179: ok 33377
179: ok 33378
179: ok 33379
179: ok 33380
179: ok 33381
179: ok 33382
179: ok 33383
179: ok 33384
179: ok 33385
179: ok 33386
179: ok 33387
179: ok 33388
179: ok 33389
179: ok 33390
179: ok 33391
179: ok 33392
179: ok 33393
179: ok 33394
179: ok 33395
179: ok 33396
179: ok 33397
179: ok 33398
179: ok 33399
179: ok 33400
179: ok 33401
179: ok 33402
179: ok 33403
179: ok 33404
179: ok 33405
179: ok 33406
179: ok 33407
179: ok 33408
179: ok 33409
179: ok 33410
179: ok 33411
179: ok 33412
179: ok 33413
179: ok 33414
179: ok 33415
179: ok 33416
179: ok 33417
179: ok 33418
179: ok 33419
179: ok 33420
179: ok 33421
179: ok 33422
179: ok 33423
179: ok 33424
179: ok 33425
179: ok 33426
179: ok 33427
179: ok 33428
179: ok 33429
179: ok 33430
179: ok 33431
179: ok 33432
179: ok 33433
179: ok 33434
179: ok 33435
179: ok 33436
179: ok 33437
179: ok 33438
179: ok 33439
179: ok 33440
179: ok 33441
179: ok 33442
179: ok 33443
179: ok 33444
179: ok 33445
179: ok 33446
179: ok 33447
179: ok 33448
179: ok 33449
179: ok 33450
179: ok 33451
179: ok 33452
179: ok 33453
179: ok 33454
179: ok 33455
179: ok 33456
179: ok 33457
179: ok 33458
179: ok 33459
179: ok 33460
179: ok 33461
179: ok 33462
179: ok 33463
179: ok 33464
179: ok 33465
179: ok 33466
179: ok 33467
179: ok 33468
179: ok 33469
179: ok 33470
179: ok 33471
179: ok 33472
179: ok 33473
179: ok 33474
179: ok 33475
179: ok 33476
179: ok 33477
179: ok 33478
179: ok 33479
179: ok 33480
179: ok 33481
179: ok 33482
179: ok 33483
179: ok 33484
179: ok 33485
179: ok 33486
179: ok 33487
179: ok 33488
179: ok 33489
179: ok 33490
179: ok 33491
179: ok 33492
179: ok 33493
179: ok 33494
179: ok 33495
179: ok 33496
179: ok 33497
179: ok 33498
179: ok 33499
179: ok 33500
179: ok 33501
179: ok 33502
179: ok 33503
179: ok 33504
179: ok 33505
179: ok 33506
179: ok 33507
179: ok 33508
179: ok 33509
179: ok 33510
179: ok 33511
179: ok 33512
179: ok 33513
179: ok 33514
179: ok 33515
179: ok 33516
179: ok 33517
179: ok 33518
179: ok 33519
179: ok 33520
179: ok 33521
179: ok 33522
179: ok 33523
179: ok 33524
179: ok 33525
179: ok 33526
179: ok 33527
179: ok 33528
179: ok 33529
179: ok 33530
179: ok 33531
179: ok 33532
179: ok 33533
179: ok 33534
179: ok 33535
179: ok 33536
179: ok 33537
179: ok 33538
179: ok 33539
179: ok 33540
179: ok 33541
179: ok 33542
179: ok 33543
179: ok 33544
179: ok 33545
179: ok 33546
179: ok 33547
179: ok 33548
179: ok 33549
179: ok 33550
179: ok 33551
179: ok 33552
179: ok 33553
179: ok 33554
179: ok 33555
179: ok 33556
179: ok 33557
179: ok 33558
179: ok 33559
179: ok 33560
179: ok 33561
179: ok 33562
179: ok 33563
179: ok 33564
179: ok 33565
179: ok 33566
179: ok 33567
179: ok 33568
179: ok 33569
179: ok 33570
179: ok 33571
179: ok 33572
179: ok 33573
179: ok 33574
179: ok 33575
179: ok 33576
179: ok 33577
179: ok 33578
179: ok 33579
179: ok 33580
179: ok 33581
179: ok 33582
179: ok 33583
179: ok 33584
179: ok 33585
179: ok 33586
179: ok 33587
179: ok 33588
179: ok 33589
179: ok 33590
179: ok 33591
179: ok 33592
179: ok 33593
179: ok 33594
179: ok 33595
179: ok 33596
179: ok 33597
179: ok 33598
179: ok 33599
179: ok 33600
179: ok 33601
179: ok 33602
179: ok 33603
179: ok 33604
179: ok 33605
179: ok 33606
179: ok 33607
179: ok 33608
179: ok 33609
179: ok 33610
179: ok 33611
179: ok 33612
179: ok 33613
179: ok 33614
179: ok 33615
179: ok 33616
179: ok 33617
179: ok 33618
179: ok 33619
179: ok 33620
179: ok 33621
179: ok 33622
179: ok 33623
179: ok 33624
179: ok 33625
179: ok 33626
179: ok 33627
179: ok 33628
179: ok 33629
179: ok 33630
179: ok 33631
179: ok 33632
179: ok 33633
179: ok 33634
179: ok 33635
179: ok 33636
179: ok 33637
179: ok 33638
179: ok 33639
179: ok 33640
179: ok 33641
179: ok 33642
179: ok 33643
179: ok 33644
179: ok 33645
179: ok 33646
179: ok 33647
179: ok 33648
179: ok 33649
179: ok 33650
179: ok 33651
179: ok 33652
179: ok 33653
179: ok 33654
179: ok 33655
179: ok 33656
179: ok 33657
179: ok 33658
179: ok 33659
179: ok 33660
179: ok 33661
179: ok 33662
179: ok 33663
179: ok 33664
179: ok 33665
179: ok 33666
179: ok 33667
179: ok 33668
179: ok 33669
179: ok 33670
179: ok 33671
179: ok 33672
179: ok 33673
179: ok 33674
179: ok 33675
179: ok 33676
179: ok 33677
179: ok 33678
179: ok 33679
179: ok 33680
179: ok 33681
179: ok 33682
179: ok 33683
179: ok 33684
179: ok 33685
179: ok 33686
179: ok 33687
179: ok 33688
179: ok 33689
179: ok 33690
179: ok 33691
179: ok 33692
179: ok 33693
179: ok 33694
179: ok 33695
179: ok 33696
179: ok 33697
179: ok 33698
179: ok 33699
179: ok 33700
179: ok 33701
179: ok 33702
179: ok 33703
179: ok 33704
179: ok 33705
179: ok 33706
179: ok 33707
179: ok 33708
179: ok 33709
179: ok 33710
179: ok 33711
179: ok 33712
179: ok 33713
179: ok 33714
179: ok 33715
179: ok 33716
179: ok 33717
179: ok 33718
179: ok 33719
179: ok 33720
179: ok 33721
179: ok 33722
179: ok 33723
179: ok 33724
179: ok 33725
179: ok 33726
179: ok 33727
179: ok 33728
179: ok 33729
179: ok 33730
179: ok 33731
179: ok 33732
179: ok 33733
179: ok 33734
179: ok 33735
179: ok 33736
179: ok 33737
179: ok 33738
179: ok 33739
179: ok 33740
179: ok 33741
179: ok 33742
179: ok 33743
179: ok 33744
179: ok 33745
179: ok 33746
179: ok 33747
179: ok 33748
179: ok 33749
179: ok 33750
179: ok 33751
179: ok 33752
179: ok 33753
179: ok 33754
179: ok 33755
179: ok 33756
179: ok 33757
179: ok 33758
179: ok 33759
179: ok 33760
179: ok 33761
179: ok 33762
179: ok 33763
179: ok 33764
179: ok 33765
179: ok 33766
179: ok 33767
179: ok 33768
179: ok 33769
179: ok 33770
179: ok 33771
179: ok 33772
179: ok 33773
179: ok 33774
179: ok 33775
179: ok 33776
179: ok 33777
179: ok 33778
179: ok 33779
179: ok 33780
179: ok 33781
179: ok 33782
179: ok 33783
179: ok 33784
179: ok 33785
179: ok 33786
179: ok 33787
179: ok 33788
179: ok 33789
179: ok 33790
179: ok 33791
179: ok 33792
179: ok 33793
179: ok 33794
179: ok 33795
179: ok 33796
179: ok 33797
179: ok 33798
179: ok 33799
179: ok 33800
179: ok 33801
179: ok 33802
179: ok 33803
179: ok 33804
179: ok 33805
179: ok 33806
179: ok 33807
179: ok 33808
179: ok 33809
179: ok 33810
179: ok 33811
179: ok 33812
179: ok 33813
179: ok 33814
179: ok 33815
179: ok 33816
179: ok 33817
179: ok 33818
179: ok 33819
179: ok 33820
179: ok 33821
179: ok 33822
179: ok 33823
179: ok 33824
179: ok 33825
179: ok 33826
179: ok 33827
179: ok 33828
179: ok 33829
179: ok 33830
179: ok 33831
179: ok 33832
179: ok 33833
179: ok 33834
179: ok 33835
179: ok 33836
179: ok 33837
179: ok 33838
179: ok 33839
179: ok 33840
179: ok 33841
179: ok 33842
179: ok 33843
179: ok 33844
179: ok 33845
179: ok 33846
179: ok 33847
179: ok 33848
179: ok 33849
179: ok 33850
179: ok 33851
179: ok 33852
179: ok 33853
179: ok 33854
179: ok 33855
179: ok 33856
179: ok 33857
179: ok 33858
179: ok 33859
179: ok 33860
179: ok 33861
179: ok 33862
179: ok 33863
179: ok 33864
179: ok 33865
179: ok 33866
179: ok 33867
179: ok 33868
179: ok 33869
179: ok 33870
179: ok 33871
179: ok 33872
179: ok 33873
179: ok 33874
179: ok 33875
179: ok 33876
179: ok 33877
179: ok 33878
179: ok 33879
179: ok 33880
179: ok 33881
179: ok 33882
179: ok 33883
179: ok 33884
179: ok 33885
179: ok 33886
179: ok 33887
179: ok 33888
179: ok 33889
179: ok 33890
179: ok 33891
179: ok 33892
179: ok 33893
179: ok 33894
179: ok 33895
179: ok 33896
179: ok 33897
179: ok 33898
179: ok 33899
179: ok 33900
179: ok 33901
179: ok 33902
179: ok 33903
179: ok 33904
179: ok 33905
179: ok 33906
179: ok 33907
179: ok 33908
179: ok 33909
179: ok 33910
179: ok 33911
179: ok 33912
179: ok 33913
179: ok 33914
179: ok 33915
179: ok 33916
179: ok 33917
179: ok 33918
179: ok 33919
179: ok 33920
179: ok 33921
179: ok 33922
179: ok 33923
179: ok 33924
179: ok 33925
179: ok 33926
179: ok 33927
179: ok 33928
179: ok 33929
179: ok 33930
179: ok 33931
179: ok 33932
179: ok 33933
179: ok 33934
179: ok 33935
179: ok 33936
179: ok 33937
179: ok 33938
179: ok 33939
179: ok 33940
179: ok 33941
179: ok 33942
179: ok 33943
179: ok 33944
179: ok 33945
179: ok 33946
179: ok 33947
179: ok 33948
179: ok 33949
179: ok 33950
179: ok 33951
179: ok 33952
179: ok 33953
179: ok 33954
179: ok 33955
179: ok 33956
179: ok 33957
179: ok 33958
179: ok 33959
179: ok 33960
179: ok 33961
179: ok 33962
179: ok 33963
179: ok 33964
179: ok 33965
179: ok 33966
179: ok 33967
179: ok 33968
179: ok 33969
179: ok 33970
179: ok 33971
179: ok 33972
179: ok 33973
179: ok 33974
179: ok 33975
179: ok 33976
179: ok 33977
179: ok 33978
179: ok 33979
179: ok 33980
179: ok 33981
179: ok 33982
179: ok 33983
179: ok 33984
179: ok 33985
179: ok 33986
179: ok 33987
179: ok 33988
179: ok 33989
179: ok 33990
179: ok 33991
179: ok 33992
179: ok 33993
179: ok 33994
179: ok 33995
179: ok 33996
179: ok 33997
179: ok 33998
179: ok 33999
179: ok 34000
179: ok 34001
179: ok 34002
179: ok 34003
179: ok 34004
179: ok 34005
179: ok 34006
179: ok 34007
179: ok 34008
179: ok 34009
179: ok 34010
179: ok 34011
179: ok 34012
179: ok 34013
179: ok 34014
179: ok 34015
179: ok 34016
179: ok 34017
179: ok 34018
179: ok 34019
179: ok 34020
179: ok 34021
179: ok 34022
179: ok 34023
179: ok 34024
179: ok 34025
179: ok 34026
179: ok 34027
179: ok 34028
179: ok 34029
179: ok 34030
179: ok 34031
179: ok 34032
179: ok 34033
179: ok 34034
179: ok 34035
179: ok 34036
179: ok 34037
179: ok 34038
179: ok 34039
179: ok 34040
179: ok 34041
179: ok 34042
179: ok 34043
179: ok 34044
179: ok 34045
179: ok 34046
179: ok 34047
179: ok 34048
179: ok 34049
179: ok 34050
179: ok 34051
179: ok 34052
179: ok 34053
179: ok 34054
179: ok 34055
179: ok 34056
179: ok 34057
179: ok 34058
179: ok 34059
179: ok 34060
179: ok 34061
179: ok 34062
179: ok 34063
179: ok 34064
179: ok 34065
179: ok 34066
179: ok 34067
179: ok 34068
179: ok 34069
179: ok 34070
179: ok 34071
179: ok 34072
179: ok 34073
179: ok 34074
179: ok 34075
179: ok 34076
179: ok 34077
179: ok 34078
179: ok 34079
179: ok 34080
179: ok 34081
179: ok 34082
179: ok 34083
179: ok 34084
179: ok 34085
179: ok 34086
179: ok 34087
179: ok 34088
179: ok 34089
179: ok 34090
179: ok 34091
179: ok 34092
179: ok 34093
179: ok 34094
179: ok 34095
179: ok 34096
179: ok 34097
179: ok 34098
179: ok 34099
179: ok 34100
179: ok 34101
179: ok 34102
179: ok 34103
179: ok 34104
179: ok 34105
179: ok 34106
179: ok 34107
179: ok 34108
179: ok 34109
179: ok 34110
179: ok 34111
179: ok 34112
179: ok 34113
179: ok 34114
179: ok 34115
179: ok 34116
179: ok 34117
179: ok 34118
179: ok 34119
179: ok 34120
179: ok 34121
179: ok 34122
179: ok 34123
179: ok 34124
179: ok 34125
179: ok 34126
179: ok 34127
179: ok 34128
179: ok 34129
179: ok 34130
179: ok 34131
179: ok 34132
179: ok 34133
179: ok 34134
179: ok 34135
179: ok 34136
179: ok 34137
179: ok 34138
179: ok 34139
179: ok 34140
179: ok 34141
179: ok 34142
179: ok 34143
179: ok 34144
179: ok 34145
179: ok 34146
179: ok 34147
179: ok 34148
179: ok 34149
179: ok 34150
179: ok 34151
179: ok 34152
179: ok 34153
179: ok 34154
179: ok 34155
179: ok 34156
179: ok 34157
179: ok 34158
179: ok 34159
179: ok 34160
179: ok 34161
179: ok 34162
179: ok 34163
179: ok 34164
179: ok 34165
179: ok 34166
179: ok 34167
179: ok 34168
179: ok 34169
179: ok 34170
179: ok 34171
179: ok 34172
179: ok 34173
179: ok 34174
179: ok 34175
179: ok 34176
179: ok 34177
179: ok 34178
179: ok 34179
179: ok 34180
179: ok 34181
179: ok 34182
179: ok 34183
179: ok 34184
179: ok 34185
179: ok 34186
179: ok 34187
179: ok 34188
179: ok 34189
179: ok 34190
179: ok 34191
179: ok 34192
179: ok 34193
179: ok 34194
179: ok 34195
179: ok 34196
179: ok 34197
179: ok 34198
179: ok 34199
179: ok 34200
179: ok 34201
179: ok 34202
179: ok 34203
179: ok 34204
179: ok 34205
179: ok 34206
179: ok 34207
179: ok 34208
179: ok 34209
179: ok 34210
179: ok 34211
179: ok 34212
179: ok 34213
179: ok 34214
179: ok 34215
179: ok 34216
179: ok 34217
179: ok 34218
179: ok 34219
179: ok 34220
179: ok 34221
179: ok 34222
179: ok 34223
179: ok 34224
179: ok 34225
179: ok 34226
179: ok 34227
179: ok 34228
179: ok 34229
179: ok 34230
179: ok 34231
179: ok 34232
179: ok 34233
179: ok 34234
179: ok 34235
179: ok 34236
179: ok 34237
179: ok 34238
179: ok 34239
179: ok 34240
179: ok 34241
179: ok 34242
179: ok 34243
179: ok 34244
179: ok 34245
179: ok 34246
179: ok 34247
179: ok 34248
179: ok 34249
179: ok 34250
179: ok 34251
179: ok 34252
179: ok 34253
179: ok 34254
179: ok 34255
179: ok 34256
179: ok 34257
179: ok 34258
179: ok 34259
179: ok 34260
179: ok 34261
179: ok 34262
179: ok 34263
179: ok 34264
179: ok 34265
179: ok 34266
179: ok 34267
179: ok 34268
179: ok 34269
179: ok 34270
179: ok 34271
179: ok 34272
179: ok 34273
179: ok 34274
179: ok 34275
179: ok 34276
179: ok 34277
179: ok 34278
179: ok 34279
179: ok 34280
179: ok 34281
179: ok 34282
179: ok 34283
179: ok 34284
179: ok 34285
179: ok 34286
179: ok 34287
179: ok 34288
179: ok 34289
179: ok 34290
179: ok 34291
179: ok 34292
179: ok 34293
179: ok 34294
179: ok 34295
179: ok 34296
179: ok 34297
179: ok 34298
179: ok 34299
179: ok 34300
179: ok 34301
179: ok 34302
179: ok 34303
179: ok 34304
179: ok 34305
179: ok 34306
179: ok 34307
179: ok 34308
179: ok 34309
179: ok 34310
179: ok 34311
179: ok 34312
179: ok 34313
179: ok 34314
179: ok 34315
179: ok 34316
179: ok 34317
179: ok 34318
179: ok 34319
179: ok 34320
179: ok 34321
179: ok 34322
179: ok 34323
179: ok 34324
179: ok 34325
179: ok 34326
179: ok 34327
179: ok 34328
179: ok 34329
179: ok 34330
179: ok 34331
179: ok 34332
179: ok 34333
179: ok 34334
179: ok 34335
179: ok 34336
179: ok 34337
179: ok 34338
179: ok 34339
179: ok 34340
179: ok 34341
179: ok 34342
179: ok 34343
179: ok 34344
179: ok 34345
179: ok 34346
179: ok 34347
179: ok 34348
179: ok 34349
179: ok 34350
179: ok 34351
179: ok 34352
179: ok 34353
179: ok 34354
179: ok 34355
179: ok 34356
179: ok 34357
179: ok 34358
179: ok 34359
179: ok 34360
179: ok 34361
179: ok 34362
179: ok 34363
179: ok 34364
179: ok 34365
179: ok 34366
179: ok 34367
179: ok 34368
179: ok 34369
179: ok 34370
179: ok 34371
179: ok 34372
179: ok 34373
179: ok 34374
179: ok 34375
179: ok 34376
179: ok 34377
179: ok 34378
179: ok 34379
179: ok 34380
179: ok 34381
179: ok 34382
179: ok 34383
179: ok 34384
179: ok 34385
179: ok 34386
179: ok 34387
179: ok 34388
179: ok 34389
179: ok 34390
179: ok 34391
179: ok 34392
179: ok 34393
179: ok 34394
179: ok 34395
179: ok 34396
179: ok 34397
179: ok 34398
179: ok 34399
179: ok 34400
179: ok 34401
179: ok 34402
179: ok 34403
179: ok 34404
179: ok 34405
179: ok 34406
179: ok 34407
179: ok 34408
179: ok 34409
179: ok 34410
179: ok 34411
179: ok 34412
179: ok 34413
179: ok 34414
179: ok 34415
179: ok 34416
179: ok 34417
179: ok 34418
179: ok 34419
179: ok 34420
179: ok 34421
179: ok 34422
179: ok 34423
179: ok 34424
179: ok 34425
179: ok 34426
179: ok 34427
179: ok 34428
179: ok 34429
179: ok 34430
179: ok 34431
179: ok 34432
179: ok 34433
179: ok 34434
179: ok 34435
179: ok 34436
179: ok 34437
179: ok 34438
179: ok 34439
179: ok 34440
179: ok 34441
179: ok 34442
179: ok 34443
179: ok 34444
179: ok 34445
179: ok 34446
179: ok 34447
179: ok 34448
179: ok 34449
179: ok 34450
179: ok 34451
179: ok 34452
179: ok 34453
179: ok 34454
179: ok 34455
179: ok 34456
179: ok 34457
179: ok 34458
179: ok 34459
179: ok 34460
179: ok 34461
179: ok 34462
179: ok 34463
179: ok 34464
179: ok 34465
179: ok 34466
179: ok 34467
179: ok 34468
179: ok 34469
179: ok 34470
179: ok 34471
179: ok 34472
179: ok 34473
179: ok 34474
179: ok 34475
179: ok 34476
179: ok 34477
179: ok 34478
179: ok 34479
179: ok 34480
179: ok 34481
179: ok 34482
179: ok 34483
179: ok 34484
179: ok 34485
179: ok 34486
179: ok 34487
179: ok 34488
179: ok 34489
179: ok 34490
179: ok 34491
179: ok 34492
179: ok 34493
179: ok 34494
179: ok 34495
179: ok 34496
179: ok 34497
179: ok 34498
179: ok 34499
179: ok 34500
179: ok 34501
179: ok 34502
179: ok 34503
179: ok 34504
179: ok 34505
179: ok 34506
179: ok 34507
179: ok 34508
179: ok 34509
179: ok 34510
179: ok 34511
179: ok 34512
179: ok 34513
179: ok 34514
179: ok 34515
179: ok 34516
179: ok 34517
179: ok 34518
179: ok 34519
179: ok 34520
179: ok 34521
179: ok 34522
179: ok 34523
179: ok 34524
179: ok 34525
179: ok 34526
179: ok 34527
179: ok 34528
179: ok 34529
179: ok 34530
179: ok 34531
179: ok 34532
179: ok 34533
179: ok 34534
179: ok 34535
179: ok 34536
179: ok 34537
179: ok 34538
179: ok 34539
179: ok 34540
179: ok 34541
179: ok 34542
179: ok 34543
179: ok 34544
179: ok 34545
179: ok 34546
179: ok 34547
179: ok 34548
179: ok 34549
179: ok 34550
179: ok 34551
179: ok 34552
179: ok 34553
179: ok 34554
179: ok 34555
179: ok 34556
179: ok 34557
179: ok 34558
179: ok 34559
179: ok 34560
179: ok 34561
179: ok 34562
179: ok 34563
179: ok 34564
179: ok 34565
179: ok 34566
179: ok 34567
179: ok 34568
179: ok 34569
179: ok 34570
179: ok 34571
179: ok 34572
179: ok 34573
179: ok 34574
179: ok 34575
179: ok 34576
179: ok 34577
179: ok 34578
179: ok 34579
179: ok 34580
179: ok 34581
179: ok 34582
179: ok 34583
179: ok 34584
179: ok 34585
179: ok 34586
179: ok 34587
179: ok 34588
179: ok 34589
179: ok 34590
179: ok 34591
179: ok 34592
179: ok 34593
179: ok 34594
179: ok 34595
179: ok 34596
179: ok 34597
179: ok 34598
179: ok 34599
179: ok 34600
179: ok 34601
179: ok 34602
179: ok 34603
179: ok 34604
179: ok 34605
179: ok 34606
179: ok 34607
179: ok 34608
179: ok 34609
179: ok 34610
179: ok 34611
179: ok 34612
179: ok 34613
179: ok 34614
179: ok 34615
179: ok 34616
179: ok 34617
179: ok 34618
179: ok 34619
179: ok 34620
179: ok 34621
179: ok 34622
179: ok 34623
179: ok 34624
179: ok 34625
179: ok 34626
179: ok 34627
179: ok 34628
179: ok 34629
179: ok 34630
179: ok 34631
179: ok 34632
179: ok 34633
179: ok 34634
179: ok 34635
179: ok 34636
179: ok 34637
179: ok 34638
179: ok 34639
179: ok 34640
179: ok 34641
179: ok 34642
179: ok 34643
179: ok 34644
179: ok 34645
179: ok 34646
179: ok 34647
179: ok 34648
179: ok 34649
179: ok 34650
179: ok 34651
179: ok 34652
179: ok 34653
179: ok 34654
179: ok 34655
179: ok 34656
179: ok 34657
179: ok 34658
179: ok 34659
179: ok 34660
179: ok 34661
179: ok 34662
179: ok 34663
179: ok 34664
179: ok 34665
179: ok 34666
179: ok 34667
179: ok 34668
179: ok 34669
179: ok 34670
179: ok 34671
179: ok 34672
179: ok 34673
179: ok 34674
179: ok 34675
179: ok 34676
179: ok 34677
179: ok 34678
179: ok 34679
179: ok 34680
179: ok 34681
179: ok 34682
179: ok 34683
179: ok 34684
179: ok 34685
179: ok 34686
179: ok 34687
179: ok 34688
179: ok 34689
179: ok 34690
179: ok 34691
179: ok 34692
179: ok 34693
179: ok 34694
179: ok 34695
179: ok 34696
179: ok 34697
179: ok 34698
179: ok 34699
179: ok 34700
179: ok 34701
179: ok 34702
179: ok 34703
179: ok 34704
179: ok 34705
179: ok 34706
179: ok 34707
179: ok 34708
179: ok 34709
179: ok 34710
179: ok 34711
179: ok 34712
179: ok 34713
179: ok 34714
179: ok 34715
179: ok 34716
179: ok 34717
179: ok 34718
179: ok 34719
179: ok 34720
179: ok 34721
179: ok 34722
179: ok 34723
179: ok 34724
179: ok 34725
179: ok 34726
179: ok 34727
179: ok 34728
179: ok 34729
179: ok 34730
179: ok 34731
179: ok 34732
179: ok 34733
179: ok 34734
179: ok 34735
179: ok 34736
179: ok 34737
179: ok 34738
179: ok 34739
179: ok 34740
179: ok 34741
179: ok 34742
179: ok 34743
179: ok 34744
179: ok 34745
179: ok 34746
179: ok 34747
179: ok 34748
179: ok 34749
179: ok 34750
179: ok 34751
179: ok 34752
179: ok 34753
179: ok 34754
179: ok 34755
179: ok 34756
179: ok 34757
179: ok 34758
179: ok 34759
179: ok 34760
179: ok 34761
179: ok 34762
179: ok 34763
179: ok 34764
179: ok 34765
179: ok 34766
179: ok 34767
179: ok 34768
179: ok 34769
179: ok 34770
179: ok 34771
179: ok 34772
179: ok 34773
179: ok 34774
179: ok 34775
179: ok 34776
179: ok 34777
179: ok 34778
179: ok 34779
179: ok 34780
179: ok 34781
179: ok 34782
179: ok 34783
179: ok 34784
179: ok 34785
179: ok 34786
179: ok 34787
179: ok 34788
179: ok 34789
179: ok 34790
179: ok 34791
179: ok 34792
179: ok 34793
179: ok 34794
179: ok 34795
179: ok 34796
179: ok 34797
179: ok 34798
179: ok 34799
179: ok 34800
179: ok 34801
179: ok 34802
179: ok 34803
179: ok 34804
179: ok 34805
179: ok 34806
179: ok 34807
179: ok 34808
179: ok 34809
179: ok 34810
179: ok 34811
179: ok 34812
179: ok 34813
179: ok 34814
179: ok 34815
179: ok 34816
179: ok 34817
179: ok 34818
179: ok 34819
179: ok 34820
179: ok 34821
179: ok 34822
179: ok 34823
179: ok 34824
179: ok 34825
179: ok 34826
179: ok 34827
179: ok 34828
179: ok 34829
179: ok 34830
179: ok 34831
179: ok 34832
179: ok 34833
179: ok 34834
179: ok 34835
179: ok 34836
179: ok 34837
179: ok 34838
179: ok 34839
179: ok 34840
179: ok 34841
179: ok 34842
179: ok 34843
179: ok 34844
179: ok 34845
179: ok 34846
179: ok 34847
179: ok 34848
179: ok 34849
179: ok 34850
179: ok 34851
179: ok 34852
179: ok 34853
179: ok 34854
179: ok 34855
179: ok 34856
179: ok 34857
179: ok 34858
179: ok 34859
179: ok 34860
179: ok 34861
179: ok 34862
179: ok 34863
179: ok 34864
179: ok 34865
179: ok 34866
179: ok 34867
179: ok 34868
179: ok 34869
179: ok 34870
179: ok 34871
179: ok 34872
179: ok 34873
179: ok 34874
179: ok 34875
179: ok 34876
179: ok 34877
179: ok 34878
179: ok 34879
179: ok 34880
179: ok 34881
179: ok 34882
179: ok 34883
179: ok 34884
179: ok 34885
179: ok 34886
179: ok 34887
179: ok 34888
179: ok 34889
179: ok 34890
179: ok 34891
179: ok 34892
179: ok 34893
179: ok 34894
179: ok 34895
179: ok 34896
179: ok 34897
179: ok 34898
179: ok 34899
179: ok 34900
179: ok 34901
179: ok 34902
179: ok 34903
179: ok 34904
179: ok 34905
179: ok 34906
179: ok 34907
179: ok 34908
179: ok 34909
179: ok 34910
179: ok 34911
179: ok 34912
179: ok 34913
179: ok 34914
179: ok 34915
179: ok 34916
179: ok 34917
179: ok 34918
179: ok 34919
179: ok 34920
179: ok 34921
179: ok 34922
179: ok 34923
179: ok 34924
179: ok 34925
179: ok 34926
179: ok 34927
179: ok 34928
179: ok 34929
179: ok 34930
179: ok 34931
179: ok 34932
179: ok 34933
179: ok 34934
179: ok 34935
179: ok 34936
179: ok 34937
179: ok 34938
179: ok 34939
179: ok 34940
179: ok 34941
179: ok 34942
179: ok 34943
179: ok 34944
179: ok 34945
179: ok 34946
179: ok 34947
179: ok 34948
179: ok 34949
179: ok 34950
179: ok 34951
179: ok 34952
179: ok 34953
179: ok 34954
179: ok 34955
179: ok 34956
179: ok 34957
179: ok 34958
179: ok 34959
179: ok 34960
179: ok 34961
179: ok 34962
179: ok 34963
179: ok 34964
179: ok 34965
179: ok 34966
179: ok 34967
179: ok 34968
179: ok 34969
179: ok 34970
179: ok 34971
179: ok 34972
179: ok 34973
179: ok 34974
179: ok 34975
179: ok 34976
179: ok 34977
179: ok 34978
179: ok 34979
179: ok 34980
179: ok 34981
179: ok 34982
179: ok 34983
179: ok 34984
179: ok 34985
179: ok 34986
179: ok 34987
179: ok 34988
179: ok 34989
179: ok 34990
179: ok 34991
179: ok 34992
179: ok 34993
179: ok 34994
179: ok 34995
179: ok 34996
179: ok 34997
179: ok 34998
179: ok 34999
179: ok 35000
179: ok 35001
179: ok 35002
179: ok 35003
179: ok 35004
179: ok 35005
179: ok 35006
179: ok 35007
179: ok 35008
179: ok 35009
179: ok 35010
179: ok 35011
179: ok 35012
179: ok 35013
179: ok 35014
179: ok 35015
179: ok 35016
179: ok 35017
179: ok 35018
179: ok 35019
179: ok 35020
179: ok 35021
179: ok 35022
179: ok 35023
179: ok 35024
179: ok 35025
179: ok 35026
179: ok 35027
179: ok 35028
179: ok 35029
179: ok 35030
179: ok 35031
179: ok 35032
179: ok 35033
179: ok 35034
179: ok 35035
179: ok 35036
179: ok 35037
179: ok 35038
179: ok 35039
179: ok 35040
179: ok 35041
179: ok 35042
179: ok 35043
179: ok 35044
179: ok 35045
179: ok 35046
179: ok 35047
179: ok 35048
179: ok 35049
179: ok 35050
179: ok 35051
179: ok 35052
179: ok 35053
179: ok 35054
179: ok 35055
179: ok 35056
179: ok 35057
179: ok 35058
179: ok 35059
179: ok 35060
179: ok 35061
179: ok 35062
179: ok 35063
179: ok 35064
179: ok 35065
179: ok 35066
179: ok 35067
179: ok 35068
179: ok 35069
179: ok 35070
179: ok 35071
179: ok 35072
179: ok 35073
179: ok 35074
179: ok 35075
179: ok 35076
179: ok 35077
179: ok 35078
179: ok 35079
179: ok 35080
179: ok 35081
179: ok 35082
179: ok 35083
179: ok 35084
179: ok 35085
179: ok 35086
179: ok 35087
179: ok 35088
179: ok 35089
179: ok 35090
179: ok 35091
179: ok 35092
179: ok 35093
179: ok 35094
179: ok 35095
179: ok 35096
179: ok 35097
179: ok 35098
179: ok 35099
179: ok 35100
179: ok 35101
179: ok 35102
179: ok 35103
179: ok 35104
179: ok 35105
179: ok 35106
179: ok 35107
179: ok 35108
179: ok 35109
179: ok 35110
179: ok 35111
179: ok 35112
179: ok 35113
179: ok 35114
179: ok 35115
179: ok 35116
179: ok 35117
179: ok 35118
179: ok 35119
179: ok 35120
179: ok 35121
179: ok 35122
179: ok 35123
179: ok 35124
179: ok 35125
179: ok 35126
179: ok 35127
179: ok 35128
179: ok 35129
179: ok 35130
179: ok 35131
179: ok 35132
179: ok 35133
179: ok 35134
179: ok 35135
179: ok 35136
179: ok 35137
179: ok 35138
179: ok 35139
179: ok 35140
179: ok 35141
179: ok 35142
179: ok 35143
179: ok 35144
179: ok 35145
179: ok 35146
179: ok 35147
179: ok 35148
179: ok 35149
179: ok 35150
179: ok 35151
179: ok 35152
179: ok 35153
179: ok 35154
179: ok 35155
179: ok 35156
179: ok 35157
179: ok 35158
179: ok 35159
179: ok 35160
179: ok 35161
179: ok 35162
179: ok 35163
179: ok 35164
179: ok 35165
179: ok 35166
179: ok 35167
179: ok 35168
179: ok 35169
179: ok 35170
179: ok 35171
179: ok 35172
179: ok 35173
179: ok 35174
179: ok 35175
179: ok 35176
179: ok 35177
179: ok 35178
179: ok 35179
179: ok 35180
179: ok 35181
179: ok 35182
179: ok 35183
179: ok 35184
179: ok 35185
179: ok 35186
179: ok 35187
179: ok 35188
179: ok 35189
179: ok 35190
179: ok 35191
179: ok 35192
179: ok 35193
179: ok 35194
179: ok 35195
179: ok 35196
179: ok 35197
179: ok 35198
179: ok 35199
179: ok 35200
179: ok 35201
179: ok 35202
179: ok 35203
179: ok 35204
179: ok 35205
179: ok 35206
179: ok 35207
179: ok 35208
179: ok 35209
179: ok 35210
179: ok 35211
179: ok 35212
179: ok 35213
179: ok 35214
179: ok 35215
179: ok 35216
179: ok 35217
179: ok 35218
179: ok 35219
179: ok 35220
179: ok 35221
179: ok 35222
179: ok 35223
179: ok 35224
179: ok 35225
179: ok 35226
179: ok 35227
179: ok 35228
179: ok 35229
179: ok 35230
179: ok 35231
179: ok 35232
179: ok 35233
179: ok 35234
179: ok 35235
179: ok 35236
179: ok 35237
179: ok 35238
179: ok 35239
179: ok 35240
179: ok 35241
179: ok 35242
179: ok 35243
179: ok 35244
179: ok 35245
179: ok 35246
179: ok 35247
179: ok 35248
179: ok 35249
179: ok 35250
179: ok 35251
179: ok 35252
179: ok 35253
179: ok 35254
179: ok 35255
179: ok 35256
179: ok 35257
179: ok 35258
179: ok 35259
179: ok 35260
179: ok 35261
179: ok 35262
179: ok 35263
179: ok 35264
179: ok 35265
179: ok 35266
179: ok 35267
179: ok 35268
179: ok 35269
179: ok 35270
179: ok 35271
179: ok 35272
179: ok 35273
179: ok 35274
179: ok 35275
179: ok 35276
179: ok 35277
179: ok 35278
179: ok 35279
179: ok 35280
179: ok 35281
179: ok 35282
179: ok 35283
179: ok 35284
179: ok 35285
179: ok 35286
179: ok 35287
179: ok 35288
179: ok 35289
179: ok 35290
179: ok 35291
179: ok 35292
179: ok 35293
179: ok 35294
179: ok 35295
179: ok 35296
179: ok 35297
179: ok 35298
179: ok 35299
179: ok 35300
179: ok 35301
179: ok 35302
179: ok 35303
179: ok 35304
179: ok 35305
179: ok 35306
179: ok 35307
179: ok 35308
179: ok 35309
179: ok 35310
179: ok 35311
179: ok 35312
179: ok 35313
179: ok 35314
179: ok 35315
179: ok 35316
179: ok 35317
179: ok 35318
179: ok 35319
179: ok 35320
179: ok 35321
179: ok 35322
179: ok 35323
179: ok 35324
179: ok 35325
179: ok 35326
179: ok 35327
179: ok 35328
179: ok 35329
179: ok 35330
179: ok 35331
179: ok 35332
179: ok 35333
179: ok 35334
179: ok 35335
179: ok 35336
179: ok 35337
179: ok 35338
179: ok 35339
179: ok 35340
179: ok 35341
179: ok 35342
179: ok 35343
179: ok 35344
179: ok 35345
179: ok 35346
179: ok 35347
179: ok 35348
179: ok 35349
179: ok 35350
179: ok 35351
179: ok 35352
179: ok 35353
179: ok 35354
179: ok 35355
179: ok 35356
179: ok 35357
179: ok 35358
179: ok 35359
179: ok 35360
179: ok 35361
179: ok 35362
179: ok 35363
179: ok 35364
179: ok 35365
179: ok 35366
179: ok 35367
179: ok 35368
179: ok 35369
179: ok 35370
179: ok 35371
179: ok 35372
179: ok 35373
179: ok 35374
179: ok 35375
179: ok 35376
179: ok 35377
179: ok 35378
179: ok 35379
179: ok 35380
179: ok 35381
179: ok 35382
179: ok 35383
179: ok 35384
179: ok 35385
179: ok 35386
179: ok 35387
179: ok 35388
179: ok 35389
179: ok 35390
179: ok 35391
179: ok 35392
179: ok 35393
179: ok 35394
179: ok 35395
179: ok 35396
179: ok 35397
179: ok 35398
179: ok 35399
179: ok 35400
179: ok 35401
179: ok 35402
179: ok 35403
179: ok 35404
179: ok 35405
179: ok 35406
179: ok 35407
179: ok 35408
179: ok 35409
179: ok 35410
179: ok 35411
179: ok 35412
179: ok 35413
179: ok 35414
179: ok 35415
179: ok 35416
179: ok 35417
179: ok 35418
179: ok 35419
179: ok 35420
179: ok 35421
179: ok 35422
179: ok 35423
179: ok 35424
179: ok 35425
179: ok 35426
179: ok 35427
179: ok 35428
179: ok 35429
179: ok 35430
179: ok 35431
179: ok 35432
179: ok 35433
179: ok 35434
179: ok 35435
179: ok 35436
179: ok 35437
179: ok 35438
179: ok 35439
179: ok 35440
179: ok 35441
179: ok 35442
179: ok 35443
179: ok 35444
179: ok 35445
179: ok 35446
179: ok 35447
179: ok 35448
179: ok 35449
179: ok 35450
179: ok 35451
179: ok 35452
179: ok 35453
179: ok 35454
179: ok 35455
179: ok 35456
179: ok 35457
179: ok 35458
179: ok 35459
179: ok 35460
179: ok 35461
179: ok 35462
179: ok 35463
179: ok 35464
179: ok 35465
179: ok 35466
179: ok 35467
179: ok 35468
179: ok 35469
179: ok 35470
179: ok 35471
179: ok 35472
179: ok 35473
179: ok 35474
179: ok 35475
179: ok 35476
179: ok 35477
179: ok 35478
179: ok 35479
179: ok 35480
179: ok 35481
179: ok 35482
179: ok 35483
179: ok 35484
179: ok 35485
179: ok 35486
179: ok 35487
179: ok 35488
179: ok 35489
179: ok 35490
179: ok 35491
179: ok 35492
179: ok 35493
179: ok 35494
179: ok 35495
179: ok 35496
179: ok 35497
179: ok 35498
179: ok 35499
179: ok 35500
179: ok 35501
179: ok 35502
179: ok 35503
179: ok 35504
179: ok 35505
179: ok 35506
179: ok 35507
179: ok 35508
179: ok 35509
179: ok 35510
179: ok 35511
179: ok 35512
179: ok 35513
179: ok 35514
179: ok 35515
179: ok 35516
179: ok 35517
179: ok 35518
179: ok 35519
179: ok 35520
179: ok 35521
179: ok 35522
179: ok 35523
179: ok 35524
179: ok 35525
179: ok 35526
179: ok 35527
179: ok 35528
179: ok 35529
179: ok 35530
179: ok 35531
179: ok 35532
179: ok 35533
179: ok 35534
179: ok 35535
179: ok 35536
179: ok 35537
179: ok 35538
179: ok 35539
179: ok 35540
179: ok 35541
179: ok 35542
179: ok 35543
179: ok 35544
179: ok 35545
179: ok 35546
179: ok 35547
179: ok 35548
179: ok 35549
179: ok 35550
179: ok 35551
179: ok 35552
179: ok 35553
179: ok 35554
179: ok 35555
179: ok 35556
179: ok 35557
179: ok 35558
179: ok 35559
179: ok 35560
179: ok 35561
179: ok 35562
179: ok 35563
179: ok 35564
179: ok 35565
179: ok 35566
179: ok 35567
179: ok 35568
179: ok 35569
179: ok 35570
179: ok 35571
179: ok 35572
179: ok 35573
179: ok 35574
179: ok 35575
179: ok 35576
179: ok 35577
179: ok 35578
179: ok 35579
179: ok 35580
179: ok 35581
179: ok 35582
179: ok 35583
179: ok 35584
179: ok 35585
179: ok 35586
179: ok 35587
179: ok 35588
179: ok 35589
179: ok 35590
179: ok 35591
179: ok 35592
179: ok 35593
179: ok 35594
179: ok 35595
179: ok 35596
179: ok 35597
179: ok 35598
179: ok 35599
179: ok 35600
179: ok 35601
179: ok 35602
179: ok 35603
179: ok 35604
179: ok 35605
179: ok 35606
179: ok 35607
179: ok 35608
179: ok 35609
179: ok 35610
179: ok 35611
179: ok 35612
179: ok 35613
179: ok 35614
179: ok 35615
179: ok 35616
179: ok 35617
179: ok 35618
179: ok 35619
179: ok 35620
179: ok 35621
179: ok 35622
179: ok 35623
179: ok 35624
179: ok 35625
179: ok 35626
179: ok 35627
179: ok 35628
179: ok 35629
179: ok 35630
179: ok 35631
179: ok 35632
179: ok 35633
179: ok 35634
179: ok 35635
179: ok 35636
179: ok 35637
179: ok 35638
179: ok 35639
179: ok 35640
179: ok 35641
179: ok 35642
179: ok 35643
179: ok 35644
179: ok 35645
179: ok 35646
179: ok 35647
179: ok 35648
179: ok 35649
179: ok 35650
179: ok 35651
179: ok 35652
179: ok 35653
179: ok 35654
179: ok 35655
179: ok 35656
179: ok 35657
179: ok 35658
179: ok 35659
179: ok 35660
179: ok 35661
179: ok 35662
179: ok 35663
179: ok 35664
179: ok 35665
179: ok 35666
179: ok 35667
179: ok 35668
179: ok 35669
179: ok 35670
179: ok 35671
179: ok 35672
179: ok 35673
179: ok 35674
179: ok 35675
179: ok 35676
179: ok 35677
179: ok 35678
179: ok 35679
179: ok 35680
179: ok 35681
179: ok 35682
179: ok 35683
179: ok 35684
179: ok 35685
179: ok 35686
179: ok 35687
179: ok 35688
179: ok 35689
179: ok 35690
179: ok 35691
179: ok 35692
179: ok 35693
179: ok 35694
179: ok 35695
179: ok 35696
179: ok 35697
179: ok 35698
179: ok 35699
179: ok 35700
179: ok 35701
179: ok 35702
179: ok 35703
179: ok 35704
179: ok 35705
179: ok 35706
179: ok 35707
179: ok 35708
179: ok 35709
179: ok 35710
179: ok 35711
179: ok 35712
179: ok 35713
179: ok 35714
179: ok 35715
179: ok 35716
179: ok 35717
179: ok 35718
179: ok 35719
179: ok 35720
179: ok 35721
179: ok 35722
179: ok 35723
179: ok 35724
179: ok 35725
179: ok 35726
179: ok 35727
179: ok 35728
179: ok 35729
179: ok 35730
179: ok 35731
179: ok 35732
179: ok 35733
179: ok 35734
179: ok 35735
179: ok 35736
179: ok 35737
179: ok 35738
179: ok 35739
179: ok 35740
179: ok 35741
179: ok 35742
179: ok 35743
179: ok 35744
179: ok 35745
179: ok 35746
179: ok 35747
179: ok 35748
179: ok 35749
179: ok 35750
179: ok 35751
179: ok 35752
179: ok 35753
179: ok 35754
179: ok 35755
179: ok 35756
179: ok 35757
179: ok 35758
179: ok 35759
179: ok 35760
179: ok 35761
179: ok 35762
179: ok 35763
179: ok 35764
179: ok 35765
179: ok 35766
179: ok 35767
179: ok 35768
179: ok 35769
179: ok 35770
179: ok 35771
179: ok 35772
179: ok 35773
179: ok 35774
179: ok 35775
179: ok 35776
179: ok 35777
179: ok 35778
179: ok 35779
179: ok 35780
179: ok 35781
179: ok 35782
179: ok 35783
179: ok 35784
179: ok 35785
179: ok 35786
179: ok 35787
179: ok 35788
179: ok 35789
179: ok 35790
179: ok 35791
179: ok 35792
179: ok 35793
179: ok 35794
179: ok 35795
179: ok 35796
179: ok 35797
179: ok 35798
179: ok 35799
179: ok 35800
179: ok 35801
179: ok 35802
179: ok 35803
179: ok 35804
179: ok 35805
179: ok 35806
179: ok 35807
179: ok 35808
179: ok 35809
179: ok 35810
179: ok 35811
179: ok 35812
179: ok 35813
179: ok 35814
179: ok 35815
179: ok 35816
179: ok 35817
179: ok 35818
179: ok 35819
179: ok 35820
179: ok 35821
179: ok 35822
179: ok 35823
179: ok 35824
179: ok 35825
179: ok 35826
179: ok 35827
179: ok 35828
179: ok 35829
179: ok 35830
179: ok 35831
179: ok 35832
179: ok 35833
179: ok 35834
179: ok 35835
179: ok 35836
179: ok 35837
179: ok 35838
179: ok 35839
179: ok 35840
179: ok 35841
179: ok 35842
179: ok 35843
179: ok 35844
179: ok 35845
179: ok 35846
179: ok 35847
179: ok 35848
179: ok 35849
179: ok 35850
179: ok 35851
179: ok 35852
179: ok 35853
179: ok 35854
179: ok 35855
179: ok 35856
179: ok 35857
179: ok 35858
179: ok 35859
179: ok 35860
179: ok 35861
179: ok 35862
179: ok 35863
179: ok 35864
179: ok 35865
179: ok 35866
179: ok 35867
179: ok 35868
179: ok 35869
179: ok 35870
179: ok 35871
179: ok 35872
179: ok 35873
179: ok 35874
179: ok 35875
179: ok 35876
179: ok 35877
179: ok 35878
179: ok 35879
179: ok 35880
179: ok 35881
179: ok 35882
179: ok 35883
179: ok 35884
179: ok 35885
179: ok 35886
179: ok 35887
179: ok 35888
179: ok 35889
179: ok 35890
179: ok 35891
179: ok 35892
179: ok 35893
179: ok 35894
179: ok 35895
179: ok 35896
179: ok 35897
179: ok 35898
179: ok 35899
179: ok 35900
179: ok 35901
179: ok 35902
179: ok 35903
179: ok 35904
179: ok 35905
179: ok 35906
179: ok 35907
179: ok 35908
179: ok 35909
179: ok 35910
179: ok 35911
179: ok 35912
179: ok 35913
179: ok 35914
179: ok 35915
179: ok 35916
179: ok 35917
179: ok 35918
179: ok 35919
179: ok 35920
179: ok 35921
179: ok 35922
179: ok 35923
179: ok 35924
179: ok 35925
179: ok 35926
179: ok 35927
179: ok 35928
179: ok 35929
179: ok 35930
179: ok 35931
179: ok 35932
179: ok 35933
179: ok 35934
179: ok 35935
179: ok 35936
179: ok 35937
179: ok 35938
179: ok 35939
179: ok 35940
179: ok 35941
179: ok 35942
179: ok 35943
179: ok 35944
179: ok 35945
179: ok 35946
179: ok 35947
179: ok 35948
179: ok 35949
179: ok 35950
179: ok 35951
179: ok 35952
179: ok 35953
179: ok 35954
179: ok 35955
179: ok 35956
179: ok 35957
179: ok 35958
179: ok 35959
179: ok 35960
179: ok 35961
179: ok 35962
179: ok 35963
179: ok 35964
179: ok 35965
179: ok 35966
179: ok 35967
179: ok 35968
179: ok 35969
179: ok 35970
179: ok 35971
179: ok 35972
179: ok 35973
179: ok 35974
179: ok 35975
179: ok 35976
179: ok 35977
179: ok 35978
179: ok 35979
179: ok 35980
179: ok 35981
179: ok 35982
179: ok 35983
179: ok 35984
179: ok 35985
179: ok 35986
179: ok 35987
179: ok 35988
179: ok 35989
179: ok 35990
179: ok 35991
179: ok 35992
179: ok 35993
179: ok 35994
179: ok 35995
179: ok 35996
179: ok 35997
179: ok 35998
179: ok 35999
179: ok 36000
179: ok 36001
179: ok 36002
179: ok 36003
179: ok 36004
179: ok 36005
179: ok 36006
179: ok 36007
179: ok 36008
179: ok 36009
179: ok 36010
179: ok 36011
179: ok 36012
179: ok 36013
179: ok 36014
179: ok 36015
179: ok 36016
179: ok 36017
179: ok 36018
179: ok 36019
179: ok 36020
179: ok 36021
179: ok 36022
179: ok 36023
179: ok 36024
179: ok 36025
179: ok 36026
179: ok 36027
179: ok 36028
179: ok 36029
179: ok 36030
179: ok 36031
179: ok 36032
179: ok 36033
179: ok 36034
179: ok 36035
179: ok 36036
179: ok 36037
179: ok 36038
179: ok 36039
179: ok 36040
179: ok 36041
179: ok 36042
179: ok 36043
179: ok 36044
179: ok 36045
179: ok 36046
179: ok 36047
179: ok 36048
179: ok 36049
179: ok 36050
179: ok 36051
179: ok 36052
179: ok 36053
179: ok 36054
179: ok 36055
179: ok 36056
179: ok 36057
179: ok 36058
179: ok 36059
179: ok 36060
179: ok 36061
179: ok 36062
179: ok 36063
179: ok 36064
179: ok 36065
179: ok 36066
179: ok 36067
179: ok 36068
179: ok 36069
179: ok 36070
179: ok 36071
179: ok 36072
179: ok 36073
179: ok 36074
179: ok 36075
179: ok 36076
179: ok 36077
179: ok 36078
179: ok 36079
179: ok 36080
179: ok 36081
179: ok 36082
179: ok 36083
179: ok 36084
179: ok 36085
179: ok 36086
179: ok 36087
179: ok 36088
179: ok 36089
179: ok 36090
179: ok 36091
179: ok 36092
179: ok 36093
179: ok 36094
179: ok 36095
179: ok 36096
179: ok 36097
179: ok 36098
179: ok 36099
179: ok 36100
179: ok 36101
179: ok 36102
179: ok 36103
179: ok 36104
179: ok 36105
179: ok 36106
179: ok 36107
179: ok 36108
179: ok 36109
179: ok 36110
179: ok 36111
179: ok 36112
179: ok 36113
179: ok 36114
179: ok 36115
179: ok 36116
179: ok 36117
179: ok 36118
179: ok 36119
179: ok 36120
179: ok 36121
179: ok 36122
179: ok 36123
179: ok 36124
179: ok 36125
179: ok 36126
179: ok 36127
179: ok 36128
179: ok 36129
179: ok 36130
179: ok 36131
179: ok 36132
179: ok 36133
179: ok 36134
179: ok 36135
179: ok 36136
179: ok 36137
179: ok 36138
179: ok 36139
179: ok 36140
179: ok 36141
179: ok 36142
179: ok 36143
179: ok 36144
179: ok 36145
179: ok 36146
179: ok 36147
179: ok 36148
179: ok 36149
179: ok 36150
179: ok 36151
179: ok 36152
179: ok 36153
179: ok 36154
179: ok 36155
179: ok 36156
179: ok 36157
179: ok 36158
179: ok 36159
179: ok 36160
179: ok 36161
179: ok 36162
179: ok 36163
179: ok 36164
179: ok 36165
179: ok 36166
179: ok 36167
179: ok 36168
179: ok 36169
179: ok 36170
179: ok 36171
179: ok 36172
179: ok 36173
179: ok 36174
179: ok 36175
179: ok 36176
179: ok 36177
179: ok 36178
179: ok 36179
179: ok 36180
179: ok 36181
179: ok 36182
179: ok 36183
179: ok 36184
179: ok 36185
179: ok 36186
179: ok 36187
179: ok 36188
179: ok 36189
179: ok 36190
179: ok 36191
179: ok 36192
179: ok 36193
179: ok 36194
179: ok 36195
179: ok 36196
179: ok 36197
179: ok 36198
179: ok 36199
179: ok 36200
179: ok 36201
179: ok 36202
179: ok 36203
179: ok 36204
179: ok 36205
179: ok 36206
179: ok 36207
179: ok 36208
179: ok 36209
179: ok 36210
179: ok 36211
179: ok 36212
179: ok 36213
179: ok 36214
179: ok 36215
179: ok 36216
179: ok 36217
179: ok 36218
179: ok 36219
179: ok 36220
179: ok 36221
179: ok 36222
179: ok 36223
179: ok 36224
179: ok 36225
179: ok 36226
179: ok 36227
179: ok 36228
179: ok 36229
179: ok 36230
179: ok 36231
179: ok 36232
179: ok 36233
179: ok 36234
179: ok 36235
179: ok 36236
179: ok 36237
179: ok 36238
179: ok 36239
179: ok 36240
179: ok 36241
179: ok 36242
179: ok 36243
179: ok 36244
179: ok 36245
179: ok 36246
179: ok 36247
179: ok 36248
179: ok 36249
179: ok 36250
179: ok 36251
179: ok 36252
179: ok 36253
179: ok 36254
179: ok 36255
179: ok 36256
179: ok 36257
179: ok 36258
179: ok 36259
179: ok 36260
179: ok 36261
179: ok 36262
179: ok 36263
179: ok 36264
179: ok 36265
179: ok 36266
179: ok 36267
179: ok 36268
179: ok 36269
179: ok 36270
179: ok 36271
179: ok 36272
179: ok 36273
179: ok 36274
179: ok 36275
179: ok 36276
179: ok 36277
179: ok 36278
179: ok 36279
179: ok 36280
179: ok 36281
179: ok 36282
179: ok 36283
179: ok 36284
179: ok 36285
179: ok 36286
179: ok 36287
179: ok 36288
179: ok 36289
179: ok 36290
179: ok 36291
179: ok 36292
179: ok 36293
179: ok 36294
179: ok 36295
179: ok 36296
179: ok 36297
179: ok 36298
179: ok 36299
179: ok 36300
179: ok 36301
179: ok 36302
179: ok 36303
179: ok 36304
179: ok 36305
179: ok 36306
179: ok 36307
179: ok 36308
179: ok 36309
179: ok 36310
179: ok 36311
179: ok 36312
179: ok 36313
179: ok 36314
179: ok 36315
179: ok 36316
179: ok 36317
179: ok 36318
179: ok 36319
179: ok 36320
179: ok 36321
179: ok 36322
179: ok 36323
179: ok 36324
179: ok 36325
179: ok 36326
179: ok 36327
179: ok 36328
179: ok 36329
179: ok 36330
179: ok 36331
179: ok 36332
179: ok 36333
179: ok 36334
179: ok 36335
179: ok 36336
179: ok 36337
179: ok 36338
179: ok 36339
179: ok 36340
179: ok 36341
179: ok 36342
179: ok 36343
179: ok 36344
179: ok 36345
179: ok 36346
179: ok 36347
179: ok 36348
179: ok 36349
179: ok 36350
179: ok 36351
179: ok 36352
179: ok 36353
179: ok 36354
179: ok 36355
179: ok 36356
179: ok 36357
179: ok 36358
179: ok 36359
179: ok 36360
179: ok 36361
179: ok 36362
179: ok 36363
179: ok 36364
179: ok 36365
179: ok 36366
179: ok 36367
179: ok 36368
179: ok 36369
179: ok 36370
179: ok 36371
179: ok 36372
179: ok 36373
179: ok 36374
179: ok 36375
179: ok 36376
179: ok 36377
179: ok 36378
179: ok 36379
179: ok 36380
179: ok 36381
179: ok 36382
179: ok 36383
179: ok 36384
179: ok 36385
179: ok 36386
179: ok 36387
179: ok 36388
179: ok 36389
179: ok 36390
179: ok 36391
179: ok 36392
179: ok 36393
179: ok 36394
179: ok 36395
179: ok 36396
179: ok 36397
179: ok 36398
179: ok 36399
179: ok 36400
179: ok 36401
179: ok 36402
179: ok 36403
179: ok 36404
179: ok 36405
179: ok 36406
179: ok 36407
179: ok 36408
179: ok 36409
179: ok 36410
179: ok 36411
179: ok 36412
179: ok 36413
179: ok 36414
179: ok 36415
179: ok 36416
179: ok 36417
179: ok 36418
179: ok 36419
179: ok 36420
179: ok 36421
179: ok 36422
179: ok 36423
179: ok 36424
179: ok 36425
179: ok 36426
179: ok 36427
179: ok 36428
179: ok 36429
179: ok 36430
179: ok 36431
179: ok 36432
179: ok 36433
179: ok 36434
179: ok 36435
179: ok 36436
179: ok 36437
179: ok 36438
179: ok 36439
179: ok 36440
179: ok 36441
179: ok 36442
179: ok 36443
179: ok 36444
179: ok 36445
179: ok 36446
179: ok 36447
179: ok 36448
179: ok 36449
179: ok 36450
179: ok 36451
179: ok 36452
179: ok 36453
179: ok 36454
179: ok 36455
179: ok 36456
179: ok 36457
179: ok 36458
179: ok 36459
179: ok 36460
179: ok 36461
179: ok 36462
179: ok 36463
179: ok 36464
179: ok 36465
179: ok 36466
179: ok 36467
179: ok 36468
179: ok 36469
179: ok 36470
179: ok 36471
179: ok 36472
179: ok 36473
179: ok 36474
179: ok 36475
179: ok 36476
179: ok 36477
179: ok 36478
179: ok 36479
179: ok 36480
179: ok 36481
179: ok 36482
179: ok 36483
179: ok 36484
179: ok 36485
179: ok 36486
179: ok 36487
179: ok 36488
179: ok 36489
179: ok 36490
179: ok 36491
179: ok 36492
179: ok 36493
179: ok 36494
179: ok 36495
179: ok 36496
179: ok 36497
179: ok 36498
179: ok 36499
179: ok 36500
179: ok 36501
179: ok 36502
179: ok 36503
179: ok 36504
179: ok 36505
179: ok 36506
179: ok 36507
179: ok 36508
179: ok 36509
179: ok 36510
179: ok 36511
179: ok 36512
179: ok 36513
179: ok 36514
179: ok 36515
179: ok 36516
179: ok 36517
179: ok 36518
179: ok 36519
179: ok 36520
179: ok 36521
179: ok 36522
179: ok 36523
179: ok 36524
179: ok 36525
179: ok 36526
179: ok 36527
179: ok 36528
179: ok 36529
179: ok 36530
179: ok 36531
179: ok 36532
179: ok 36533
179: ok 36534
179: ok 36535
179: ok 36536
179: ok 36537
179: ok 36538
179: ok 36539
179: ok 36540
179: ok 36541
179: ok 36542
179: ok 36543
179: ok 36544
179: ok 36545
179: ok 36546
179: ok 36547
179: ok 36548
179: ok 36549
179: ok 36550
179: ok 36551
179: ok 36552
179: ok 36553
179: ok 36554
179: ok 36555
179: ok 36556
179: ok 36557
179: ok 36558
179: ok 36559
179: ok 36560
179: ok 36561
179: ok 36562
179: ok 36563
179: ok 36564
179: ok 36565
179: ok 36566
179: ok 36567
179: ok 36568
179: ok 36569
179: ok 36570
179: ok 36571
179: ok 36572
179: ok 36573
179: ok 36574
179: ok 36575
179: ok 36576
179: ok 36577
179: ok 36578
179: ok 36579
179: ok 36580
179: ok 36581
179: ok 36582
179: ok 36583
179: ok 36584
179: ok 36585
179: ok 36586
179: ok 36587
179: ok 36588
179: ok 36589
179: ok 36590
179: ok 36591
179: ok 36592
179: ok 36593
179: ok 36594
179: ok 36595
179: ok 36596
179: ok 36597
179: ok 36598
179: ok 36599
179: ok 36600
179: ok 36601
179: ok 36602
179: ok 36603
179: ok 36604
179: ok 36605
179: ok 36606
179: ok 36607
179: ok 36608
179: ok 36609
179: ok 36610
179: ok 36611
179: ok 36612
179: ok 36613
179: ok 36614
179: ok 36615
179: ok 36616
179: ok 36617
179: ok 36618
179: ok 36619
179: ok 36620
179: ok 36621
179: ok 36622
179: ok 36623
179: ok 36624
179: ok 36625
179: ok 36626
179: ok 36627
179: ok 36628
179: ok 36629
179: ok 36630
179: ok 36631
179: ok 36632
179: ok 36633
179: ok 36634
179: ok 36635
179: ok 36636
179: ok 36637
179: ok 36638
179: ok 36639
179: ok 36640
179: ok 36641
179: ok 36642
179: ok 36643
179: ok 36644
179: ok 36645
179: ok 36646
179: ok 36647
179: ok 36648
179: ok 36649
179: ok 36650
179: ok 36651
179: ok 36652
179: ok 36653
179: ok 36654
179: ok 36655
179: ok 36656
179: ok 36657
179: ok 36658
179: ok 36659
179: ok 36660
179: ok 36661
179: ok 36662
179: ok 36663
179: ok 36664
179: ok 36665
179: ok 36666
179: ok 36667
179: ok 36668
179: ok 36669
179: ok 36670
179: ok 36671
179: ok 36672
179: ok 36673
179: ok 36674
179: ok 36675
179: ok 36676
179: ok 36677
179: ok 36678
179: ok 36679
179: ok 36680
179: ok 36681
179: ok 36682
179: ok 36683
179: ok 36684
179: ok 36685
179: ok 36686
179: ok 36687
179: ok 36688
179: ok 36689
179: ok 36690
179: ok 36691
179: ok 36692
179: ok 36693
179: ok 36694
179: ok 36695
179: ok 36696
179: ok 36697
179: ok 36698
179: ok 36699
179: ok 36700
179: ok 36701
179: ok 36702
179: ok 36703
179: ok 36704
179: ok 36705
179: ok 36706
179: ok 36707
179: ok 36708
179: ok 36709
179: ok 36710
179: ok 36711
179: ok 36712
179: ok 36713
179: ok 36714
179: ok 36715
179: ok 36716
179: ok 36717
179: ok 36718
179: ok 36719
179: ok 36720
179: ok 36721
179: ok 36722
179: ok 36723
179: ok 36724
179: ok 36725
179: ok 36726
179: ok 36727
179: ok 36728
179: ok 36729
179: ok 36730
179: ok 36731
179: ok 36732
179: ok 36733
179: ok 36734
179: ok 36735
179: ok 36736
179: ok 36737
179: ok 36738
179: ok 36739
179: ok 36740
179: ok 36741
179: ok 36742
179: ok 36743
179: ok 36744
179: ok 36745
179: ok 36746
179: ok 36747
179: ok 36748
179: ok 36749
179: ok 36750
179: ok 36751
179: ok 36752
179: ok 36753
179: ok 36754
179: ok 36755
179: ok 36756
179: ok 36757
179: ok 36758
179: ok 36759
179: ok 36760
179: ok 36761
179: ok 36762
179: ok 36763
179: ok 36764
179: ok 36765
179: ok 36766
179: ok 36767
179: ok 36768
179: ok 36769
179: ok 36770
179: ok 36771
179: ok 36772
179: ok 36773
179: ok 36774
179: ok 36775
179: ok 36776
179: ok 36777
179: ok 36778
179: ok 36779
179: ok 36780
179: ok 36781
179: ok 36782
179: ok 36783
179: ok 36784
179: ok 36785
179: ok 36786
179: ok 36787
179: ok 36788
179: ok 36789
179: ok 36790
179: ok 36791
179: ok 36792
179: ok 36793
179: ok 36794
179: ok 36795
179: ok 36796
179: ok 36797
179: ok 36798
179: ok 36799
179: ok 36800
179: ok 36801
179: ok 36802
179: ok 36803
179: ok 36804
179: ok 36805
179: ok 36806
179: ok 36807
179: ok 36808
179: ok 36809
179: ok 36810
179: ok 36811
179: ok 36812
179: ok 36813
179: ok 36814
179: ok 36815
179: ok 36816
179: ok 36817
179: ok 36818
179: ok 36819
179: ok 36820
179: ok 36821
179: ok 36822
179: ok 36823
179: ok 36824
179: ok 36825
179: ok 36826
179: ok 36827
179: ok 36828
179: ok 36829
179: ok 36830
179: ok 36831
179: ok 36832
179: ok 36833
179: ok 36834
179: ok 36835
179: ok 36836
179: ok 36837
179: ok 36838
179: ok 36839
179: ok 36840
179: ok 36841
179: ok 36842
179: ok 36843
179: ok 36844
179: ok 36845
179: ok 36846
179: ok 36847
179: ok 36848
179: ok 36849
179: ok 36850
179: ok 36851
179: ok 36852
179: ok 36853
179: ok 36854
179: ok 36855
179: ok 36856
179: ok 36857
179: ok 36858
179: ok 36859
179: ok 36860
179: ok 36861
179: ok 36862
179: ok 36863
179: ok 36864
179: ok 36865
179: ok 36866
179: ok 36867
179: ok 36868
179: ok 36869
179: ok 36870
179: ok 36871
179: ok 36872
179: ok 36873
179: ok 36874
179: ok 36875
179: ok 36876
179: ok 36877
179: ok 36878
179: ok 36879
179: ok 36880
179: ok 36881
179: ok 36882
179: ok 36883
179: ok 36884
179: ok 36885
179: ok 36886
179: ok 36887
179: ok 36888
179: ok 36889
179: ok 36890
179: ok 36891
179: ok 36892
179: ok 36893
179: ok 36894
179: ok 36895
179: ok 36896
179: ok 36897
179: ok 36898
179: ok 36899
179: ok 36900
179: ok 36901
179: ok 36902
179: ok 36903
179: ok 36904
179: ok 36905
179: ok 36906
179: ok 36907
179: ok 36908
179: ok 36909
179: ok 36910
179: ok 36911
179: ok 36912
179: ok 36913
179: ok 36914
179: ok 36915
179: ok 36916
179: ok 36917
179: ok 36918
179: ok 36919
179: ok 36920
179: ok 36921
179: ok 36922
179: ok 36923
179: ok 36924
179: ok 36925
179: ok 36926
179: ok 36927
179: ok 36928
179: ok 36929
179: ok 36930
179: ok 36931
179: ok 36932
179: ok 36933
179: ok 36934
179: ok 36935
179: ok 36936
179: ok 36937
179: ok 36938
179: ok 36939
179: ok 36940
179: ok 36941
179: ok 36942
179: ok 36943
179: ok 36944
179: ok 36945
179: ok 36946
179: ok 36947
179: ok 36948
179: ok 36949
179: ok 36950
179: ok 36951
179: ok 36952
179: ok 36953
179: ok 36954
179: ok 36955
179: ok 36956
179: ok 36957
179: ok 36958
179: ok 36959
179: ok 36960
179: ok 36961
179: ok 36962
179: ok 36963
179: ok 36964
179: ok 36965
179: ok 36966
179: ok 36967
179: ok 36968
179: ok 36969
179: ok 36970
179: ok 36971
179: ok 36972
179: ok 36973
179: ok 36974
179: ok 36975
179: ok 36976
179: ok 36977
179: ok 36978
179: ok 36979
179: ok 36980
179: ok 36981
179: ok 36982
179: ok 36983
179: ok 36984
179: ok 36985
179: ok 36986
179: ok 36987
179: ok 36988
179: ok 36989
179: ok 36990
179: ok 36991
179: ok 36992
179: ok 36993
179: ok 36994
179: ok 36995
179: ok 36996
179: ok 36997
179: ok 36998
179: ok 36999
179: ok 37000
179: ok 37001
179: ok 37002
179: ok 37003
179: ok 37004
179: ok 37005
179: ok 37006
179: ok 37007
179: ok 37008
179: ok 37009
179: ok 37010
179: ok 37011
179: ok 37012
179: ok 37013
179: ok 37014
179: ok 37015
179: ok 37016
179: ok 37017
179: ok 37018
179: ok 37019
179: ok 37020
179: ok 37021
179: ok 37022
179: ok 37023
179: ok 37024
179: ok 37025
179: ok 37026
179: ok 37027
179: ok 37028
179: ok 37029
179: ok 37030
179: ok 37031
179: ok 37032
179: ok 37033
179: ok 37034
179: ok 37035
179: ok 37036
179: ok 37037
179: ok 37038
179: ok 37039
179: ok 37040
179: ok 37041
179: ok 37042
179: ok 37043
179: ok 37044
179: ok 37045
179: ok 37046
179: ok 37047
179: ok 37048
179: ok 37049
179: ok 37050
179: ok 37051
179: ok 37052
179: ok 37053
179: ok 37054
179: ok 37055
179: ok 37056
179: ok 37057
179: ok 37058
179: ok 37059
179: ok 37060
179: ok 37061
179: ok 37062
179: ok 37063
179: ok 37064
179: ok 37065
179: ok 37066
179: ok 37067
179: ok 37068
179: ok 37069
179: ok 37070
179: ok 37071
179: ok 37072
179: ok 37073
179: ok 37074
179: ok 37075
179: ok 37076
179: ok 37077
179: ok 37078
179: ok 37079
179: ok 37080
179: ok 37081
179: ok 37082
179: ok 37083
179: ok 37084
179: ok 37085
179: ok 37086
179: ok 37087
179: ok 37088
179: ok 37089
179: ok 37090
179: ok 37091
179: ok 37092
179: ok 37093
179: ok 37094
179: ok 37095
179: ok 37096
179: ok 37097
179: ok 37098
179: ok 37099
179: ok 37100
179: ok 37101
179: ok 37102
179: ok 37103
179: ok 37104
179: ok 37105
179: ok 37106
179: ok 37107
179: ok 37108
179: ok 37109
179: ok 37110
179: ok 37111
179: ok 37112
179: ok 37113
179: ok 37114
179: ok 37115
179: ok 37116
179: ok 37117
179: ok 37118
179: ok 37119
179: ok 37120
179: ok 37121
179: ok 37122
179: ok 37123
179: ok 37124
179: ok 37125
179: ok 37126
179: ok 37127
179: ok 37128
179: ok 37129
179: ok 37130
179: ok 37131
179: ok 37132
179: ok 37133
179: ok 37134
179: ok 37135
179: ok 37136
179: ok 37137
179: ok 37138
179: ok 37139
179: ok 37140
179: ok 37141
179: ok 37142
179: ok 37143
179: ok 37144
179: ok 37145
179: ok 37146
179: ok 37147
179: ok 37148
179: ok 37149
179: ok 37150
179: ok 37151
179: ok 37152
179: ok 37153
179: ok 37154
179: ok 37155
179: ok 37156
179: ok 37157
179: ok 37158
179: ok 37159
179: ok 37160
179: ok 37161
179: ok 37162
179: ok 37163
179: ok 37164
179: ok 37165
179: ok 37166
179: ok 37167
179: ok 37168
179: ok 37169
179: ok 37170
179: ok 37171
179: ok 37172
179: ok 37173
179: ok 37174
179: ok 37175
179: ok 37176
179: ok 37177
179: ok 37178
179: ok 37179
179: ok 37180
179: ok 37181
179: ok 37182
179: ok 37183
179: ok 37184
179: ok 37185
179: ok 37186
179: ok 37187
179: ok 37188
179: ok 37189
179: ok 37190
179: ok 37191
179: ok 37192
179: ok 37193
179: ok 37194
179: ok 37195
179: ok 37196
179: ok 37197
179: ok 37198
179: ok 37199
179: ok 37200
179: ok 37201
179: ok 37202
179: ok 37203
179: ok 37204
179: ok 37205
179: ok 37206
179: ok 37207
179: ok 37208
179: ok 37209
179: ok 37210
179: ok 37211
179: ok 37212
179: ok 37213
179: ok 37214
179: ok 37215
179: ok 37216
179: ok 37217
179: ok 37218
179: ok 37219
179: ok 37220
179: ok 37221
179: ok 37222
179: ok 37223
179: ok 37224
179: ok 37225
179: ok 37226
179: ok 37227
179: ok 37228
179: ok 37229
179: ok 37230
179: ok 37231
179: ok 37232
179: ok 37233
179: ok 37234
179: ok 37235
179: ok 37236
179: ok 37237
179: ok 37238
179: ok 37239
179: ok 37240
179: ok 37241
179: ok 37242
179: ok 37243
179: ok 37244
179: ok 37245
179: ok 37246
179: ok 37247
179: ok 37248
179: ok 37249
179: ok 37250
179: ok 37251
179: ok 37252
179: ok 37253
179: ok 37254
179: ok 37255
179: ok 37256
179: ok 37257
179: ok 37258
179: ok 37259
179: ok 37260
179: ok 37261
179: ok 37262
179: ok 37263
179: ok 37264
179: ok 37265
179: ok 37266
179: ok 37267
179: ok 37268
179: ok 37269
179: ok 37270
179: ok 37271
179: ok 37272
179: ok 37273
179: ok 37274
179: ok 37275
179: ok 37276
179: ok 37277
179: ok 37278
179: ok 37279
179: ok 37280
179: ok 37281
179: ok 37282
179: ok 37283
179: ok 37284
179: ok 37285
179: ok 37286
179: ok 37287
179: ok 37288
179: ok 37289
179: ok 37290
179: ok 37291
179: ok 37292
179: ok 37293
179: ok 37294
179: ok 37295
179: ok 37296
179: ok 37297
179: ok 37298
179: ok 37299
179: ok 37300
179: ok 37301
179: ok 37302
179: ok 37303
179: ok 37304
179: ok 37305
179: ok 37306
179: ok 37307
179: ok 37308
179: ok 37309
179: ok 37310
179: ok 37311
179: ok 37312
179: ok 37313
179: ok 37314
179: ok 37315
179: ok 37316
179: ok 37317
179: ok 37318
179: ok 37319
179: ok 37320
179: ok 37321
179: ok 37322
179: ok 37323
179: ok 37324
179: ok 37325
179: ok 37326
179: ok 37327
179: ok 37328
179: ok 37329
179: ok 37330
179: ok 37331
179: ok 37332
179: ok 37333
179: ok 37334
179: ok 37335
179: ok 37336
179: ok 37337
179: ok 37338
179: ok 37339
179: ok 37340
179: ok 37341
179: ok 37342
179: ok 37343
179: ok 37344
179: ok 37345
179: ok 37346
179: ok 37347
179: ok 37348
179: ok 37349
179: ok 37350
179: ok 37351
179: ok 37352
179: ok 37353
179: ok 37354
179: ok 37355
179: ok 37356
179: ok 37357
179: ok 37358
179: ok 37359
179: ok 37360
179: ok 37361
179: ok 37362
179: ok 37363
179: ok 37364
179: ok 37365
179: ok 37366
179: ok 37367
179: ok 37368
179: ok 37369
179: ok 37370
179: ok 37371
179: ok 37372
179: ok 37373
179: ok 37374
179: ok 37375
179: ok 37376
179: ok 37377
179: ok 37378
179: ok 37379
179: ok 37380
179: ok 37381
179: ok 37382
179: ok 37383
179: ok 37384
179: ok 37385
179: ok 37386
179: ok 37387
179: ok 37388
179: ok 37389
179: ok 37390
179: ok 37391
179: ok 37392
179: ok 37393
179: ok 37394
179: ok 37395
179: ok 37396
179: ok 37397
179: ok 37398
179: ok 37399
179: ok 37400
179: ok 37401
179: ok 37402
179: ok 37403
179: ok 37404
179: ok 37405
179: ok 37406
179: ok 37407
179: ok 37408
179: ok 37409
179: ok 37410
179: ok 37411
179: ok 37412
179: ok 37413
179: ok 37414
179: ok 37415
179: ok 37416
179: ok 37417
179: ok 37418
179: ok 37419
179: ok 37420
179: ok 37421
179: ok 37422
179: ok 37423
179: ok 37424
179: ok 37425
179: ok 37426
179: ok 37427
179: ok 37428
179: ok 37429
179: ok 37430
179: ok 37431
179: ok 37432
179: ok 37433
179: ok 37434
179: ok 37435
179: ok 37436
179: ok 37437
179: ok 37438
179: ok 37439
179: ok 37440
179: ok 37441
179: ok 37442
179: ok 37443
179: ok 37444
179: ok 37445
179: ok 37446
179: ok 37447
179: ok 37448
179: ok 37449
179: ok 37450
179: ok 37451
179: ok 37452
179: ok 37453
179: ok 37454
179: ok 37455
179: ok 37456
179: ok 37457
179: ok 37458
179: ok 37459
179: ok 37460
179: ok 37461
179: ok 37462
179: ok 37463
179: ok 37464
179: ok 37465
179: ok 37466
179: ok 37467
179: ok 37468
179: ok 37469
179: ok 37470
179: ok 37471
179: ok 37472
179: ok 37473
179: ok 37474
179: ok 37475
179: ok 37476
179: ok 37477
179: ok 37478
179: ok 37479
179: ok 37480
179: ok 37481
179: ok 37482
179: ok 37483
179: ok 37484
179: ok 37485
179: ok 37486
179: ok 37487
179: ok 37488
179: ok 37489
179: ok 37490
179: ok 37491
179: ok 37492
179: ok 37493
179: ok 37494
179: ok 37495
179: ok 37496
179: ok 37497
179: ok 37498
179: ok 37499
179: ok 37500
179: ok 37501
179: ok 37502
179: ok 37503
179: ok 37504
179: ok 37505
179: ok 37506
179: ok 37507
179: ok 37508
179: ok 37509
179: ok 37510
179: ok 37511
179: ok 37512
179: ok 37513
179: ok 37514
179: ok 37515
179: ok 37516
179: ok 37517
179: ok 37518
179: ok 37519
179: ok 37520
179: ok 37521
179: ok 37522
179: ok 37523
179: ok 37524
179: ok 37525
179: ok 37526
179: ok 37527
179: ok 37528
179: ok 37529
179: ok 37530
179: ok 37531
179: ok 37532
179: ok 37533
179: ok 37534
179: ok 37535
179: ok 37536
179: ok 37537
179: ok 37538
179: ok 37539
179: ok 37540
179: ok 37541
179: ok 37542
179: ok 37543
179: ok 37544
179: ok 37545
179: ok 37546
179: ok 37547
179: ok 37548
179: ok 37549
179: ok 37550
179: ok 37551
179: ok 37552
179: ok 37553
179: ok 37554
179: ok 37555
179: ok 37556
179: ok 37557
179: ok 37558
179: ok 37559
179: ok 37560
179: ok 37561
179: ok 37562
179: ok 37563
179: ok 37564
179: ok 37565
179: ok 37566
179: ok 37567
179: ok 37568
179: ok 37569
179: ok 37570
179: ok 37571
179: ok 37572
179: ok 37573
179: ok 37574
179: ok 37575
179: ok 37576
179: ok 37577
179: ok 37578
179: ok 37579
179: ok 37580
179: ok 37581
179: ok 37582
179: ok 37583
179: ok 37584
179: ok 37585
179: ok 37586
179: ok 37587
179: ok 37588
179: ok 37589
179: ok 37590
179: ok 37591
179: ok 37592
179: ok 37593
179: ok 37594
179: ok 37595
179: ok 37596
179: ok 37597
179: ok 37598
179: ok 37599
179: ok 37600
179: ok 37601
179: ok 37602
179: ok 37603
179: ok 37604
179: ok 37605
179: ok 37606
179: ok 37607
179: ok 37608
179: ok 37609
179: ok 37610
179: ok 37611
179: ok 37612
179: ok 37613
179: ok 37614
179: ok 37615
179: ok 37616
179: ok 37617
179: ok 37618
179: ok 37619
179: ok 37620
179: ok 37621
179: ok 37622
179: ok 37623
179: ok 37624
179: ok 37625
179: ok 37626
179: ok 37627
179: ok 37628
179: ok 37629
179: ok 37630
179: ok 37631
179: ok 37632
179: ok 37633
179: ok 37634
179: ok 37635
179: ok 37636
179: ok 37637
179: ok 37638
179: ok 37639
179: ok 37640
179: ok 37641
179: ok 37642
179: ok 37643
179: ok 37644
179: ok 37645
179: ok 37646
179: ok 37647
179: ok 37648
179: ok 37649
179: ok 37650
179: ok 37651
179: ok 37652
179: ok 37653
179: ok 37654
179: ok 37655
179: ok 37656
179: ok 37657
179: ok 37658
179: ok 37659
179: ok 37660
179: ok 37661
179: ok 37662
179: ok 37663
179: ok 37664
179: ok 37665
179: ok 37666
179: ok 37667
179: ok 37668
179: ok 37669
179: ok 37670
179: ok 37671
179: ok 37672
179: ok 37673
179: ok 37674
179: ok 37675
179: ok 37676
179: ok 37677
179: ok 37678
179: ok 37679
179: ok 37680
179: ok 37681
179: ok 37682
179: ok 37683
179: ok 37684
179: ok 37685
179: ok 37686
179: ok 37687
179: ok 37688
179: ok 37689
179: ok 37690
179: ok 37691
179: ok 37692
179: ok 37693
179: ok 37694
179: ok 37695
179: ok 37696
179: ok 37697
179: ok 37698
179: ok 37699
179: ok 37700
179: ok 37701
179: ok 37702
179: ok 37703
179: ok 37704
179: ok 37705
179: ok 37706
179: ok 37707
179: ok 37708
179: ok 37709
179: ok 37710
179: ok 37711
179: ok 37712
179: ok 37713
179: ok 37714
179: ok 37715
179: ok 37716
179: ok 37717
179: ok 37718
179: ok 37719
179: ok 37720
179: ok 37721
179: ok 37722
179: ok 37723
179: ok 37724
179: ok 37725
179: ok 37726
179: ok 37727
179: ok 37728
179: ok 37729
179: ok 37730
179: ok 37731
179: ok 37732
179: ok 37733
179: ok 37734
179: ok 37735
179: ok 37736
179: ok 37737
179: ok 37738
179: ok 37739
179: ok 37740
179: ok 37741
179: ok 37742
179: ok 37743
179: ok 37744
179: ok 37745
179: ok 37746
179: ok 37747
179: ok 37748
179: ok 37749
179: ok 37750
179: ok 37751
179: ok 37752
179: ok 37753
179: ok 37754
179: ok 37755
179: ok 37756
179: ok 37757
179: ok 37758
179: ok 37759
179: ok 37760
179: ok 37761
179: ok 37762
179: ok 37763
179: ok 37764
179: ok 37765
179: ok 37766
179: ok 37767
179: ok 37768
179: ok 37769
179: ok 37770
179: ok 37771
179: ok 37772
179: ok 37773
179: ok 37774
179: ok 37775
179: ok 37776
179: ok 37777
179: ok 37778
179: ok 37779
179: ok 37780
179: ok 37781
179: ok 37782
179: ok 37783
179: ok 37784
179: ok 37785
179: ok 37786
179: ok 37787
179: ok 37788
179: ok 37789
179: ok 37790
179: ok 37791
179: ok 37792
179: ok 37793
179: ok 37794
179: ok 37795
179: ok 37796
179: ok 37797
179: ok 37798
179: ok 37799
179: ok 37800
179: ok 37801
179: ok 37802
179: ok 37803
179: ok 37804
179: ok 37805
179: ok 37806
179: ok 37807
179: ok 37808
179: ok 37809
179: ok 37810
179: ok 37811
179: ok 37812
179: ok 37813
179: ok 37814
179: ok 37815
179: ok 37816
179: ok 37817
179: ok 37818
179: ok 37819
179: ok 37820
179: ok 37821
179: ok 37822
179: ok 37823
179: ok 37824
179: ok 37825
179: ok 37826
179: ok 37827
179: ok 37828
179: ok 37829
179: ok 37830
179: ok 37831
179: ok 37832
179: ok 37833
179: ok 37834
179: ok 37835
179: ok 37836
179: ok 37837
179: ok 37838
179: ok 37839
179: ok 37840
179: ok 37841
179: ok 37842
179: ok 37843
179: ok 37844
179: ok 37845
179: ok 37846
179: ok 37847
179: ok 37848
179: ok 37849
179: ok 37850
179: ok 37851
179: ok 37852
179: ok 37853
179: ok 37854
179: ok 37855
179: ok 37856
179: ok 37857
179: ok 37858
179: ok 37859
179: ok 37860
179: ok 37861
179: ok 37862
179: ok 37863
179: ok 37864
179: ok 37865
179: ok 37866
179: ok 37867
179: ok 37868
179: ok 37869
179: ok 37870
179: ok 37871
179: ok 37872
179: ok 37873
179: ok 37874
179: ok 37875
179: ok 37876
179: ok 37877
179: ok 37878
179: ok 37879
179: ok 37880
179: ok 37881
179: ok 37882
179: ok 37883
179: ok 37884
179: ok 37885
179: ok 37886
179: ok 37887
179: ok 37888
179: ok 37889
179: ok 37890
179: ok 37891
179: ok 37892
179: ok 37893
179: ok 37894
179: ok 37895
179: ok 37896
179: ok 37897
179: ok 37898
179: ok 37899
179: ok 37900
179: ok 37901
179: ok 37902
179: ok 37903
179: ok 37904
179: ok 37905
179: ok 37906
179: ok 37907
179: ok 37908
179: ok 37909
179: ok 37910
179: ok 37911
179: ok 37912
179: ok 37913
179: ok 37914
179: ok 37915
179: ok 37916
179: ok 37917
179: ok 37918
179: ok 37919
179: ok 37920
179: ok 37921
179: ok 37922
179: ok 37923
179: ok 37924
179: ok 37925
179: ok 37926
179: ok 37927
179: ok 37928
179: ok 37929
179: ok 37930
179: ok 37931
179: ok 37932
179: ok 37933
179: ok 37934
179: ok 37935
179: ok 37936
179: ok 37937
179: ok 37938
179: ok 37939
179: ok 37940
179: ok 37941
179: ok 37942
179: ok 37943
179: ok 37944
179: ok 37945
179: ok 37946
179: ok 37947
179: ok 37948
179: ok 37949
179: ok 37950
179: ok 37951
179: ok 37952
179: ok 37953
179: ok 37954
179: ok 37955
179: ok 37956
179: ok 37957
179: ok 37958
179: ok 37959
179: ok 37960
179: ok 37961
179: ok 37962
179: ok 37963
179: ok 37964
179: ok 37965
179: ok 37966
179: ok 37967
179: ok 37968
179: ok 37969
179: ok 37970
179: ok 37971
179: ok 37972
179: ok 37973
179: ok 37974
179: ok 37975
179: ok 37976
179: ok 37977
179: ok 37978
179: ok 37979
179: ok 37980
179: ok 37981
179: ok 37982
179: ok 37983
179: ok 37984
179: ok 37985
179: ok 37986
179: ok 37987
179: ok 37988
179: ok 37989
179: ok 37990
179: ok 37991
179: ok 37992
179: ok 37993
179: ok 37994
179: ok 37995
179: ok 37996
179: ok 37997
179: ok 37998
179: ok 37999
179: ok 38000
179: ok 38001
179: ok 38002
179: ok 38003
179: ok 38004
179: ok 38005
179: ok 38006
179: ok 38007
179: ok 38008
179: ok 38009
179: ok 38010
179: ok 38011
179: ok 38012
179: ok 38013
179: ok 38014
179: ok 38015
179: ok 38016
179: ok 38017
179: ok 38018
179: ok 38019
179: ok 38020
179: ok 38021
179: ok 38022
179: ok 38023
179: ok 38024
179: ok 38025
179: ok 38026
179: ok 38027
179: ok 38028
179: ok 38029
179: ok 38030
179: ok 38031
179: ok 38032
179: ok 38033
179: ok 38034
179: ok 38035
179: ok 38036
179: ok 38037
179: ok 38038
179: ok 38039
179: ok 38040
179: ok 38041
179: ok 38042
179: ok 38043
179: ok 38044
179: ok 38045
179: ok 38046
179: ok 38047
179: ok 38048
179: ok 38049
179: ok 38050
179: ok 38051
179: ok 38052
179: ok 38053
179: ok 38054
179: ok 38055
179: ok 38056
179: ok 38057
179: ok 38058
179: ok 38059
179: ok 38060
179: ok 38061
179: ok 38062
179: ok 38063
179: ok 38064
179: ok 38065
179: ok 38066
179: ok 38067
179: ok 38068
179: ok 38069
179: ok 38070
179: ok 38071
179: ok 38072
179: ok 38073
179: ok 38074
179: ok 38075
179: ok 38076
179: ok 38077
179: ok 38078
179: ok 38079
179: ok 38080
179: ok 38081
179: ok 38082
179: ok 38083
179: ok 38084
179: ok 38085
179: ok 38086
179: ok 38087
179: ok 38088
179: ok 38089
179: ok 38090
179: ok 38091
179: ok 38092
179: ok 38093
179: ok 38094
179: ok 38095
179: ok 38096
179: ok 38097
179: ok 38098
179: ok 38099
179: ok 38100
179: ok 38101
179: ok 38102
179: ok 38103
179: ok 38104
179: ok 38105
179: ok 38106
179: ok 38107
179: ok 38108
179: ok 38109
179: ok 38110
179: ok 38111
179: ok 38112
179: ok 38113
179: ok 38114
179: ok 38115
179: ok 38116
179: ok 38117
179: ok 38118
179: ok 38119
179: ok 38120
179: ok 38121
179: ok 38122
179: ok 38123
179: ok 38124
179: ok 38125
179: ok 38126
179: ok 38127
179: ok 38128
179: ok 38129
179: ok 38130
179: ok 38131
179: ok 38132
179: ok 38133
179: ok 38134
179: ok 38135
179: ok 38136
179: ok 38137
179: ok 38138
179: ok 38139
179: ok 38140
179: ok 38141
179: ok 38142
179: ok 38143
179: ok 38144
179: ok 38145
179: ok 38146
179: ok 38147
179: ok 38148
179: ok 38149
179: ok 38150
179: ok 38151
179: ok 38152
179: ok 38153
179: ok 38154
179: ok 38155
179: ok 38156
179: ok 38157
179: ok 38158
179: ok 38159
179: ok 38160
179: ok 38161
179: ok 38162
179: ok 38163
179: ok 38164
179: ok 38165
179: ok 38166
179: ok 38167
179: ok 38168
179: ok 38169
179: ok 38170
179: ok 38171
179: ok 38172
179: ok 38173
179: ok 38174
179: ok 38175
179: ok 38176
179: ok 38177
179: ok 38178
179: ok 38179
179: ok 38180
179: ok 38181
179: ok 38182
179: ok 38183
179: ok 38184
179: ok 38185
179: ok 38186
179: ok 38187
179: ok 38188
179: ok 38189
179: ok 38190
179: ok 38191
179: ok 38192
179: ok 38193
179: ok 38194
179: ok 38195
179: ok 38196
179: ok 38197
179: ok 38198
179: ok 38199
179: ok 38200
179: ok 38201
179: ok 38202
179: ok 38203
179: ok 38204
179: ok 38205
179: ok 38206
179: ok 38207
179: ok 38208
179: ok 38209
179: ok 38210
179: ok 38211
179: ok 38212
179: ok 38213
179: ok 38214
179: ok 38215
179: ok 38216
179: ok 38217
179: ok 38218
179: ok 38219
179: ok 38220
179: ok 38221
179: ok 38222
179: ok 38223
179: ok 38224
179: ok 38225
179: ok 38226
179: ok 38227
179: ok 38228
179: ok 38229
179: ok 38230
179: ok 38231
179: ok 38232
179: ok 38233
179: ok 38234
179: ok 38235
179: ok 38236
179: ok 38237
179: ok 38238
179: ok 38239
179: ok 38240
179: ok 38241
179: ok 38242
179: ok 38243
179: ok 38244
179: ok 38245
179: ok 38246
179: ok 38247
179: ok 38248
179: ok 38249
179: ok 38250
179: ok 38251
179: ok 38252
179: ok 38253
179: ok 38254
179: ok 38255
179: ok 38256
179: ok 38257
179: ok 38258
179: ok 38259
179: ok 38260
179: ok 38261
179: ok 38262
179: ok 38263
179: ok 38264
179: ok 38265
179: ok 38266
179: ok 38267
179: ok 38268
179: ok 38269
179: ok 38270
179: ok 38271
179: ok 38272
179: ok 38273
179: ok 38274
179: ok 38275
179: ok 38276
179: ok 38277
179: ok 38278
179: ok 38279
179: ok 38280
179: ok 38281
179: ok 38282
179: ok 38283
179: ok 38284
179: ok 38285
179: ok 38286
179: ok 38287
179: ok 38288
179: ok 38289
179: ok 38290
179: ok 38291
179: ok 38292
179: ok 38293
179: ok 38294
179: ok 38295
179: ok 38296
179: ok 38297
179: ok 38298
179: ok 38299
179: ok 38300
179: ok 38301
179: ok 38302
179: ok 38303
179: ok 38304
179: ok 38305
179: ok 38306
179: ok 38307
179: ok 38308
179: ok 38309
179: ok 38310
179: ok 38311
179: ok 38312
179: ok 38313
179: ok 38314
179: ok 38315
179: ok 38316
179: ok 38317
179: ok 38318
179: ok 38319
179: ok 38320
179: ok 38321
179: ok 38322
179: ok 38323
179: ok 38324
179: ok 38325
179: ok 38326
179: ok 38327
179: ok 38328
179: ok 38329
179: ok 38330
179: ok 38331
179: ok 38332
179: ok 38333
179: ok 38334
179: ok 38335
179: ok 38336
179: ok 38337
179: ok 38338
179: ok 38339
179: ok 38340
179: ok 38341
179: ok 38342
179: ok 38343
179: ok 38344
179: ok 38345
179: ok 38346
179: ok 38347
179: ok 38348
179: ok 38349
179: ok 38350
179: ok 38351
179: ok 38352
179: ok 38353
179: ok 38354
179: ok 38355
179: ok 38356
179: ok 38357
179: ok 38358
179: ok 38359
179: ok 38360
179: ok 38361
179: ok 38362
179: ok 38363
179: ok 38364
179: ok 38365
179: ok 38366
179: ok 38367
179: ok 38368
179: ok 38369
179: ok 38370
179: ok 38371
179: ok 38372
179: ok 38373
179: ok 38374
179: ok 38375
179: ok 38376
179: ok 38377
179: ok 38378
179: ok 38379
179: ok 38380
179: ok 38381
179: ok 38382
179: ok 38383
179: ok 38384
179: ok 38385
179: ok 38386
179: ok 38387
179: ok 38388
179: ok 38389
179: ok 38390
179: ok 38391
179: ok 38392
179: ok 38393
179: ok 38394
179: ok 38395
179: ok 38396
179: ok 38397
179: ok 38398
179: ok 38399
179: ok 38400
179: ok 38401
179: ok 38402
179: ok 38403
179: ok 38404
179: ok 38405
179: ok 38406
179: ok 38407
179: ok 38408
179: ok 38409
179: ok 38410
179: ok 38411
179: ok 38412
179: ok 38413
179: ok 38414
179: ok 38415
179: ok 38416
179: ok 38417
179: ok 38418
179: ok 38419
179: ok 38420
179: ok 38421
179: ok 38422
179: ok 38423
179: ok 38424
179: ok 38425
179: ok 38426
179: ok 38427
179: ok 38428
179: ok 38429
179: ok 38430
179: ok 38431
179: ok 38432
179: ok 38433
179: ok 38434
179: ok 38435
179: ok 38436
179: ok 38437
179: ok 38438
179: ok 38439
179: ok 38440
179: ok 38441
179: ok 38442
179: ok 38443
179: ok 38444
179: ok 38445
179: ok 38446
179: ok 38447
179: ok 38448
179: ok 38449
179: ok 38450
179: ok 38451
179: ok 38452
179: ok 38453
179: ok 38454
179: ok 38455
179: ok 38456
179: ok 38457
179: ok 38458
179: ok 38459
179: ok 38460
179: ok 38461
179: ok 38462
179: ok 38463
179: ok 38464
179: ok 38465
179: ok 38466
179: ok 38467
179: ok 38468
179: ok 38469
179: ok 38470
179: ok 38471
179: ok 38472
179: ok 38473
179: ok 38474
179: ok 38475
179: ok 38476
179: ok 38477
179: ok 38478
179: ok 38479
179: ok 38480
179: ok 38481
179: ok 38482
179: ok 38483
179: ok 38484
179: ok 38485
179: ok 38486
179: ok 38487
179: ok 38488
179: ok 38489
179: ok 38490
179: ok 38491
179: ok 38492
179: ok 38493
179: ok 38494
179: ok 38495
179: ok 38496
179: ok 38497
179: ok 38498
179: ok 38499
179: ok 38500
179: ok 38501
179: ok 38502
179: ok 38503
179: ok 38504
179: ok 38505
179: ok 38506
179: ok 38507
179: ok 38508
179: ok 38509
179: ok 38510
179: ok 38511
179: ok 38512
179: ok 38513
179: ok 38514
179: ok 38515
179: ok 38516
179: ok 38517
179: ok 38518
179: ok 38519
179: ok 38520
179: ok 38521
179: ok 38522
179: ok 38523
179: ok 38524
179: ok 38525
179: ok 38526
179: ok 38527
179: ok 38528
179: ok 38529
179: ok 38530
179: ok 38531
179: ok 38532
179: ok 38533
179: ok 38534
179: ok 38535
179: ok 38536
179: ok 38537
179: ok 38538
179: ok 38539
179: ok 38540
179: ok 38541
179: ok 38542
179: ok 38543
179: ok 38544
179: ok 38545
179: ok 38546
179: ok 38547
179: ok 38548
179: ok 38549
179: ok 38550
179: ok 38551
179: ok 38552
179: ok 38553
179: ok 38554
179: ok 38555
179: ok 38556
179: ok 38557
179: ok 38558
179: ok 38559
179: ok 38560
179: ok 38561
179: ok 38562
179: ok 38563
179: ok 38564
179: ok 38565
179: ok 38566
179: ok 38567
179: ok 38568
179: ok 38569
179: ok 38570
179: ok 38571
179: ok 38572
179: ok 38573
179: ok 38574
179: ok 38575
179: ok 38576
179: ok 38577
179: ok 38578
179: ok 38579
179: ok 38580
179: ok 38581
179: ok 38582
179: ok 38583
179: ok 38584
179: ok 38585
179: ok 38586
179: ok 38587
179: ok 38588
179: ok 38589
179: ok 38590
179: ok 38591
179: ok 38592
179: ok 38593
179: ok 38594
179: ok 38595
179: ok 38596
179: ok 38597
179: ok 38598
179: ok 38599
179: ok 38600
179: ok 38601
179: ok 38602
179: ok 38603
179: ok 38604
179: ok 38605
179: ok 38606
179: ok 38607
179: ok 38608
179: ok 38609
179: ok 38610
179: ok 38611
179: ok 38612
179: ok 38613
179: ok 38614
179: ok 38615
179: ok 38616
179: ok 38617
179: ok 38618
179: ok 38619
179: ok 38620
179: ok 38621
179: ok 38622
179: ok 38623
179: ok 38624
179: ok 38625
179: ok 38626
179: ok 38627
179: ok 38628
179: ok 38629
179: ok 38630
179: ok 38631
179: ok 38632
179: ok 38633
179: ok 38634
179: ok 38635
179: ok 38636
179: ok 38637
179: ok 38638
179: ok 38639
179: ok 38640
179: ok 38641
179: ok 38642
179: ok 38643
179: ok 38644
179: ok 38645
179: ok 38646
179: ok 38647
179: ok 38648
179: ok 38649
179: ok 38650
179: ok 38651
179: ok 38652
179: ok 38653
179: ok 38654
179: ok 38655
179: ok 38656
179: ok 38657
179: ok 38658
179: ok 38659
179: ok 38660
179: ok 38661
179: ok 38662
179: ok 38663
179: ok 38664
179: ok 38665
179: ok 38666
179: ok 38667
179: ok 38668
179: ok 38669
179: ok 38670
179: ok 38671
179: ok 38672
179: ok 38673
179: ok 38674
179: ok 38675
179: ok 38676
179: ok 38677
179: ok 38678
179: ok 38679
179: ok 38680
179: ok 38681
179: ok 38682
179: ok 38683
179: ok 38684
179: ok 38685
179: ok 38686
179: ok 38687
179: ok 38688
179: ok 38689
179: ok 38690
179: ok 38691
179: ok 38692
179: ok 38693
179: ok 38694
179: ok 38695
179: ok 38696
179: ok 38697
179: ok 38698
179: ok 38699
179: ok 38700
179: ok 38701
179: ok 38702
179: ok 38703
179: ok 38704
179: ok 38705
179: ok 38706
179: ok 38707
179: ok 38708
179: ok 38709
179: ok 38710
179: ok 38711
179: ok 38712
179: ok 38713
179: ok 38714
179: ok 38715
179: ok 38716
179: ok 38717
179: ok 38718
179: ok 38719
179: ok 38720
179: ok 38721
179: ok 38722
179: ok 38723
179: ok 38724
179: ok 38725
179: ok 38726
179: ok 38727
179: ok 38728
179: ok 38729
179: ok 38730
179: ok 38731
179: ok 38732
179: ok 38733
179: ok 38734
179: ok 38735
179: ok 38736
179: ok 38737
179: ok 38738
179: ok 38739
179: ok 38740
179: ok 38741
179: ok 38742
179: ok 38743
179: ok 38744
179: ok 38745
179: ok 38746
179: ok 38747
179: ok 38748
179: ok 38749
179: ok 38750
179: ok 38751
179: ok 38752
179: ok 38753
179: ok 38754
179: ok 38755
179: ok 38756
179: ok 38757
179: ok 38758
179: ok 38759
179: ok 38760
179: ok 38761
179: ok 38762
179: ok 38763
179: ok 38764
179: ok 38765
179: ok 38766
179: ok 38767
179: ok 38768
179: ok 38769
179: ok 38770
179: ok 38771
179: ok 38772
179: ok 38773
179: ok 38774
179: ok 38775
179: ok 38776
179: ok 38777
179: ok 38778
179: ok 38779
179: ok 38780
179: ok 38781
179: ok 38782
179: ok 38783
179: ok 38784
179: ok 38785
179: ok 38786
179: ok 38787
179: ok 38788
179: ok 38789
179: ok 38790
179: ok 38791
179: ok 38792
179: ok 38793
179: ok 38794
179: ok 38795
179: ok 38796
179: ok 38797
179: ok 38798
179: ok 38799
179: ok 38800
179: ok 38801
179: ok 38802
179: ok 38803
179: ok 38804
179: ok 38805
179: ok 38806
179: ok 38807
179: ok 38808
179: ok 38809
179: ok 38810
179: ok 38811
179: ok 38812
179: ok 38813
179: ok 38814
179: ok 38815
179: ok 38816
179: ok 38817
179: ok 38818
179: ok 38819
179: ok 38820
179: ok 38821
179: ok 38822
179: ok 38823
179: ok 38824
179: ok 38825
179: ok 38826
179: ok 38827
179: ok 38828
179: ok 38829
179: ok 38830
179: ok 38831
179: ok 38832
179: ok 38833
179: ok 38834
179: ok 38835
179: ok 38836
179: ok 38837
179: ok 38838
179: ok 38839
179: ok 38840
179: ok 38841
179: ok 38842
179: ok 38843
179: ok 38844
179: ok 38845
179: ok 38846
179: ok 38847
179: ok 38848
179: ok 38849
179: ok 38850
179: ok 38851
179: ok 38852
179: ok 38853
179: ok 38854
179: ok 38855
179: ok 38856
179: ok 38857
179: ok 38858
179: ok 38859
179: ok 38860
179: ok 38861
179: ok 38862
179: ok 38863
179: ok 38864
179: ok 38865
179: ok 38866
179: ok 38867
179: ok 38868
179: ok 38869
179: ok 38870
179: ok 38871
179: ok 38872
179: ok 38873
179: ok 38874
179: ok 38875
179: ok 38876
179: ok 38877
179: ok 38878
179: ok 38879
179: ok 38880
179: ok 38881
179: ok 38882
179: ok 38883
179: ok 38884
179: ok 38885
179: ok 38886
179: ok 38887
179: ok 38888
179: ok 38889
179: ok 38890
179: ok 38891
179: ok 38892
179: ok 38893
179: ok 38894
179: ok 38895
179: ok 38896
179: ok 38897
179: ok 38898
179: ok 38899
179: ok 38900
179: ok 38901
179: ok 38902
179: ok 38903
179: ok 38904
179: ok 38905
179: ok 38906
179: ok 38907
179: ok 38908
179: ok 38909
179: ok 38910
179: ok 38911
179: ok 38912
179: ok 38913
179: ok 38914
179: ok 38915
179: ok 38916
179: ok 38917
179: ok 38918
179: ok 38919
179: ok 38920
179: ok 38921
179: ok 38922
179: ok 38923
179: ok 38924
179: ok 38925
179: ok 38926
179: ok 38927
179: ok 38928
179: ok 38929
179: ok 38930
179: ok 38931
179: ok 38932
179: ok 38933
179: ok 38934
179: ok 38935
179: ok 38936
179: ok 38937
179: ok 38938
179: ok 38939
179: ok 38940
179: ok 38941
179: ok 38942
179: ok 38943
179: ok 38944
179: ok 38945
179: ok 38946
179: ok 38947
179: ok 38948
179: ok 38949
179: ok 38950
179: ok 38951
179: ok 38952
179: ok 38953
179: ok 38954
179: ok 38955
179: ok 38956
179: ok 38957
179: ok 38958
179: ok 38959
179: ok 38960
179: ok 38961
179: ok 38962
179: ok 38963
179: ok 38964
179: ok 38965
179: ok 38966
179: ok 38967
179: ok 38968
179: ok 38969
179: ok 38970
179: ok 38971
179: ok 38972
179: ok 38973
179: ok 38974
179: ok 38975
179: ok 38976
179: ok 38977
179: ok 38978
179: ok 38979
179: ok 38980
179: ok 38981
179: ok 38982
179: ok 38983
179: ok 38984
179: ok 38985
179: ok 38986
179: ok 38987
179: ok 38988
179: ok 38989
179: ok 38990
179: ok 38991
179: ok 38992
179: ok 38993
179: ok 38994
179: ok 38995
179: ok 38996
179: ok 38997
179: ok 38998
179: ok 38999
179: ok 39000
179: ok 39001
179: ok 39002
179: ok 39003
179: ok 39004
179: ok 39005
179: ok 39006
179: ok 39007
179: ok 39008
179: ok 39009
179: ok 39010
179: ok 39011
179: ok 39012
179: ok 39013
179: ok 39014
179: ok 39015
179: ok 39016
179: ok 39017
179: ok 39018
179: ok 39019
179: ok 39020
179: ok 39021
179: ok 39022
179: ok 39023
179: ok 39024
179: ok 39025
179: ok 39026
179: ok 39027
179: ok 39028
179: ok 39029
179: ok 39030
179: ok 39031
179: ok 39032
179: ok 39033
179: ok 39034
179: ok 39035
179: ok 39036
179: ok 39037
179: ok 39038
179: ok 39039
179: ok 39040
179: ok 39041
179: ok 39042
179: ok 39043
179: ok 39044
179: ok 39045
179: ok 39046
179: ok 39047
179: ok 39048
179: ok 39049
179: ok 39050
179: ok 39051
179: ok 39052
179: ok 39053
179: ok 39054
179: ok 39055
179: ok 39056
179: ok 39057
179: ok 39058
179: ok 39059
179: ok 39060
179: ok 39061
179: ok 39062
179: ok 39063
179: ok 39064
179: ok 39065
179: ok 39066
179: ok 39067
179: ok 39068
179: ok 39069
179: ok 39070
179: ok 39071
179: ok 39072
179: ok 39073
179: ok 39074
179: ok 39075
179: ok 39076
179: ok 39077
179: ok 39078
179: ok 39079
179: ok 39080
179: ok 39081
179: ok 39082
179: ok 39083
179: ok 39084
179: ok 39085
179: ok 39086
179: ok 39087
179: ok 39088
179: ok 39089
179: ok 39090
179: ok 39091
179: ok 39092
179: ok 39093
179: ok 39094
179: ok 39095
179: ok 39096
179: ok 39097
179: ok 39098
179: ok 39099
179: ok 39100
179: ok 39101
179: ok 39102
179: ok 39103
179: ok 39104
179: ok 39105
179: ok 39106
179: ok 39107
179: ok 39108
179: ok 39109
179: ok 39110
179: ok 39111
179: ok 39112
179: ok 39113
179: ok 39114
179: ok 39115
179: ok 39116
179: ok 39117
179: ok 39118
179: ok 39119
179: ok 39120
179: ok 39121
179: ok 39122
179: ok 39123
179: ok 39124
179: ok 39125
179: ok 39126
179: ok 39127
179: ok 39128
179: ok 39129
179: ok 39130
179: ok 39131
179: ok 39132
179: ok 39133
179: ok 39134
179: ok 39135
179: ok 39136
179: ok 39137
179: ok 39138
179: ok 39139
179: ok 39140
179: ok 39141
179: ok 39142
179: ok 39143
179: ok 39144
179: ok 39145
179: ok 39146
179: ok 39147
179: ok 39148
179: ok 39149
179: ok 39150
179: ok 39151
179: ok 39152
179: ok 39153
179: ok 39154
179: ok 39155
179: ok 39156
179: ok 39157
179: ok 39158
179: ok 39159
179: ok 39160
179: ok 39161
179: ok 39162
179: ok 39163
179: ok 39164
179: ok 39165
179: ok 39166
179: ok 39167
179: ok 39168
179: ok 39169
179: ok 39170
179: ok 39171
179: ok 39172
179: ok 39173
179: ok 39174
179: ok 39175
179: ok 39176
179: ok 39177
179: ok 39178
179: ok 39179
179: ok 39180
179: ok 39181
179: ok 39182
179: ok 39183
179: ok 39184
179: ok 39185
179: ok 39186
179: ok 39187
179: ok 39188
179: ok 39189
179: ok 39190
179: ok 39191
179: ok 39192
179: ok 39193
179: ok 39194
179: ok 39195
179: ok 39196
179: ok 39197
179: ok 39198
179: ok 39199
179: ok 39200
179: ok 39201
179: ok 39202
179: ok 39203
179: ok 39204
179: ok 39205
179: ok 39206
179: ok 39207
179: ok 39208
179: ok 39209
179: ok 39210
179: ok 39211
179: ok 39212
179: ok 39213
179: ok 39214
179: ok 39215
179: ok 39216
179: ok 39217
179: ok 39218
179: ok 39219
179: ok 39220
179: ok 39221
179: ok 39222
179: ok 39223
179: ok 39224
179: ok 39225
179: ok 39226
179: ok 39227
179: ok 39228
179: ok 39229
179: ok 39230
179: ok 39231
179: ok 39232
179: ok 39233
179: ok 39234
179: ok 39235
179: ok 39236
179: ok 39237
179: ok 39238
179: ok 39239
179: ok 39240
179: ok 39241
179: ok 39242
179: ok 39243
179: ok 39244
179: ok 39245
179: ok 39246
179: ok 39247
179: ok 39248
179: ok 39249
179: ok 39250
179: ok 39251
179: ok 39252
179: ok 39253
179: ok 39254
179: ok 39255
179: ok 39256
179: ok 39257
179: ok 39258
179: ok 39259
179: ok 39260
179: ok 39261
179: ok 39262
179: ok 39263
179: ok 39264
179: ok 39265
179: ok 39266
179: ok 39267
179: ok 39268
179: ok 39269
179: ok 39270
179: ok 39271
179: ok 39272
179: ok 39273
179: ok 39274
179: ok 39275
179: ok 39276
179: ok 39277
179: ok 39278
179: ok 39279
179: ok 39280
179: ok 39281
179: ok 39282
179: ok 39283
179: ok 39284
179: ok 39285
179: ok 39286
179: ok 39287
179: ok 39288
179: ok 39289
179: ok 39290
179: ok 39291
179: ok 39292
179: ok 39293
179: ok 39294
179: ok 39295
179: ok 39296
179: ok 39297
179: ok 39298
179: ok 39299
179: ok 39300
179: ok 39301
179: ok 39302
179: ok 39303
179: ok 39304
179: ok 39305
179: ok 39306
179: ok 39307
179: ok 39308
179: ok 39309
179: ok 39310
179: ok 39311
179: ok 39312
179: ok 39313
179: ok 39314
179: ok 39315
179: ok 39316
179: ok 39317
179: ok 39318
179: ok 39319
179: ok 39320
179: ok 39321
179: ok 39322
179: ok 39323
179: ok 39324
179: ok 39325
179: ok 39326
179: ok 39327
179: ok 39328
179: ok 39329
179: ok 39330
179: ok 39331
179: ok 39332
179: ok 39333
179: ok 39334
179: ok 39335
179: ok 39336
179: ok 39337
179: ok 39338
179: ok 39339
179: ok 39340
179: ok 39341
179: ok 39342
179: ok 39343
179: ok 39344
179: ok 39345
179: ok 39346
179: ok 39347
179: ok 39348
179: ok 39349
179: ok 39350
179: ok 39351
179: ok 39352
179: ok 39353
179: ok 39354
179: ok 39355
179: ok 39356
179: ok 39357
179: ok 39358
179: ok 39359
179: ok 39360
179: ok 39361
179: ok 39362
179: ok 39363
179: ok 39364
179: ok 39365
179: ok 39366
179: ok 39367
179: ok 39368
179: ok 39369
179: ok 39370
179: ok 39371
179: ok 39372
179: ok 39373
179: ok 39374
179: ok 39375
179: ok 39376
179: ok 39377
179: ok 39378
179: ok 39379
179: ok 39380
179: ok 39381
179: ok 39382
179: ok 39383
179: ok 39384
179: ok 39385
179: ok 39386
179: ok 39387
179: ok 39388
179: ok 39389
179: ok 39390
179: ok 39391
179: ok 39392
179: ok 39393
179: ok 39394
179: ok 39395
179: ok 39396
179: ok 39397
179: ok 39398
179: ok 39399
179: ok 39400
179: ok 39401
179: ok 39402
179: ok 39403
179: ok 39404
179: ok 39405
179: ok 39406
179: ok 39407
179: ok 39408
179: ok 39409
179: ok 39410
179: ok 39411
179: ok 39412
179: ok 39413
179: ok 39414
179: ok 39415
179: ok 39416
179: ok 39417
179: ok 39418
179: ok 39419
179: ok 39420
179: ok 39421
179: ok 39422
179: ok 39423
179: ok 39424
179: ok 39425
179: ok 39426
179: ok 39427
179: ok 39428
179: ok 39429
179: ok 39430
179: ok 39431
179: ok 39432
179: ok 39433
179: ok 39434
179: ok 39435
179: ok 39436
179: ok 39437
179: ok 39438
179: ok 39439
179: ok 39440
179: ok 39441
179: ok 39442
179: ok 39443
179: ok 39444
179: ok 39445
179: ok 39446
179: ok 39447
179: ok 39448
179: ok 39449
179: ok 39450
179: ok 39451
179: ok 39452
179: ok 39453
179: ok 39454
179: ok 39455
179: ok 39456
179: ok 39457
179: ok 39458
179: ok 39459
179: ok 39460
179: ok 39461
179: ok 39462
179: ok 39463
179: ok 39464
179: ok 39465
179: ok 39466
179: ok 39467
179: ok 39468
179: ok 39469
179: ok 39470
179: ok 39471
179: ok 39472
179: ok 39473
179: ok 39474
179: ok 39475
179: ok 39476
179: ok 39477
179: ok 39478
179: ok 39479
179: ok 39480
179: ok 39481
179: ok 39482
179: ok 39483
179: ok 39484
179: ok 39485
179: ok 39486
179: ok 39487
179: ok 39488
179: ok 39489
179: ok 39490
179: ok 39491
179: ok 39492
179: ok 39493
179: ok 39494
179: ok 39495
179: ok 39496
179: ok 39497
179: ok 39498
179: ok 39499
179: ok 39500
179: ok 39501
179: ok 39502
179: ok 39503
179: ok 39504
179: ok 39505
179: ok 39506
179: ok 39507
179: ok 39508
179: ok 39509
179: ok 39510
179: ok 39511
179: ok 39512
179: ok 39513
179: ok 39514
179: ok 39515
179: ok 39516
179: ok 39517
179: ok 39518
179: ok 39519
179: ok 39520
179: ok 39521
179: ok 39522
179: ok 39523
179: ok 39524
179: ok 39525
179: ok 39526
179: ok 39527
179: ok 39528
179: ok 39529
179: ok 39530
179: ok 39531
179: ok 39532
179: ok 39533
179: ok 39534
179: ok 39535
179: ok 39536
179: ok 39537
179: ok 39538
179: ok 39539
179: ok 39540
179: ok 39541
179: ok 39542
179: ok 39543
179: ok 39544
179: ok 39545
179: ok 39546
179: ok 39547
179: ok 39548
179: ok 39549
179: ok 39550
179: ok 39551
179: ok 39552
179: ok 39553
179: ok 39554
179: ok 39555
179: ok 39556
179: ok 39557
179: ok 39558
179: ok 39559
179: ok 39560
179: ok 39561
179: ok 39562
179: ok 39563
179: ok 39564
179: ok 39565
179: ok 39566
179: ok 39567
179: ok 39568
179: ok 39569
179: ok 39570
179: ok 39571
179: ok 39572
179: ok 39573
179: ok 39574
179: ok 39575
179: ok 39576
179: ok 39577
179: ok 39578
179: ok 39579
179: ok 39580
179: ok 39581
179: ok 39582
179: ok 39583
179: ok 39584
179: ok 39585
179: ok 39586
179: ok 39587
179: ok 39588
179: ok 39589
179: ok 39590
179: ok 39591
179: ok 39592
179: ok 39593
179: ok 39594
179: ok 39595
179: ok 39596
179: ok 39597
179: ok 39598
179: ok 39599
179: ok 39600
179: ok 39601
179: ok 39602
179: ok 39603
179: ok 39604
179: ok 39605
179: ok 39606
179: ok 39607
179: ok 39608
179: ok 39609
179: ok 39610
179: ok 39611
179: ok 39612
179: ok 39613
179: ok 39614
179: ok 39615
179: ok 39616
179: ok 39617
179: ok 39618
179: ok 39619
179: ok 39620
179: ok 39621
179: ok 39622
179: ok 39623
179: ok 39624
179: ok 39625
179: ok 39626
179: ok 39627
179: ok 39628
179: ok 39629
179: ok 39630
179: ok 39631
179: ok 39632
179: ok 39633
179: ok 39634
179: ok 39635
179: ok 39636
179: ok 39637
179: ok 39638
179: ok 39639
179: ok 39640
179: ok 39641
179: ok 39642
179: ok 39643
179: ok 39644
179: ok 39645
179: ok 39646
179: ok 39647
179: ok 39648
179: ok 39649
179: ok 39650
179: ok 39651
179: ok 39652
179: ok 39653
179: ok 39654
179: ok 39655
179: ok 39656
179: ok 39657
179: ok 39658
179: ok 39659
179: ok 39660
179: ok 39661
179: ok 39662
179: ok 39663
179: ok 39664
179: ok 39665
179: ok 39666
179: ok 39667
179: ok 39668
179: ok 39669
179: ok 39670
179: ok 39671
179: ok 39672
179: ok 39673
179: ok 39674
179: ok 39675
179: ok 39676
179: ok 39677
179: ok 39678
179: ok 39679
179: ok 39680
179: ok 39681
179: ok 39682
179: ok 39683
179: ok 39684
179: ok 39685
179: ok 39686
179: ok 39687
179: ok 39688
179: ok 39689
179: ok 39690
179: ok 39691
179: ok 39692
179: ok 39693
179: ok 39694
179: ok 39695
179: ok 39696
179: ok 39697
179: ok 39698
179: ok 39699
179: ok 39700
179: ok 39701
179: ok 39702
179: ok 39703
179: ok 39704
179: ok 39705
179: ok 39706
179: ok 39707
179: ok 39708
179: ok 39709
179: ok 39710
179: ok 39711
179: ok 39712
179: ok 39713
179: ok 39714
179: ok 39715
179: ok 39716
179: ok 39717
179: ok 39718
179: ok 39719
179: ok 39720
179: ok 39721
179: ok 39722
179: ok 39723
179: ok 39724
179: ok 39725
179: ok 39726
179: ok 39727
179: ok 39728
179: ok 39729
179: ok 39730
179: ok 39731
179: ok 39732
179: ok 39733
179: ok 39734
179: ok 39735
179: ok 39736
179: ok 39737
179: ok 39738
179: ok 39739
179: ok 39740
179: ok 39741
179: ok 39742
179: ok 39743
179: ok 39744
179: ok 39745
179: ok 39746
179: ok 39747
179: ok 39748
179: ok 39749
179: ok 39750
179: ok 39751
179: ok 39752
179: ok 39753
179: ok 39754
179: ok 39755
179: ok 39756
179: ok 39757
179: ok 39758
179: ok 39759
179: ok 39760
179: ok 39761
179: ok 39762
179: ok 39763
179: ok 39764
179: ok 39765
179: ok 39766
179: ok 39767
179: ok 39768
179: ok 39769
179: ok 39770
179: ok 39771
179: ok 39772
179: ok 39773
179: ok 39774
179: ok 39775
179: ok 39776
179: ok 39777
179: ok 39778
179: ok 39779
179: ok 39780
179: ok 39781
179: ok 39782
179: ok 39783
179: ok 39784
179: ok 39785
179: ok 39786
179: ok 39787
179: ok 39788
179: ok 39789
179: ok 39790
179: ok 39791
179: ok 39792
179: ok 39793
179: ok 39794
179: ok 39795
179: ok 39796
179: ok 39797
179: ok 39798
179: ok 39799
179: ok 39800
179: ok 39801
179: ok 39802
179: ok 39803
179: ok 39804
179: ok 39805
179: ok 39806
179: ok 39807
179: ok 39808
179: ok 39809
179: ok 39810
179: ok 39811
179: ok 39812
179: ok 39813
179: ok 39814
179: ok 39815
179: ok 39816
179: ok 39817
179: ok 39818
179: ok 39819
179: ok 39820
179: ok 39821
179: ok 39822
179: ok 39823
179: ok 39824
179: ok 39825
179: ok 39826
179: ok 39827
179: ok 39828
179: ok 39829
179: ok 39830
179: ok 39831
179: ok 39832
179: ok 39833
179: ok 39834
179: ok 39835
179: ok 39836
179: ok 39837
179: ok 39838
179: ok 39839
179: ok 39840
179: ok 39841
179: ok 39842
179: ok 39843
179: ok 39844
179: ok 39845
179: ok 39846
179: ok 39847
179: ok 39848
179: ok 39849
179: ok 39850
179: ok 39851
179: ok 39852
179: ok 39853
179: ok 39854
179: ok 39855
179: ok 39856
179: ok 39857
179: ok 39858
179: ok 39859
179: ok 39860
179: ok 39861
179: ok 39862
179: ok 39863
179: ok 39864
179: ok 39865
179: ok 39866
179: ok 39867
179: ok 39868
179: ok 39869
179: ok 39870
179: ok 39871
179: ok 39872
179: ok 39873
179: ok 39874
179: ok 39875
179: ok 39876
179: ok 39877
179: ok 39878
179: ok 39879
179: ok 39880
179: ok 39881
179: ok 39882
179: ok 39883
179: ok 39884
179: ok 39885
179: ok 39886
179: ok 39887
179: ok 39888
179: ok 39889
179: ok 39890
179: ok 39891
179: ok 39892
179: ok 39893
179: ok 39894
179: ok 39895
179: ok 39896
179: ok 39897
179: ok 39898
179: ok 39899
179: ok 39900
179: ok 39901
179: ok 39902
179: ok 39903
179: ok 39904
179: ok 39905
179: ok 39906
179: ok 39907
179: ok 39908
179: ok 39909
179: ok 39910
179: ok 39911
179: ok 39912
179: ok 39913
179: ok 39914
179: ok 39915
179: ok 39916
179: ok 39917
179: ok 39918
179: ok 39919
179: ok 39920
179: ok 39921
179: ok 39922
179: ok 39923
179: ok 39924
179: ok 39925
179: ok 39926
179: ok 39927
179: ok 39928
179: ok 39929
179: ok 39930
179: ok 39931
179: ok 39932
179: ok 39933
179: ok 39934
179: ok 39935
179: ok 39936
179: ok 39937
179: ok 39938
179: ok 39939
179: ok 39940
179: ok 39941
179: ok 39942
179: ok 39943
179: ok 39944
179: ok 39945
179: ok 39946
179: ok 39947
179: ok 39948
179: ok 39949
179: ok 39950
179: ok 39951
179: ok 39952
179: ok 39953
179: ok 39954
179: ok 39955
179: ok 39956
179: ok 39957
179: ok 39958
179: ok 39959
179: ok 39960
179: ok 39961
179: ok 39962
179: ok 39963
179: ok 39964
179: ok 39965
179: ok 39966
179: ok 39967
179: ok 39968
179: ok 39969
179: ok 39970
179: ok 39971
179: ok 39972
179: ok 39973
179: ok 39974
179: ok 39975
179: ok 39976
179: ok 39977
179: ok 39978
179: ok 39979
179: ok 39980
179: ok 39981
179: ok 39982
179: ok 39983
179: ok 39984
179: ok 39985
179: ok 39986
179: ok 39987
179: ok 39988
179: ok 39989
179: ok 39990
179: ok 39991
179: ok 39992
179: ok 39993
179: ok 39994
179: ok 39995
179: ok 39996
179: ok 39997
179: ok 39998
179: ok 39999
179: ok 40000
179: ok 40001
179: ok 40002
179: ok 40003
179: ok 40004
179: ok 40005
179: ok 40006
179: ok 40007
179: ok 40008
179: ok 40009
179: ok 40010
179: ok 40011
179: ok 40012
179: ok 40013
179: ok 40014
179: ok 40015
179: ok 40016
179: ok 40017
179: ok 40018
179: ok 40019
179: ok 40020
179: ok 40021
179: ok 40022
179: ok 40023
179: ok 40024
179: ok 40025
179: ok 40026
179: ok 40027
179: ok 40028
179: ok 40029
179: ok 40030
179: ok 40031
179: ok 40032
179: ok 40033
179: ok 40034
179: ok 40035
179: ok 40036
179: ok 40037
179: ok 40038
179: ok 40039
179: ok 40040
179: ok 40041
179: ok 40042
179: ok 40043
179: ok 40044
179: ok 40045
179: ok 40046
179: ok 40047
179: ok 40048
179: ok 40049
179: ok 40050
179: ok 40051
179: ok 40052
179: ok 40053
179: ok 40054
179: ok 40055
179: ok 40056
179: ok 40057
179: ok 40058
179: ok 40059
179: ok 40060
179: ok 40061
179: ok 40062
179: ok 40063
179: ok 40064
179: ok 40065
179: ok 40066
179: ok 40067
179: ok 40068
179: ok 40069
179: ok 40070
179: ok 40071
179: ok 40072
179: ok 40073
179: ok 40074
179: ok 40075
179: ok 40076
179: ok 40077
179: ok 40078
179: ok 40079
179: ok 40080
179: ok 40081
179: ok 40082
179: ok 40083
179: ok 40084
179: ok 40085
179: ok 40086
179: ok 40087
179: ok 40088
179: ok 40089
179: ok 40090
179: ok 40091
179: ok 40092
179: ok 40093
179: ok 40094
179: ok 40095
179: ok 40096
179: ok 40097
179: ok 40098
179: ok 40099
179: ok 40100
179: ok 40101
179: ok 40102
179: ok 40103
179: ok 40104
179: ok 40105
179: ok 40106
179: ok 40107
179: ok 40108
179: ok 40109
179: ok 40110
179: ok 40111
179: ok 40112
179: ok 40113
179: ok 40114
179: ok 40115
179: ok 40116
179: ok 40117
179: ok 40118
179: ok 40119
179: ok 40120
179: ok 40121
179: ok 40122
179: ok 40123
179: ok 40124
179: ok 40125
179: ok 40126
179: ok 40127
179: ok 40128
179: ok 40129
179: ok 40130
179: ok 40131
179: ok 40132
179: ok 40133
179: ok 40134
179: ok 40135
179: ok 40136
179: ok 40137
179: ok 40138
179: ok 40139
179: ok 40140
179: ok 40141
179: ok 40142
179: ok 40143
179: ok 40144
179: ok 40145
179: ok 40146
179: ok 40147
179: ok 40148
179: ok 40149
179: ok 40150
179: ok 40151
179: ok 40152
179: ok 40153
179: ok 40154
179: ok 40155
179: ok 40156
179: ok 40157
179: ok 40158
179: ok 40159
179: ok 40160
179: ok 40161
179: ok 40162
179: ok 40163
179: ok 40164
179: ok 40165
179: ok 40166
179: ok 40167
179: ok 40168
179: ok 40169
179: ok 40170
179: ok 40171
179: ok 40172
179: ok 40173
179: ok 40174
179: ok 40175
179: ok 40176
179: ok 40177
179: ok 40178
179: ok 40179
179: ok 40180
179: ok 40181
179: ok 40182
179: ok 40183
179: ok 40184
179: ok 40185
179: ok 40186
179: ok 40187
179: ok 40188
179: ok 40189
179: ok 40190
179: ok 40191
179: ok 40192
179: ok 40193
179: ok 40194
179: ok 40195
179: ok 40196
179: ok 40197
179: ok 40198
179: ok 40199
179: ok 40200
179: ok 40201
179: ok 40202
179: ok 40203
179: ok 40204
179: ok 40205
179: ok 40206
179: ok 40207
179: ok 40208
179: ok 40209
179: ok 40210
179: ok 40211
179: ok 40212
179: ok 40213
179: ok 40214
179: ok 40215
179: ok 40216
179: ok 40217
179: ok 40218
179: ok 40219
179: ok 40220
179: ok 40221
179: ok 40222
179: ok 40223
179: ok 40224
179: ok 40225
179: ok 40226
179: ok 40227
179: ok 40228
179: ok 40229
179: ok 40230
179: ok 40231
179: ok 40232
179: ok 40233
179: ok 40234
179: ok 40235
179: ok 40236
179: ok 40237
179: ok 40238
179: ok 40239
179: ok 40240
179: ok 40241
179: ok 40242
179: ok 40243
179: ok 40244
179: ok 40245
179: ok 40246
179: ok 40247
179: ok 40248
179: ok 40249
179: ok 40250
179: ok 40251
179: ok 40252
179: ok 40253
179: ok 40254
179: ok 40255
179: ok 40256
179: ok 40257
179: ok 40258
179: ok 40259
179: ok 40260
179: ok 40261
179: ok 40262
179: ok 40263
179: ok 40264
179: ok 40265
179: ok 40266
179: ok 40267
179: ok 40268
179: ok 40269
179: ok 40270
179: ok 40271
179: ok 40272
179: ok 40273
179: ok 40274
179: ok 40275
179: ok 40276
179: ok 40277
179: ok 40278
179: ok 40279
179: ok 40280
179: ok 40281
179: ok 40282
179: ok 40283
179: ok 40284
179: ok 40285
179: ok 40286
179: ok 40287
179: ok 40288
179: ok 40289
179: ok 40290
179: ok 40291
179: ok 40292
179: ok 40293
179: ok 40294
179: ok 40295
179: ok 40296
179: ok 40297
179: ok 40298
179: ok 40299
179: ok 40300
179: ok 40301
179: ok 40302
179: ok 40303
179: ok 40304
179: ok 40305
179: ok 40306
179: ok 40307
179: ok 40308
179: ok 40309
179: ok 40310
179: ok 40311
179: ok 40312
179: ok 40313
179: ok 40314
179: ok 40315
179: ok 40316
179: ok 40317
179: ok 40318
179: ok 40319
179: ok 40320
179: ok 40321
179: ok 40322
179: ok 40323
179: ok 40324
179: ok 40325
179: ok 40326
179: ok 40327
179: ok 40328
179: ok 40329
179: ok 40330
179: ok 40331
179: ok 40332
179: ok 40333
179: ok 40334
179: ok 40335
179: ok 40336
179: ok 40337
179: ok 40338
179: ok 40339
179: ok 40340
179: ok 40341
179: ok 40342
179: ok 40343
179: ok 40344
179: ok 40345
179: ok 40346
179: ok 40347
179: ok 40348
179: ok 40349
179: ok 40350
179: ok 40351
179: ok 40352
179: ok 40353
179: ok 40354
179: ok 40355
179: ok 40356
179: ok 40357
179: ok 40358
179: ok 40359
179: ok 40360
179: ok 40361
179: ok 40362
179: ok 40363
179: ok 40364
179: ok 40365
179: ok 40366
179: ok 40367
179: ok 40368
179: ok 40369
179: ok 40370
179: ok 40371
179: ok 40372
179: ok 40373
179: ok 40374
179: ok 40375
179: ok 40376
179: ok 40377
179: ok 40378
179: ok 40379
179: ok 40380
179: ok 40381
179: ok 40382
179: ok 40383
179: ok 40384
179: ok 40385
179: ok 40386
179: ok 40387
179: ok 40388
179: ok 40389
179: ok 40390
179: ok 40391
179: ok 40392
179: ok 40393
179: ok 40394
179: ok 40395
179: ok 40396
179: ok 40397
179: ok 40398
179: ok 40399
179: ok 40400
179: ok 40401
179: ok 40402
179: ok 40403
179: ok 40404
179: ok 40405
179: ok 40406
179: ok 40407
179: ok 40408
179: ok 40409
179: ok 40410
179: ok 40411
179: ok 40412
179: ok 40413
179: ok 40414
179: ok 40415
179: ok 40416
179: ok 40417
179: ok 40418
179: ok 40419
179: ok 40420
179: ok 40421
179: ok 40422
179: ok 40423
179: ok 40424
179: ok 40425
179: ok 40426
179: ok 40427
179: ok 40428
179: ok 40429
179: ok 40430
179: ok 40431
179: ok 40432
179: ok 40433
179: ok 40434
179: ok 40435
179: ok 40436
179: ok 40437
179: ok 40438
179: ok 40439
179: ok 40440
179: ok 40441
179: ok 40442
179: ok 40443
179: ok 40444
179: ok 40445
179: ok 40446
179: ok 40447
179: ok 40448
179: ok 40449
179: ok 40450
179: ok 40451
179: ok 40452
179: ok 40453
179: ok 40454
179: ok 40455
179: ok 40456
179: ok 40457
179: ok 40458
179: ok 40459
179: ok 40460
179: ok 40461
179: ok 40462
179: ok 40463
179: ok 40464
179: ok 40465
179: ok 40466
179: ok 40467
179: ok 40468
179: ok 40469
179: ok 40470
179: ok 40471
179: ok 40472
179: ok 40473
179: ok 40474
179: ok 40475
179: ok 40476
179: ok 40477
179: ok 40478
179: ok 40479
179: ok 40480
179: ok 40481
179: ok 40482
179: ok 40483
179: ok 40484
179: ok 40485
179: ok 40486
179: ok 40487
179: ok 40488
179: ok 40489
179: ok 40490
179: ok 40491
179: ok 40492
179: ok 40493
179: ok 40494
179: ok 40495
179: ok 40496
179: ok 40497
179: ok 40498
179: ok 40499
179: ok 40500
179: ok 40501
179: ok 40502
179: ok 40503
179: ok 40504
179: ok 40505
179: ok 40506
179: ok 40507
179: ok 40508
179: ok 40509
179: ok 40510
179: ok 40511
179: ok 40512
179: ok 40513
179: ok 40514
179: ok 40515
179: ok 40516
179: ok 40517
179: ok 40518
179: ok 40519
179: ok 40520
179: ok 40521
179: ok 40522
179: ok 40523
179: ok 40524
179: ok 40525
179: ok 40526
179: ok 40527
179: ok 40528
179: ok 40529
179: ok 40530
179: ok 40531
179: ok 40532
179: ok 40533
179: ok 40534
179: ok 40535
179: ok 40536
179: ok 40537
179: ok 40538
179: ok 40539
179: ok 40540
179: ok 40541
179: ok 40542
179: ok 40543
179: ok 40544
179: ok 40545
179: ok 40546
179: ok 40547
179: ok 40548
179: ok 40549
179: ok 40550
179: ok 40551
179: ok 40552
179: ok 40553
179: ok 40554
179: ok 40555
179: ok 40556
179: ok 40557
179: ok 40558
179: ok 40559
179: ok 40560
179: ok 40561
179: ok 40562
179: ok 40563
179: ok 40564
179: ok 40565
179: ok 40566
179: ok 40567
179: ok 40568
179: ok 40569
179: ok 40570
179: ok 40571
179: ok 40572
179: ok 40573
179: ok 40574
179: ok 40575
179: ok 40576
179: ok 40577
179: ok 40578
179: ok 40579
179: ok 40580
179: ok 40581
179: ok 40582
179: ok 40583
179: ok 40584
179: ok 40585
179: ok 40586
179: ok 40587
179: ok 40588
179: ok 40589
179: ok 40590
179: ok 40591
179: ok 40592
179: ok 40593
179: ok 40594
179: ok 40595
179: ok 40596
179: ok 40597
179: ok 40598
179: ok 40599
179: ok 40600
179: ok 40601
179: ok 40602
179: ok 40603
179: ok 40604
179: ok 40605
179: ok 40606
179: ok 40607
179: ok 40608
179: ok 40609
179: ok 40610
179: ok 40611
179: ok 40612
179: ok 40613
179: ok 40614
179: ok 40615
179: ok 40616
179: ok 40617
179: ok 40618
179: ok 40619
179: ok 40620
179: ok 40621
179: ok 40622
179: ok 40623
179: ok 40624
179: ok 40625
179: ok 40626
179: ok 40627
179: ok 40628
179: ok 40629
179: ok 40630
179: ok 40631
179: ok 40632
179: ok 40633
179: ok 40634
179: ok 40635
179: ok 40636
179: ok 40637
179: ok 40638
179: ok 40639
179: ok 40640
179: ok 40641
179: ok 40642
179: ok 40643
179: ok 40644
179: ok 40645
179: ok 40646
179: ok 40647
179: ok 40648
179: ok 40649
179: ok 40650
179: ok 40651
179: ok 40652
179: ok 40653
179: ok 40654
179: ok 40655
179: ok 40656
179: ok 40657
179: ok 40658
179: ok 40659
179: ok 40660
179: ok 40661
179: ok 40662
179: ok 40663
179: ok 40664
179: ok 40665
179: ok 40666
179: ok 40667
179: ok 40668
179: ok 40669
179: ok 40670
179: ok 40671
179: ok 40672
179: ok 40673
179: ok 40674
179: ok 40675
179: ok 40676
179: ok 40677
179: ok 40678
179: ok 40679
179: ok 40680
179: ok 40681
179: ok 40682
179: ok 40683
179: ok 40684
179: ok 40685
179: ok 40686
179: ok 40687
179: ok 40688
179: ok 40689
179: ok 40690
179: ok 40691
179: ok 40692
179: ok 40693
179: ok 40694
179: ok 40695
179: ok 40696
179: ok 40697
179: ok 40698
179: ok 40699
179: ok 40700
179: ok 40701
179: ok 40702
179: ok 40703
179: ok 40704
179: ok 40705
179: ok 40706
179: ok 40707
179: ok 40708
179: ok 40709
179: ok 40710
179: ok 40711
179: ok 40712
179: ok 40713
179: ok 40714
179: ok 40715
179: ok 40716
179: ok 40717
179: ok 40718
179: ok 40719
179: ok 40720
179: ok 40721
179: ok 40722
179: ok 40723
179: ok 40724
179: ok 40725
179: ok 40726
179: ok 40727
179: ok 40728
179: ok 40729
179: ok 40730
179: ok 40731
179: ok 40732
179: ok 40733
179: ok 40734
179: ok 40735
179: ok 40736
179: ok 40737
179: ok 40738
179: ok 40739
179: ok 40740
179: ok 40741
179: ok 40742
179: ok 40743
179: ok 40744
179: ok 40745
179: ok 40746
179: ok 40747
179: ok 40748
179: ok 40749
179: ok 40750
179: ok 40751
179: ok 40752
179: ok 40753
179: ok 40754
179: ok 40755
179: ok 40756
179: ok 40757
179: ok 40758
179: ok 40759
179: ok 40760
179: ok 40761
179: ok 40762
179: ok 40763
179: ok 40764
179: ok 40765
179: ok 40766
179: ok 40767
179: ok 40768
179: ok 40769
179: ok 40770
179: ok 40771
179: ok 40772
179: ok 40773
179: ok 40774
179: ok 40775
179: ok 40776
179: ok 40777
179: ok 40778
179: ok 40779
179: ok 40780
179: ok 40781
179: ok 40782
179: ok 40783
179: ok 40784
179: ok 40785
179: ok 40786
179: ok 40787
179: ok 40788
179: ok 40789
179: ok 40790
179: ok 40791
179: ok 40792
179: ok 40793
179: ok 40794
179: ok 40795
179: ok 40796
179: ok 40797
179: ok 40798
179: ok 40799
179: ok 40800
179: ok 40801
179: ok 40802
179: ok 40803
179: ok 40804
179: ok 40805
179: ok 40806
179: ok 40807
179: ok 40808
179: ok 40809
179: ok 40810
179: ok 40811
179: ok 40812
179: ok 40813
179: ok 40814
179: ok 40815
179: ok 40816
179: ok 40817
179: ok 40818
179: ok 40819
179: ok 40820
179: ok 40821
179: ok 40822
179: ok 40823
179: ok 40824
179: ok 40825
179: ok 40826
179: ok 40827
179: ok 40828
179: ok 40829
179: ok 40830
179: ok 40831
179: ok 40832
179: ok 40833
179: ok 40834
179: ok 40835
179: ok 40836
179: ok 40837
179: ok 40838
179: ok 40839
179: ok 40840
179: ok 40841
179: ok 40842
179: ok 40843
179: ok 40844
179: ok 40845
179: ok 40846
179: ok 40847
179: ok 40848
179: ok 40849
179: ok 40850
179: ok 40851
179: ok 40852
179: ok 40853
179: ok 40854
179: ok 40855
179: ok 40856
179: ok 40857
179: ok 40858
179: ok 40859
179: ok 40860
179: ok 40861
179: ok 40862
179: ok 40863
179: ok 40864
179: ok 40865
179: ok 40866
179: ok 40867
179: ok 40868
179: ok 40869
179: ok 40870
179: ok 40871
179: ok 40872
179: ok 40873
179: ok 40874
179: ok 40875
179: ok 40876
179: ok 40877
179: ok 40878
179: ok 40879
179: ok 40880
179: ok 40881
179: ok 40882
179: ok 40883
179: ok 40884
179: ok 40885
179: ok 40886
179: ok 40887
179: ok 40888
179: ok 40889
179: ok 40890
179: ok 40891
179: ok 40892
179: ok 40893
179: ok 40894
179: ok 40895
179: ok 40896
179: ok 40897
179: ok 40898
179: ok 40899
179: ok 40900
179: ok 40901
179: ok 40902
179: ok 40903
179: ok 40904
179: ok 40905
179: ok 40906
179: ok 40907
179: ok 40908
179: ok 40909
179: ok 40910
179: ok 40911
179: ok 40912
179: ok 40913
179: ok 40914
179: ok 40915
179: ok 40916
179: ok 40917
179: ok 40918
179: ok 40919
179: ok 40920
179: ok 40921
179: ok 40922
179: ok 40923
179: ok 40924
179: ok 40925
179: ok 40926
179: ok 40927
179: ok 40928
179: ok 40929
179: ok 40930
179: ok 40931
179: ok 40932
179: ok 40933
179: ok 40934
179: ok 40935
179: ok 40936
179: ok 40937
179: ok 40938
179: ok 40939
179: ok 40940
179: ok 40941
179: ok 40942
179: ok 40943
179: ok 40944
179: ok 40945
179: ok 40946
179: ok 40947
179: ok 40948
179: ok 40949
179: ok 40950
179: ok 40951
179: ok 40952
179: ok 40953
179: ok 40954
179: ok 40955
179: ok 40956
179: ok 40957
179: ok 40958
179: ok 40959
179: ok 40960
179: ok 40961
179: ok 40962
179: ok 40963
179: ok 40964
179: ok 40965
179: ok 40966
179: ok 40967
179: ok 40968
179: ok 40969
179: ok 40970
179: ok 40971
179: ok 40972
179: ok 40973
179: ok 40974
179: ok 40975
179: ok 40976
179: ok 40977
179: ok 40978
179: ok 40979
179: ok 40980
179: ok 40981
179: ok 40982
179: ok 40983
179: ok 40984
179: ok 40985
179: ok 40986
179: ok 40987
179: ok 40988
179: ok 40989
179: ok 40990
179: ok 40991
179: ok 40992
179: ok 40993
179: ok 40994
179: ok 40995
179: ok 40996
179: ok 40997
179: ok 40998
179: ok 40999
179: ok 41000
179: ok 41001
179: ok 41002
179: ok 41003
179: ok 41004
179: ok 41005
179: ok 41006
179: ok 41007
179: ok 41008
179: ok 41009
179: ok 41010
179: ok 41011
179: ok 41012
179: ok 41013
179: ok 41014
179: ok 41015
179: ok 41016
179: ok 41017
179: ok 41018
179: ok 41019
179: ok 41020
179: ok 41021
179: ok 41022
179: ok 41023
179: ok 41024
179: ok 41025
179: ok 41026
179: ok 41027
179: ok 41028
179: ok 41029
179: ok 41030
179: ok 41031
179: ok 41032
179: ok 41033
179: ok 41034
179: ok 41035
179: ok 41036
179: ok 41037
179: ok 41038
179: ok 41039
179: ok 41040
179: ok 41041
179: ok 41042
179: ok 41043
179: ok 41044
179: ok 41045
179: ok 41046
179: ok 41047
179: ok 41048
179: ok 41049
179: ok 41050
179: ok 41051
179: ok 41052
179: ok 41053
179: ok 41054
179: ok 41055
179: ok 41056
179: ok 41057
179: ok 41058
179: ok 41059
179: ok 41060
179: ok 41061
179: ok 41062
179: ok 41063
179: ok 41064
179: ok 41065
179: ok 41066
179: ok 41067
179: ok 41068
179: ok 41069
179: ok 41070
179: ok 41071
179: ok 41072
179: ok 41073
179: ok 41074
179: ok 41075
179: ok 41076
179: ok 41077
179: ok 41078
179: ok 41079
179: ok 41080
179: ok 41081
179: ok 41082
179: ok 41083
179: ok 41084
179: ok 41085
179: ok 41086
179: ok 41087
179: ok 41088
179: ok 41089
179: ok 41090
179: ok 41091
179: ok 41092
179: ok 41093
179: ok 41094
179: ok 41095
179: ok 41096
179: ok 41097
179: ok 41098
179: ok 41099
179: ok 41100
179: ok 41101
179: ok 41102
179: ok 41103
179: ok 41104
179: ok 41105
179: ok 41106
179: ok 41107
179: ok 41108
179: ok 41109
179: ok 41110
179: ok 41111
179: ok 41112
179: ok 41113
179: ok 41114
179: ok 41115
179: ok 41116
179: ok 41117
179: ok 41118
179: ok 41119
179: ok 41120
179: ok 41121
179: ok 41122
179: ok 41123
179: ok 41124
179: ok 41125
179: ok 41126
179: ok 41127
179: ok 41128
179: ok 41129
179: ok 41130
179: ok 41131
179: ok 41132
179: ok 41133
179: ok 41134
179: ok 41135
179: ok 41136
179: ok 41137
179: ok 41138
179: ok 41139
179: ok 41140
179: ok 41141
179: ok 41142
179: ok 41143
179: ok 41144
179: ok 41145
179: ok 41146
179: ok 41147
179: ok 41148
179: ok 41149
179: ok 41150
179: ok 41151
179: ok 41152
179: ok 41153
179: ok 41154
179: ok 41155
179: ok 41156
179: ok 41157
179: ok 41158
179: ok 41159
179: ok 41160
179: ok 41161
179: ok 41162
179: ok 41163
179: ok 41164
179: ok 41165
179: ok 41166
179: ok 41167
179: ok 41168
179: ok 41169
179: ok 41170
179: ok 41171
179: ok 41172
179: ok 41173
179: ok 41174
179: ok 41175
179: ok 41176
179: ok 41177
179: ok 41178
179: ok 41179
179: ok 41180
179: ok 41181
179: ok 41182
179: ok 41183
179: ok 41184
179: ok 41185
179: ok 41186
179: ok 41187
179: ok 41188
179: ok 41189
179: ok 41190
179: ok 41191
179: ok 41192
179: ok 41193
179: ok 41194
179: ok 41195
179: ok 41196
179: ok 41197
179: ok 41198
179: ok 41199
179: ok 41200
179: ok 41201
179: ok 41202
179: ok 41203
179: ok 41204
179: ok 41205
179: ok 41206
179: ok 41207
179: ok 41208
179: ok 41209
179: ok 41210
179: ok 41211
179: ok 41212
179: ok 41213
179: ok 41214
179: ok 41215
179: ok 41216
179: ok 41217
179: ok 41218
179: ok 41219
179: ok 41220
179: ok 41221
179: ok 41222
179: ok 41223
179: ok 41224
179: ok 41225
179: ok 41226
179: ok 41227
179: ok 41228
179: ok 41229
179: ok 41230
179: ok 41231
179: ok 41232
179: ok 41233
179: ok 41234
179: ok 41235
179: ok 41236
179: ok 41237
179: ok 41238
179: ok 41239
179: ok 41240
179: ok 41241
179: ok 41242
179: ok 41243
179: ok 41244
179: ok 41245
179: ok 41246
179: ok 41247
179: ok 41248
179: ok 41249
179: ok 41250
179: ok 41251
179: ok 41252
179: ok 41253
179: ok 41254
179: ok 41255
179: ok 41256
179: ok 41257
179: ok 41258
179: ok 41259
179: ok 41260
179: ok 41261
179: ok 41262
179: ok 41263
179: ok 41264
179: ok 41265
179: ok 41266
179: ok 41267
179: ok 41268
179: ok 41269
179: ok 41270
179: ok 41271
179: ok 41272
179: ok 41273
179: ok 41274
179: ok 41275
179: ok 41276
179: ok 41277
179: ok 41278
179: ok 41279
179: ok 41280
179: ok 41281
179: ok 41282
179: ok 41283
179: ok 41284
179: ok 41285
179: ok 41286
179: ok 41287
179: ok 41288
179: ok 41289
179: ok 41290
179: ok 41291
179: ok 41292
179: ok 41293
179: ok 41294
179: ok 41295
179: ok 41296
179: ok 41297
179: ok 41298
179: ok 41299
179: ok 41300
179: ok 41301
179: ok 41302
179: ok 41303
179: ok 41304
179: ok 41305
179: ok 41306
179: ok 41307
179: ok 41308
179: ok 41309
179: ok 41310
179: ok 41311
179: ok 41312
179: ok 41313
179: ok 41314
179: ok 41315
179: ok 41316
179: ok 41317
179: ok 41318
179: ok 41319
179: ok 41320
179: ok 41321
179: ok 41322
179: ok 41323
179: ok 41324
179: ok 41325
179: ok 41326
179: ok 41327
179: ok 41328
179: ok 41329
179: ok 41330
179: ok 41331
179: ok 41332
179: ok 41333
179: ok 41334
179: ok 41335
179: ok 41336
179: ok 41337
179: ok 41338
179: ok 41339
179: ok 41340
179: ok 41341
179: ok 41342
179: ok 41343
179: ok 41344
179: ok 41345
179: ok 41346
179: ok 41347
179: ok 41348
179: ok 41349
179: ok 41350
179: ok 41351
179: ok 41352
179: ok 41353
179: ok 41354
179: ok 41355
179: ok 41356
179: ok 41357
179: ok 41358
179: ok 41359
179: ok 41360
179: ok 41361
179: ok 41362
179: ok 41363
179: ok 41364
179: ok 41365
179: ok 41366
179: ok 41367
179: ok 41368
179: ok 41369
179: ok 41370
179: ok 41371
179: ok 41372
179: ok 41373
179: ok 41374
179: ok 41375
179: ok 41376
179: ok 41377
179: ok 41378
179: ok 41379
179: ok 41380
179: ok 41381
179: ok 41382
179: ok 41383
179: ok 41384
179: ok 41385
179: ok 41386
179: ok 41387
179: ok 41388
179: ok 41389
179: ok 41390
179: ok 41391
179: ok 41392
179: ok 41393
179: ok 41394
179: ok 41395
179: ok 41396
179: ok 41397
179: ok 41398
179: ok 41399
179: ok 41400
179: ok 41401
179: ok 41402
179: ok 41403
179: ok 41404
179: ok 41405
179: ok 41406
179: ok 41407
179: ok 41408
179: ok 41409
179: ok 41410
179: ok 41411
179: ok 41412
179: ok 41413
179: ok 41414
179: ok 41415
179: ok 41416
179: ok 41417
179: ok 41418
179: ok 41419
179: ok 41420
179: ok 41421
179: ok 41422
179: ok 41423
179: ok 41424
179: ok 41425
179: ok 41426
179: ok 41427
179: ok 41428
179: ok 41429
179: ok 41430
179: ok 41431
179: ok 41432
179: ok 41433
179: ok 41434
179: ok 41435
179: ok 41436
179: ok 41437
179: ok 41438
179: ok 41439
179: ok 41440
179: ok 41441
179: ok 41442
179: ok 41443
179: ok 41444
179: ok 41445
179: ok 41446
179: ok 41447
179: ok 41448
179: ok 41449
179: ok 41450
179: ok 41451
179: ok 41452
179: ok 41453
179: ok 41454
179: ok 41455
179: ok 41456
179: ok 41457
179: ok 41458
179: ok 41459
179: ok 41460
179: ok 41461
179: ok 41462
179: ok 41463
179: ok 41464
179: ok 41465
179: ok 41466
179: ok 41467
179: ok 41468
179: ok 41469
179: ok 41470
179: ok 41471
179: ok 41472
179: ok 41473
179: ok 41474
179: ok 41475
179: ok 41476
179: ok 41477
179: ok 41478
179: ok 41479
179: ok 41480
179: ok 41481
179: ok 41482
179: ok 41483
179: ok 41484
179: ok 41485
179: ok 41486
179: ok 41487
179: ok 41488
179: ok 41489
179: ok 41490
179: ok 41491
179: ok 41492
179: ok 41493
179: ok 41494
179: ok 41495
179: ok 41496
179: ok 41497
179: ok 41498
179: ok 41499
179: ok 41500
179: ok 41501
179: ok 41502
179: ok 41503
179: ok 41504
179: ok 41505
179: ok 41506
179: ok 41507
179: ok 41508
179: ok 41509
179: ok 41510
179: ok 41511
179: ok 41512
179: ok 41513
179: ok 41514
179: ok 41515
179: ok 41516
179: ok 41517
179: ok 41518
179: ok 41519
179: ok 41520
179: ok 41521
179: ok 41522
179: ok 41523
179: ok 41524
179: ok 41525
179: ok 41526
179: ok 41527
179: ok 41528
179: ok 41529
179: ok 41530
179: ok 41531
179: ok 41532
179: ok 41533
179: ok 41534
179: ok 41535
179: ok 41536
179: ok 41537
179: ok 41538
179: ok 41539
179: ok 41540
179: ok 41541
179: ok 41542
179: ok 41543
179: ok 41544
179: ok 41545
179: ok 41546
179: ok 41547
179: ok 41548
179: ok 41549
179: ok 41550
179: ok 41551
179: ok 41552
179: ok 41553
179: ok 41554
179: ok 41555
179: ok 41556
179: ok 41557
179: ok 41558
179: ok 41559
179: ok 41560
179: ok 41561
179: ok 41562
179: ok 41563
179: ok 41564
179: ok 41565
179: ok 41566
179: ok 41567
179: ok 41568
179: ok 41569
179: ok 41570
179: ok 41571
179: ok 41572
179: ok 41573
179: ok 41574
179: ok 41575
179: ok 41576
179: ok 41577
179: ok 41578
179: ok 41579
179: ok 41580
179: ok 41581
179: ok 41582
179: ok 41583
179: ok 41584
179: ok 41585
179: ok 41586
179: ok 41587
179: ok 41588
179: ok 41589
179: ok 41590
179: ok 41591
179: ok 41592
179: ok 41593
179: ok 41594
179: ok 41595
179: ok 41596
179: ok 41597
179: ok 41598
179: ok 41599
179: ok 41600
179: ok 41601
179: ok 41602
179: ok 41603
179: ok 41604
179: ok 41605
179: ok 41606
179: ok 41607
179: ok 41608
179: ok 41609
179: ok 41610
179: ok 41611
179: ok 41612
179: ok 41613
179: ok 41614
179: ok 41615
179: ok 41616
179: ok 41617
179: ok 41618
179: ok 41619
179: ok 41620
179: ok 41621
179: ok 41622
179: ok 41623
179: ok 41624
179: ok 41625
179: ok 41626
179: ok 41627
179: ok 41628
179: ok 41629
179: ok 41630
179: ok 41631
179: ok 41632
179: ok 41633
179: ok 41634
179: ok 41635
179: ok 41636
179: ok 41637
179: ok 41638
179: ok 41639
179: ok 41640
179: ok 41641
179: ok 41642
179: ok 41643
179: ok 41644
179: ok 41645
179: ok 41646
179: ok 41647
179: ok 41648
179: ok 41649
179: ok 41650
179: ok 41651
179: ok 41652
179: ok 41653
179: ok 41654
179: ok 41655
179: ok 41656
179: ok 41657
179: ok 41658
179: ok 41659
179: ok 41660
179: ok 41661
179: ok 41662
179: ok 41663
179: ok 41664
179: ok 41665
179: ok 41666
179: ok 41667
179: ok 41668
179: ok 41669
179: ok 41670
179: ok 41671
179: ok 41672
179: ok 41673
179: ok 41674
179: ok 41675
179: ok 41676
179: ok 41677
179: ok 41678
179: ok 41679
179: ok 41680
179: ok 41681
179: ok 41682
179: ok 41683
179: ok 41684
179: ok 41685
179: ok 41686
179: ok 41687
179: ok 41688
179: ok 41689
179: ok 41690
179: ok 41691
179: ok 41692
179: ok 41693
179: ok 41694
179: ok 41695
179: ok 41696
179: ok 41697
179: ok 41698
179: ok 41699
179: ok 41700
179: ok 41701
179: ok 41702
179: ok 41703
179: ok 41704
179: ok 41705
179: ok 41706
179: ok 41707
179: ok 41708
179: ok 41709
179: ok 41710
179: ok 41711
179: ok 41712
179: ok 41713
179: ok 41714
179: ok 41715
179: ok 41716
179: ok 41717
179: ok 41718
179: ok 41719
179: ok 41720
179: ok 41721
179: ok 41722
179: ok 41723
179: ok 41724
179: ok 41725
179: ok 41726
179: ok 41727
179: ok 41728
179: ok 41729
179: ok 41730
179: ok 41731
179: ok 41732
179: ok 41733
179: ok 41734
179: ok 41735
179: ok 41736
179: ok 41737
179: ok 41738
179: ok 41739
179: ok 41740
179: ok 41741
179: ok 41742
179: ok 41743
179: ok 41744
179: ok 41745
179: ok 41746
179: ok 41747
179: ok 41748
179: ok 41749
179: ok 41750
179: ok 41751
179: ok 41752
179: ok 41753
179: ok 41754
179: ok 41755
179: ok 41756
179: ok 41757
179: ok 41758
179: ok 41759
179: ok 41760
179: ok 41761
179: ok 41762
179: ok 41763
179: ok 41764
179: ok 41765
179: ok 41766
179: ok 41767
179: ok 41768
179: ok 41769
179: ok 41770
179: ok 41771
179: ok 41772
179: ok 41773
179: ok 41774
179: ok 41775
179: ok 41776
179: ok 41777
179: ok 41778
179: ok 41779
179: ok 41780
179: ok 41781
179: ok 41782
179: ok 41783
179: ok 41784
179: ok 41785
179: ok 41786
179: ok 41787
179: ok 41788
179: ok 41789
179: ok 41790
179: ok 41791
179: ok 41792
179: ok 41793
179: ok 41794
179: ok 41795
179: ok 41796
179: ok 41797
179: ok 41798
179: ok 41799
179: ok 41800
179: ok 41801
179: ok 41802
179: ok 41803
179: ok 41804
179: ok 41805
179: ok 41806
179: ok 41807
179: ok 41808
179: ok 41809
179: ok 41810
179: ok 41811
179: ok 41812
179: ok 41813
179: ok 41814
179: ok 41815
179: ok 41816
179: ok 41817
179: ok 41818
179: ok 41819
179: ok 41820
179: ok 41821
179: ok 41822
179: ok 41823
179: ok 41824
179: ok 41825
179: ok 41826
179: ok 41827
179: ok 41828
179: ok 41829
179: ok 41830
179: ok 41831
179: ok 41832
179: ok 41833
179: ok 41834
179: ok 41835
179: ok 41836
179: ok 41837
179: ok 41838
179: ok 41839
179: ok 41840
179: ok 41841
179: ok 41842
179: ok 41843
179: ok 41844
179: ok 41845
179: ok 41846
179: ok 41847
179: ok 41848
179: ok 41849
179: ok 41850
179: ok 41851
179: ok 41852
179: ok 41853
179: ok 41854
179: ok 41855
179: ok 41856
179: ok 41857
179: ok 41858
179: ok 41859
179: ok 41860
179: ok 41861
179: ok 41862
179: ok 41863
179: ok 41864
179: ok 41865
179: ok 41866
179: ok 41867
179: ok 41868
179: ok 41869
179: ok 41870
179: ok 41871
179: ok 41872
179: ok 41873
179: ok 41874
179: ok 41875
179: ok 41876
179: ok 41877
179: ok 41878
179: ok 41879
179: ok 41880
179: ok 41881
179: ok 41882
179: ok 41883
179: ok 41884
179: ok 41885
179: ok 41886
179: ok 41887
179: ok 41888
179: ok 41889
179: ok 41890
179: ok 41891
179: ok 41892
179: ok 41893
179: ok 41894
179: ok 41895
179: ok 41896
179: ok 41897
179: ok 41898
179: ok 41899
179: ok 41900
179: ok 41901
179: ok 41902
179: ok 41903
179: ok 41904
179: ok 41905
179: ok 41906
179: ok 41907
179: ok 41908
179: ok 41909
179: ok 41910
179: ok 41911
179: ok 41912
179: ok 41913
179: ok 41914
179: ok 41915
179: ok 41916
179: ok 41917
179: ok 41918
179: ok 41919
179: ok 41920
179: ok 41921
179: ok 41922
179: ok 41923
179: ok 41924
179: ok 41925
179: ok 41926
179: ok 41927
179: ok 41928
179: ok 41929
179: ok 41930
179: ok 41931
179: ok 41932
179: ok 41933
179: ok 41934
179: ok 41935
179: ok 41936
179: ok 41937
179: ok 41938
179: ok 41939
179: ok 41940
179: ok 41941
179: ok 41942
179: ok 41943
179: ok 41944
179: ok 41945
179: ok 41946
179: ok 41947
179: ok 41948
179: ok 41949
179: ok 41950
179: ok 41951
179: ok 41952
179: ok 41953
179: ok 41954
179: ok 41955
179: ok 41956
179: ok 41957
179: ok 41958
179: ok 41959
179: ok 41960
179: ok 41961
179: ok 41962
179: ok 41963
179: ok 41964
179: ok 41965
179: ok 41966
179: ok 41967
179: ok 41968
179: ok 41969
179: ok 41970
179: ok 41971
179: ok 41972
179: ok 41973
179: ok 41974
179: ok 41975
179: ok 41976
179: ok 41977
179: ok 41978
179: ok 41979
179: ok 41980
179: ok 41981
179: ok 41982
179: ok 41983
179: ok 41984
179: ok 41985
179: ok 41986
179: ok 41987
179: ok 41988
179: ok 41989
179: ok 41990
179: ok 41991
179: ok 41992
179: ok 41993
179: ok 41994
179: ok 41995
179: ok 41996
179: ok 41997
179: ok 41998
179: ok 41999
179: ok 42000
179: ok 42001
179: ok 42002
179: ok 42003
179: ok 42004
179: ok 42005
179: ok 42006
179: ok 42007
179: ok 42008
179: ok 42009
179: ok 42010
179: ok 42011
179: ok 42012
179: ok 42013
179: ok 42014
179: ok 42015
179: ok 42016
179: ok 42017
179: ok 42018
179: ok 42019
179: ok 42020
179: ok 42021
179: ok 42022
179: ok 42023
179: ok 42024
179: ok 42025
179: ok 42026
179: ok 42027
179: ok 42028
179: ok 42029
179: ok 42030
179: ok 42031
179: ok 42032
179: ok 42033
179: ok 42034
179: ok 42035
179: ok 42036
179: ok 42037
179: ok 42038
179: ok 42039
179: ok 42040
179: ok 42041
179: ok 42042
179: ok 42043
179: ok 42044
179: ok 42045
179: ok 42046
179: ok 42047
179: ok 42048
179: ok 42049
179: ok 42050
179: ok 42051
179: ok 42052
179: ok 42053
179: ok 42054
179: ok 42055
179: ok 42056
179: ok 42057
179: ok 42058
179: ok 42059
179: ok 42060
179: ok 42061
179: ok 42062
179: ok 42063
179: ok 42064
179: ok 42065
179: ok 42066
179: ok 42067
179: ok 42068
179: ok 42069
179: ok 42070
179: ok 42071
179: ok 42072
179: ok 42073
179: ok 42074
179: ok 42075
179: ok 42076
179: ok 42077
179: ok 42078
179: ok 42079
179: ok 42080
179: ok 42081
179: ok 42082
179: ok 42083
179: ok 42084
179: ok 42085
179: ok 42086
179: ok 42087
179: ok 42088
179: ok 42089
179: ok 42090
179: ok 42091
179: ok 42092
179: ok 42093
179: ok 42094
179: ok 42095
179: ok 42096
179: ok 42097
179: ok 42098
179: ok 42099
179: ok 42100
179: ok 42101
179: ok 42102
179: ok 42103
179: ok 42104
179: ok 42105
179: ok 42106
179: ok 42107
179: ok 42108
179: ok 42109
179: ok 42110
179: ok 42111
179: ok 42112
179: ok 42113
179: ok 42114
179: ok 42115
179: ok 42116
179: ok 42117
179: ok 42118
179: ok 42119
179: ok 42120
179: ok 42121
179: ok 42122
179: ok 42123
179: ok 42124
179: ok 42125
179: ok 42126
179: ok 42127
179: ok 42128
179: ok 42129
179: ok 42130
179: ok 42131
179: ok 42132
179: ok 42133
179: ok 42134
179: ok 42135
179: ok 42136
179: ok 42137
179: ok 42138
179: ok 42139
179: ok 42140
179: ok 42141
179: ok 42142
179: ok 42143
179: ok 42144
179: ok 42145
179: ok 42146
179: ok 42147
179: ok 42148
179: ok 42149
179: ok 42150
179: ok 42151
179: ok 42152
179: ok 42153
179: ok 42154
179: ok 42155
179: ok 42156
179: ok 42157
179: ok 42158
179: ok 42159
179: ok 42160
179: ok 42161
179: ok 42162
179: ok 42163
179: ok 42164
179: ok 42165
179: ok 42166
179: ok 42167
179: ok 42168
179: ok 42169
179: ok 42170
179: ok 42171
179: ok 42172
179: ok 42173
179: ok 42174
179: ok 42175
179: ok 42176
179: ok 42177
179: ok 42178
179: ok 42179
179: ok 42180
179: ok 42181
179: ok 42182
179: ok 42183
179: ok 42184
179: ok 42185
179: ok 42186
179: ok 42187
179: ok 42188
179: ok 42189
179: ok 42190
179: ok 42191
179: ok 42192
179: ok 42193
179: ok 42194
179: ok 42195
179: ok 42196
179: ok 42197
179: ok 42198
179: ok 42199
179: ok 42200
179: ok 42201
179: ok 42202
179: ok 42203
179: ok 42204
179: ok 42205
179: ok 42206
179: ok 42207
179: ok 42208
179: ok 42209
179: ok 42210
179: ok 42211
179: ok 42212
179: ok 42213
179: ok 42214
179: ok 42215
179: ok 42216
179: ok 42217
179: ok 42218
179: ok 42219
179: ok 42220
179: ok 42221
179: ok 42222
179: ok 42223
179: ok 42224
179: ok 42225
179: ok 42226
179: ok 42227
179: ok 42228
179: ok 42229
179: ok 42230
179: ok 42231
179: ok 42232
179: ok 42233
179: ok 42234
179: ok 42235
179: ok 42236
179: ok 42237
179: ok 42238
179: ok 42239
179: ok 42240
179: ok 42241
179: ok 42242
179: ok 42243
179: ok 42244
179: ok 42245
179: ok 42246
179: ok 42247
179: ok 42248
179: ok 42249
179: ok 42250
179: ok 42251
179: ok 42252
179: ok 42253
179: ok 42254
179: ok 42255
179: ok 42256
179: ok 42257
179: ok 42258
179: ok 42259
179: ok 42260
179: ok 42261
179: ok 42262
179: ok 42263
179: ok 42264
179: ok 42265
179: ok 42266
179: ok 42267
179: ok 42268
179: ok 42269
179: ok 42270
179: ok 42271
179: ok 42272
179: ok 42273
179: ok 42274
179: ok 42275
179: ok 42276
179: ok 42277
179: ok 42278
179: ok 42279
179: ok 42280
179: ok 42281
179: ok 42282
179: ok 42283
179: ok 42284
179: ok 42285
179: ok 42286
179: ok 42287
179: ok 42288
179: ok 42289
179: ok 42290
179: ok 42291
179: ok 42292
179: ok 42293
179: ok 42294
179: ok 42295
179: ok 42296
179: ok 42297
179: ok 42298
179: ok 42299
179: ok 42300
179: ok 42301
179: ok 42302
179: ok 42303
179: ok 42304
179: ok 42305
179: ok 42306
179: ok 42307
179: ok 42308
179: ok 42309
179: ok 42310
179: ok 42311
179: ok 42312
179: ok 42313
179: ok 42314
179: ok 42315
179: ok 42316
179: ok 42317
179: ok 42318
179: ok 42319
179: ok 42320
179: ok 42321
179: ok 42322
179: ok 42323
179: ok 42324
179: ok 42325
179: ok 42326
179: ok 42327
179: ok 42328
179: ok 42329
179: ok 42330
179: ok 42331
179: ok 42332
179: ok 42333
179: ok 42334
179: ok 42335
179: ok 42336
179: ok 42337
179: ok 42338
179: ok 42339
179: ok 42340
179: ok 42341
179: ok 42342
179: ok 42343
179: ok 42344
179: ok 42345
179: ok 42346
179: ok 42347
179: ok 42348
179: ok 42349
179: ok 42350
179: ok 42351
179: ok 42352
179: ok 42353
179: ok 42354
179: ok 42355
179: ok 42356
179: ok 42357
179: ok 42358
179: ok 42359
179: ok 42360
179: ok 42361
179: ok 42362
179: ok 42363
179: ok 42364
179: ok 42365
179: ok 42366
179: ok 42367
179: ok 42368
179: ok 42369
179: ok 42370
179: ok 42371
179: ok 42372
179: ok 42373
179: ok 42374
179: ok 42375
179: ok 42376
179: ok 42377
179: ok 42378
179: ok 42379
179: ok 42380
179: ok 42381
179: ok 42382
179: ok 42383
179: ok 42384
179: ok 42385
179: ok 42386
179: ok 42387
179: ok 42388
179: ok 42389
179: ok 42390
179: ok 42391
179: ok 42392
179: ok 42393
179: ok 42394
179: ok 42395
179: ok 42396
179: ok 42397
179: ok 42398
179: ok 42399
179: ok 42400
179: ok 42401
179: ok 42402
179: ok 42403
179: ok 42404
179: ok 42405
179: ok 42406
179: ok 42407
179: ok 42408
179: ok 42409
179: ok 42410
179: ok 42411
179: ok 42412
179: ok 42413
179: ok 42414
179: ok 42415
179: ok 42416
179: ok 42417
179: ok 42418
179: ok 42419
179: ok 42420
179: ok 42421
179: ok 42422
179: ok 42423
179: ok 42424
179: ok 42425
179: ok 42426
179: ok 42427
179: ok 42428
179: ok 42429
179: ok 42430
179: ok 42431
179: ok 42432
179: ok 42433
179: ok 42434
179: ok 42435
179: ok 42436
179: ok 42437
179: ok 42438
179: ok 42439
179: ok 42440
179: ok 42441
179: ok 42442
179: ok 42443
179: ok 42444
179: ok 42445
179: ok 42446
179: ok 42447
179: ok 42448
179: ok 42449
179: ok 42450
179: ok 42451
179: ok 42452
179: ok 42453
179: ok 42454
179: ok 42455
179: ok 42456
179: ok 42457
179: ok 42458
179: ok 42459
179: ok 42460
179: ok 42461
179: ok 42462
179: ok 42463
179: ok 42464
179: ok 42465
179: ok 42466
179: ok 42467
179: ok 42468
179: ok 42469
179: ok 42470
179: ok 42471
179: ok 42472
179: ok 42473
179: ok 42474
179: ok 42475
179: ok 42476
179: ok 42477
179: ok 42478
179: ok 42479
179: ok 42480
179: ok 42481
179: ok 42482
179: ok 42483
179: ok 42484
179: ok 42485
179: ok 42486
179: ok 42487
179: ok 42488
179: ok 42489
179: ok 42490
179: ok 42491
179: ok 42492
179: ok 42493
179: ok 42494
179: ok 42495
179: ok 42496
179: ok 42497
179: ok 42498
179: ok 42499
179: ok 42500
179: ok 42501
179: ok 42502
179: ok 42503
179: ok 42504
179: ok 42505
179: ok 42506
179: ok 42507
179: ok 42508
179: ok 42509
179: ok 42510
179: ok 42511
179: ok 42512
179: ok 42513
179: ok 42514
179: ok 42515
179: ok 42516
179: ok 42517
179: ok 42518
179: ok 42519
179: ok 42520
179: ok 42521
179: ok 42522
179: ok 42523
179: ok 42524
179: ok 42525
179: ok 42526
179: ok 42527
179: ok 42528
179: ok 42529
179: ok 42530
179: ok 42531
179: ok 42532
179: ok 42533
179: ok 42534
179: ok 42535
179: ok 42536
179: ok 42537
179: ok 42538
179: ok 42539
179: ok 42540
179: ok 42541
179: ok 42542
179: ok 42543
179: ok 42544
179: ok 42545
179: ok 42546
179: ok 42547
179: ok 42548
179: ok 42549
179: ok 42550
179: ok 42551
179: ok 42552
179: ok 42553
179: ok 42554
179: ok 42555
179: ok 42556
179: ok 42557
179: ok 42558
179: ok 42559
179: ok 42560
179: ok 42561
179: ok 42562
179: ok 42563
179: ok 42564
179: ok 42565
179: ok 42566
179: ok 42567
179: ok 42568
179: ok 42569
179: ok 42570
179: ok 42571
179: ok 42572
179: ok 42573
179: ok 42574
179: ok 42575
179: ok 42576
179: ok 42577
179: ok 42578
179: ok 42579
179: ok 42580
179: ok 42581
179: ok 42582
179: ok 42583
179: ok 42584
179: ok 42585
179: ok 42586
179: ok 42587
179: ok 42588
179: ok 42589
179: ok 42590
179: ok 42591
179: ok 42592
179: ok 42593
179: ok 42594
179: ok 42595
179: ok 42596
179: ok 42597
179: ok 42598
179: ok 42599
179: ok 42600
179: ok 42601
179: ok 42602
179: ok 42603
179: ok 42604
179: ok 42605
179: ok 42606
179: ok 42607
179: ok 42608
179: ok 42609
179: ok 42610
179: ok 42611
179: ok 42612
179: ok 42613
179: ok 42614
179: ok 42615
179: ok 42616
179: ok 42617
179: ok 42618
179: ok 42619
179: ok 42620
179: ok 42621
179: ok 42622
179: ok 42623
179: ok 42624
179: ok 42625
179: ok 42626
179: ok 42627
179: ok 42628
179: ok 42629
179: ok 42630
179: ok 42631
179: ok 42632
179: ok 42633
179: ok 42634
179: ok 42635
179: ok 42636
179: ok 42637
179: ok 42638
179: ok 42639
179: ok 42640
179: ok 42641
179: ok 42642
179: ok 42643
179: ok 42644
179: ok 42645
179: ok 42646
179: ok 42647
179: ok 42648
179: ok 42649
179: ok 42650
179: ok 42651
179: ok 42652
179: ok 42653
179: ok 42654
179: ok 42655
179: ok 42656
179: ok 42657
179: ok 42658
179: ok 42659
179: ok 42660
179: ok 42661
179: ok 42662
179: ok 42663
179: ok 42664
179: ok 42665
179: ok 42666
179: ok 42667
179: ok 42668
179: ok 42669
179: ok 42670
179: ok 42671
179: ok 42672
179: ok 42673
179: ok 42674
179: ok 42675
179: ok 42676
179: ok 42677
179: ok 42678
179: ok 42679
179: ok 42680
179: ok 42681
179: ok 42682
179: ok 42683
179: ok 42684
179: ok 42685
179: ok 42686
179: ok 42687
179: ok 42688
179: ok 42689
179: ok 42690
179: ok 42691
179: ok 42692
179: ok 42693
179: ok 42694
179: ok 42695
179: ok 42696
179: ok 42697
179: ok 42698
179: ok 42699
179: ok 42700
179: ok 42701
179: ok 42702
179: ok 42703
179: ok 42704
179: ok 42705
179: ok 42706
179: ok 42707
179: ok 42708
179: ok 42709
179: ok 42710
179: ok 42711
179: ok 42712
179: ok 42713
179: ok 42714
179: ok 42715
179: ok 42716
179: ok 42717
179: ok 42718
179: ok 42719
179: ok 42720
179: ok 42721
179: ok 42722
179: ok 42723
179: ok 42724
179: ok 42725
179: ok 42726
179: ok 42727
179: ok 42728
179: ok 42729
179: ok 42730
179: ok 42731
179: ok 42732
179: ok 42733
179: ok 42734
179: ok 42735
179: ok 42736
179: ok 42737
179: ok 42738
179: ok 42739
179: ok 42740
179: ok 42741
179: ok 42742
179: ok 42743
179: ok 42744
179: ok 42745
179: ok 42746
179: ok 42747
179: ok 42748
179: ok 42749
179: ok 42750
179: ok 42751
179: ok 42752
179: ok 42753
179: ok 42754
179: ok 42755
179: ok 42756
179: ok 42757
179: ok 42758
179: ok 42759
179: ok 42760
179: ok 42761
179: ok 42762
179: ok 42763
179: ok 42764
179: ok 42765
179: ok 42766
179: ok 42767
179: ok 42768
179: ok 42769
179: ok 42770
179: ok 42771
179: ok 42772
179: ok 42773
179: ok 42774
179: ok 42775
179: ok 42776
179: ok 42777
179: ok 42778
179: ok 42779
179: ok 42780
179: ok 42781
179: ok 42782
179: ok 42783
179: ok 42784
179: ok 42785
179: ok 42786
179: ok 42787
179: ok 42788
179: ok 42789
179: ok 42790
179: ok 42791
179: ok 42792
179: ok 42793
179: ok 42794
179: ok 42795
179: ok 42796
179: ok 42797
179: ok 42798
179: ok 42799
179: ok 42800
179: ok 42801
179: ok 42802
179: ok 42803
179: ok 42804
179: ok 42805
179: ok 42806
179: ok 42807
179: ok 42808
179: ok 42809
179: ok 42810
179: ok 42811
179: ok 42812
179: ok 42813
179: ok 42814
179: ok 42815
179: ok 42816
179: ok 42817
179: ok 42818
179: ok 42819
179: ok 42820
179: ok 42821
179: ok 42822
179: ok 42823
179: ok 42824
179: ok 42825
179: ok 42826
179: ok 42827
179: ok 42828
179: ok 42829
179: ok 42830
179: ok 42831
179: ok 42832
179: ok 42833
179: ok 42834
179: ok 42835
179: ok 42836
179: ok 42837
179: ok 42838
179: ok 42839
179: ok 42840
179: ok 42841
179: ok 42842
179: ok 42843
179: ok 42844
179: ok 42845
179: ok 42846
179: ok 42847
179: ok 42848
179: ok 42849
179: ok 42850
179: ok 42851
179: ok 42852
179: ok 42853
179: ok 42854
179: ok 42855
179: ok 42856
179: ok 42857
179: ok 42858
179: ok 42859
179: ok 42860
179: ok 42861
179: ok 42862
179: ok 42863
179: ok 42864
179: ok 42865
179: ok 42866
179: ok 42867
179: ok 42868
179: ok 42869
179: ok 42870
179: ok 42871
179: ok 42872
179: ok 42873
179: ok 42874
179: ok 42875
179: ok 42876
179: ok 42877
179: ok 42878
179: ok 42879
179: ok 42880
179: ok 42881
179: ok 42882
179: ok 42883
179: ok 42884
179: ok 42885
179: ok 42886
179: ok 42887
179: ok 42888
179: ok 42889
179: ok 42890
179: ok 42891
179: ok 42892
179: ok 42893
179: ok 42894
179: ok 42895
179: ok 42896
179: ok 42897
179: ok 42898
179: ok 42899
179: ok 42900
179: ok 42901
179: ok 42902
179: ok 42903
179: ok 42904
179: ok 42905
179: ok 42906
179: ok 42907
179: ok 42908
179: ok 42909
179: ok 42910
179: ok 42911
179: ok 42912
179: ok 42913
179: ok 42914
179: ok 42915
179: ok 42916
179: ok 42917
179: ok 42918
179: ok 42919
179: ok 42920
179: ok 42921
179: ok 42922
179: ok 42923
179: ok 42924
179: ok 42925
179: ok 42926
179: ok 42927
179: ok 42928
179: ok 42929
179: ok 42930
179: ok 42931
179: ok 42932
179: ok 42933
179: ok 42934
179: ok 42935
179: ok 42936
179: ok 42937
179: ok 42938
179: ok 42939
179: ok 42940
179: ok 42941
179: ok 42942
179: ok 42943
179: ok 42944
179: ok 42945
179: ok 42946
179: ok 42947
179: ok 42948
179: ok 42949
179: ok 42950
179: ok 42951
179: ok 42952
179: ok 42953
179: ok 42954
179: ok 42955
179: ok 42956
179: ok 42957
179: ok 42958
179: ok 42959
179: ok 42960
179: ok 42961
179: ok 42962
179: ok 42963
179: ok 42964
179: ok 42965
179: ok 42966
179: ok 42967
179: ok 42968
179: ok 42969
179: ok 42970
179: ok 42971
179: ok 42972
179: ok 42973
179: ok 42974
179: ok 42975
179: ok 42976
179: ok 42977
179: ok 42978
179: ok 42979
179: ok 42980
179: ok 42981
179: ok 42982
179: ok 42983
179: ok 42984
179: ok 42985
179: ok 42986
179: ok 42987
179: ok 42988
179: ok 42989
179: ok 42990
179: ok 42991
179: ok 42992
179: ok 42993
179: ok 42994
179: ok 42995
179: ok 42996
179: ok 42997
179: ok 42998
179: ok 42999
179: ok 43000
179: ok 43001
179: ok 43002
179: ok 43003
179: ok 43004
179: ok 43005
179: ok 43006
179: ok 43007
179: ok 43008
179: ok 43009
179: ok 43010
179: ok 43011
179: ok 43012
179: ok 43013
179: ok 43014
179: ok 43015
179: ok 43016
179: ok 43017
179: ok 43018
179: ok 43019
179: ok 43020
179: ok 43021
179: ok 43022
179: ok 43023
179: ok 43024
179: ok 43025
179: ok 43026
179: ok 43027
179: ok 43028
179: ok 43029
179: ok 43030
179: ok 43031
179: ok 43032
179: ok 43033
179: ok 43034
179: ok 43035
179: ok 43036
179: ok 43037
179: ok 43038
179: ok 43039
179: ok 43040
179: ok 43041
179: ok 43042
179: ok 43043
179: ok 43044
179: ok 43045
179: ok 43046
179: ok 43047
179: ok 43048
179: ok 43049
179: ok 43050
179: ok 43051
179: ok 43052
179: ok 43053
179: ok 43054
179: ok 43055
179: ok 43056
179: ok 43057
179: ok 43058
179: ok 43059
179: ok 43060
179: ok 43061
179: ok 43062
179: ok 43063
179: ok 43064
179: ok 43065
179: ok 43066
179: ok 43067
179: ok 43068
179: ok 43069
179: ok 43070
179: ok 43071
179: ok 43072
179: ok 43073
179: ok 43074
179: ok 43075
179: ok 43076
179: ok 43077
179: ok 43078
179: ok 43079
179: ok 43080
179: ok 43081
179: ok 43082
179: ok 43083
179: ok 43084
179: ok 43085
179: ok 43086
179: ok 43087
179: ok 43088
179: ok 43089
179: ok 43090
179: ok 43091
179: ok 43092
179: ok 43093
179: ok 43094
179: ok 43095
179: ok 43096
179: ok 43097
179: ok 43098
179: ok 43099
179: ok 43100
179: ok 43101
179: ok 43102
179: ok 43103
179: ok 43104
179: ok 43105
179: ok 43106
179: ok 43107
179: ok 43108
179: ok 43109
179: ok 43110
179: ok 43111
179: ok 43112
179: ok 43113
179: ok 43114
179: ok 43115
179: ok 43116
179: ok 43117
179: ok 43118
179: ok 43119
179: ok 43120
179: ok 43121
179: ok 43122
179: ok 43123
179: ok 43124
179: ok 43125
179: ok 43126
179: ok 43127
179: ok 43128
179: ok 43129
179: ok 43130
179: ok 43131
179: ok 43132
179: ok 43133
179: ok 43134
179: ok 43135
179: ok 43136
179: ok 43137
179: ok 43138
179: ok 43139
179: ok 43140
179: ok 43141
179: ok 43142
179: ok 43143
179: ok 43144
179: ok 43145
179: ok 43146
179: ok 43147
179: ok 43148
179: ok 43149
179: ok 43150
179: ok 43151
179: ok 43152
179: ok 43153
179: ok 43154
179: ok 43155
179: ok 43156
179: ok 43157
179: ok 43158
179: ok 43159
179: ok 43160
179: ok 43161
179: ok 43162
179: ok 43163
179: ok 43164
179: ok 43165
179: ok 43166
179: ok 43167
179: ok 43168
179: ok 43169
179: ok 43170
179: ok 43171
179: ok 43172
179: ok 43173
179: ok 43174
179: ok 43175
179: ok 43176
179: ok 43177
179: ok 43178
179: ok 43179
179: ok 43180
179: ok 43181
179: ok 43182
179: ok 43183
179: ok 43184
179: ok 43185
179: ok 43186
179: ok 43187
179: ok 43188
179: ok 43189
179: ok 43190
179: ok 43191
179: ok 43192
179: ok 43193
179: ok 43194
179: ok 43195
179: ok 43196
179: ok 43197
179: ok 43198
179: ok 43199
179: ok 43200
179: ok 43201
179: ok 43202
179: ok 43203
179: ok 43204
179: ok 43205
179: ok 43206
179: ok 43207
179: ok 43208
179: ok 43209
179: ok 43210
179: ok 43211
179: ok 43212
179: ok 43213
179: ok 43214
179: ok 43215
179: ok 43216
179: ok 43217
179: ok 43218
179: ok 43219
179: ok 43220
179: ok 43221
179: ok 43222
179: ok 43223
179: ok 43224
179: ok 43225
179: ok 43226
179: ok 43227
179: ok 43228
179: ok 43229
179: ok 43230
179: ok 43231
179: ok 43232
179: ok 43233
179: ok 43234
179: ok 43235
179: ok 43236
179: ok 43237
179: ok 43238
179: ok 43239
179: ok 43240
179: ok 43241
179: ok 43242
179: ok 43243
179: ok 43244
179: ok 43245
179: ok 43246
179: ok 43247
179: ok 43248
179: ok 43249
179: ok 43250
179: ok 43251
179: ok 43252
179: ok 43253
179: ok 43254
179: ok 43255
179: ok 43256
179: ok 43257
179: ok 43258
179: ok 43259
179: ok 43260
179: ok 43261
179: ok 43262
179: ok 43263
179: ok 43264
179: ok 43265
179: ok 43266
179: ok 43267
179: ok 43268
179: ok 43269
179: ok 43270
179: ok 43271
179: ok 43272
179: ok 43273
179: ok 43274
179: ok 43275
179: ok 43276
179: ok 43277
179: ok 43278
179: ok 43279
179: ok 43280
179: ok 43281
179: ok 43282
179: ok 43283
179: ok 43284
179: ok 43285
179: ok 43286
179: ok 43287
179: ok 43288
179: ok 43289
179: ok 43290
179: ok 43291
179: ok 43292
179: ok 43293
179: ok 43294
179: ok 43295
179: ok 43296
179: ok 43297
179: ok 43298
179: ok 43299
179: ok 43300
179: ok 43301
179: ok 43302
179: ok 43303
179: ok 43304
179: ok 43305
179: ok 43306
179: ok 43307
179: ok 43308
179: ok 43309
179: ok 43310
179: ok 43311
179: ok 43312
179: ok 43313
179: ok 43314
179: ok 43315
179: ok 43316
179: ok 43317
179: ok 43318
179: ok 43319
179: ok 43320
179: ok 43321
179: ok 43322
179: ok 43323
179: ok 43324
179: ok 43325
179: ok 43326
179: ok 43327
179: ok 43328
179: ok 43329
179: ok 43330
179: ok 43331
179: ok 43332
179: ok 43333
179: ok 43334
179: ok 43335
179: ok 43336
179: ok 43337
179: ok 43338
179: ok 43339
179: ok 43340
179: ok 43341
179: ok 43342
179: ok 43343
179: ok 43344
179: ok 43345
179: ok 43346
179: ok 43347
179: ok 43348
179: ok 43349
179: ok 43350
179: ok 43351
179: ok 43352
179: ok 43353
179: ok 43354
179: ok 43355
179: ok 43356
179: ok 43357
179: ok 43358
179: ok 43359
179: ok 43360
179: ok 43361
179: ok 43362
179: ok 43363
179: ok 43364
179: ok 43365
179: ok 43366
179: ok 43367
179: ok 43368
179: ok 43369
179: ok 43370
179: ok 43371
179: ok 43372
179: ok 43373
179: ok 43374
179: ok 43375
179: ok 43376
179: ok 43377
179: ok 43378
179: ok 43379
179: ok 43380
179: ok 43381
179: ok 43382
179: ok 43383
179: ok 43384
179: ok 43385
179: ok 43386
179: ok 43387
179: ok 43388
179: ok 43389
179: ok 43390
179: ok 43391
179: ok 43392
179: ok 43393
179: ok 43394
179: ok 43395
179: ok 43396
179: ok 43397
179: ok 43398
179: ok 43399
179: ok 43400
179: ok 43401
179: ok 43402
179: ok 43403
179: ok 43404
179: ok 43405
179: ok 43406
179: ok 43407
179: ok 43408
179: ok 43409
179: ok 43410
179: ok 43411
179: ok 43412
179: ok 43413
179: ok 43414
179: ok 43415
179: ok 43416
179: ok 43417
179: ok 43418
179: ok 43419
179: ok 43420
179: ok 43421
179: ok 43422
179: ok 43423
179: ok 43424
179: ok 43425
179: ok 43426
179: ok 43427
179: ok 43428
179: ok 43429
179: ok 43430
179: ok 43431
179: ok 43432
179: ok 43433
179: ok 43434
179: ok 43435
179: ok 43436
179: ok 43437
179: ok 43438
179: ok 43439
179: ok 43440
179: ok 43441
179: ok 43442
179: ok 43443
179: ok 43444
179: ok 43445
179: ok 43446
179: ok 43447
179: ok 43448
179: ok 43449
179: ok 43450
179: ok 43451
179: ok 43452
179: ok 43453
179: ok 43454
179: ok 43455
179: ok 43456
179: ok 43457
179: ok 43458
179: ok 43459
179: ok 43460
179: ok 43461
179: ok 43462
179: ok 43463
179: ok 43464
179: ok 43465
179: ok 43466
179: ok 43467
179: ok 43468
179: ok 43469
179: ok 43470
179: ok 43471
179: ok 43472
179: ok 43473
179: ok 43474
179: ok 43475
179: ok 43476
179: ok 43477
179: ok 43478
179: ok 43479
179: ok 43480
179: ok 43481
179: ok 43482
179: ok 43483
179: ok 43484
179: ok 43485
179: ok 43486
179: ok 43487
179: ok 43488
179: ok 43489
179: ok 43490
179: ok 43491
179: ok 43492
179: ok 43493
179: ok 43494
179: ok 43495
179: ok 43496
179: ok 43497
179: ok 43498
179: ok 43499
179: ok 43500
179: ok 43501
179: ok 43502
179: ok 43503
179: ok 43504
179: ok 43505
179: ok 43506
179: ok 43507
179: ok 43508
179: ok 43509
179: ok 43510
179: ok 43511
179: ok 43512
179: ok 43513
179: ok 43514
179: ok 43515
179: ok 43516
179: ok 43517
179: ok 43518
179: ok 43519
179: ok 43520
179: ok 43521
179: ok 43522
179: ok 43523
179: ok 43524
179: ok 43525
179: ok 43526
179: ok 43527
179: ok 43528
179: ok 43529
179: ok 43530
179: ok 43531
179: ok 43532
179: ok 43533
179: ok 43534
179: ok 43535
179: ok 43536
179: ok 43537
179: ok 43538
179: ok 43539
179: ok 43540
179: ok 43541
179: ok 43542
179: ok 43543
179: ok 43544
179: ok 43545
179: ok 43546
179: ok 43547
179: ok 43548
179: ok 43549
179: ok 43550
179: ok 43551
179: ok 43552
179: ok 43553
179: ok 43554
179: ok 43555
179: ok 43556
179: ok 43557
179: ok 43558
179: ok 43559
179: ok 43560
179: ok 43561
179: ok 43562
179: ok 43563
179: ok 43564
179: ok 43565
179: ok 43566
179: ok 43567
179: ok 43568
179: ok 43569
179: ok 43570
179: ok 43571
179: ok 43572
179: ok 43573
179: ok 43574
179: ok 43575
179: ok 43576
179: ok 43577
179: ok 43578
179: ok 43579
179: ok 43580
179: ok 43581
179: ok 43582
179: ok 43583
179: ok 43584
179: ok 43585
179: ok 43586
179: ok 43587
179: ok 43588
179: ok 43589
179: ok 43590
179: ok 43591
179: ok 43592
179: ok 43593
179: ok 43594
179: ok 43595
179: ok 43596
179: ok 43597
179: ok 43598
179: ok 43599
179: ok 43600
179: ok 43601
179: ok 43602
179: ok 43603
179: ok 43604
179: ok 43605
179: ok 43606
179: ok 43607
179: ok 43608
179: ok 43609
179: ok 43610
179: ok 43611
179: ok 43612
179: ok 43613
179: ok 43614
179: ok 43615
179: ok 43616
179: ok 43617
179: ok 43618
179: ok 43619
179: ok 43620
179: ok 43621
179: ok 43622
179: ok 43623
179: ok 43624
179: ok 43625
179: ok 43626
179: ok 43627
179: ok 43628
179: ok 43629
179: ok 43630
179: ok 43631
179: ok 43632
179: ok 43633
179: ok 43634
179: ok 43635
179: ok 43636
179: ok 43637
179: ok 43638
179: ok 43639
179: ok 43640
179: ok 43641
179: ok 43642
179: ok 43643
179: ok 43644
179: ok 43645
179: ok 43646
179: ok 43647
179: ok 43648
179: ok 43649
179: ok 43650
179: ok 43651
179: ok 43652
179: ok 43653
179: ok 43654
179: ok 43655
179: ok 43656
179: ok 43657
179: ok 43658
179: ok 43659
179: ok 43660
179: ok 43661
179: ok 43662
179: ok 43663
179: ok 43664
179: ok 43665
179: ok 43666
179: ok 43667
179: ok 43668
179: ok 43669
179: ok 43670
179: ok 43671
179: ok 43672
179: ok 43673
179: ok 43674
179: ok 43675
179: ok 43676
179: ok 43677
179: ok 43678
179: ok 43679
179: ok 43680
179: ok 43681
179: ok 43682
179: ok 43683
179: ok 43684
179: ok 43685
179: ok 43686
179: ok 43687
179: ok 43688
179: ok 43689
179: ok 43690
179: ok 43691
179: ok 43692
179: ok 43693
179: ok 43694
179: ok 43695
179: ok 43696
179: ok 43697
179: ok 43698
179: ok 43699
179: ok 43700
179: ok 43701
179: ok 43702
179: ok 43703
179: ok 43704
179: ok 43705
179: ok 43706
179: ok 43707
179: ok 43708
179: ok 43709
179: ok 43710
179: ok 43711
179: ok 43712
179: ok 43713
179: ok 43714
179: ok 43715
179: ok 43716
179: ok 43717
179: ok 43718
179: ok 43719
179: ok 43720
179: ok 43721
179: ok 43722
179: ok 43723
179: ok 43724
179: ok 43725
179: ok 43726
179: ok 43727
179: ok 43728
179: ok 43729
179: ok 43730
179: ok 43731
179: ok 43732
179: ok 43733
179: ok 43734
179: ok 43735
179: ok 43736
179: ok 43737
179: ok 43738
179: ok 43739
179: ok 43740
179: ok 43741
179: ok 43742
179: ok 43743
179: ok 43744
179: ok 43745
179: ok 43746
179: ok 43747
179: ok 43748
179: ok 43749
179: ok 43750
179: ok 43751
179: ok 43752
179: ok 43753
179: ok 43754
179: ok 43755
179: ok 43756
179: ok 43757
179: ok 43758
179: ok 43759
179: ok 43760
179: ok 43761
179: ok 43762
179: ok 43763
179: ok 43764
179: ok 43765
179: ok 43766
179: ok 43767
179: ok 43768
179: ok 43769
179: ok 43770
179: ok 43771
179: ok 43772
179: ok 43773
179: ok 43774
179: ok 43775
179: ok 43776
179: ok 43777
179: ok 43778
179: ok 43779
179: ok 43780
179: ok 43781
179: ok 43782
179: ok 43783
179: ok 43784
179: ok 43785
179: ok 43786
179: ok 43787
179: ok 43788
179: ok 43789
179: ok 43790
179: ok 43791
179: ok 43792
179: ok 43793
179: ok 43794
179: ok 43795
179: ok 43796
179: ok 43797
179: ok 43798
179: ok 43799
179: ok 43800
179: ok 43801
179: ok 43802
179: ok 43803
179: ok 43804
179: ok 43805
179: ok 43806
179: ok 43807
179: ok 43808
179: ok 43809
179: ok 43810
179: ok 43811
179: ok 43812
179: ok 43813
179: ok 43814
179: ok 43815
179: ok 43816
179: ok 43817
179: ok 43818
179: ok 43819
179: ok 43820
179: ok 43821
179: ok 43822
179: ok 43823
179: ok 43824
179: ok 43825
179: ok 43826
179: ok 43827
179: ok 43828
179: ok 43829
179: ok 43830
179: ok 43831
179: ok 43832
179: ok 43833
179: ok 43834
179: ok 43835
179: ok 43836
179: ok 43837
179: ok 43838
179: ok 43839
179: ok 43840
179: ok 43841
179: ok 43842
179: ok 43843
179: ok 43844
179: ok 43845
179: ok 43846
179: ok 43847
179: ok 43848
179: ok 43849
179: ok 43850
179: ok 43851
179: ok 43852
179: ok 43853
179: ok 43854
179: ok 43855
179: ok 43856
179: ok 43857
179: ok 43858
179: ok 43859
179: ok 43860
179: ok 43861
179: ok 43862
179: ok 43863
179: ok 43864
179: ok 43865
179: ok 43866
179: ok 43867
179: ok 43868
179: ok 43869
179: ok 43870
179: ok 43871
179: ok 43872
179: ok 43873
179: ok 43874
179: ok 43875
179: ok 43876
179: ok 43877
179: ok 43878
179: ok 43879
179: ok 43880
179: ok 43881
179: ok 43882
179: ok 43883
179: ok 43884
179: ok 43885
179: ok 43886
179: ok 43887
179: ok 43888
179: ok 43889
179: ok 43890
179: ok 43891
179: ok 43892
179: ok 43893
179: ok 43894
179: ok 43895
179: ok 43896
179: ok 43897
179: ok 43898
179: ok 43899
179: ok 43900
179: ok 43901
179: ok 43902
179: ok 43903
179: ok 43904
179: ok 43905
179: ok 43906
179: ok 43907
179: ok 43908
179: ok 43909
179: ok 43910
179: ok 43911
179: ok 43912
179: ok 43913
179: ok 43914
179: ok 43915
179: ok 43916
179: ok 43917
179: ok 43918
179: ok 43919
179: ok 43920
179: ok 43921
179: ok 43922
179: ok 43923
179: ok 43924
179: ok 43925
179: ok 43926
179: ok 43927
179: ok 43928
179: ok 43929
179: ok 43930
179: ok 43931
179: ok 43932
179: ok 43933
179: ok 43934
179: ok 43935
179: ok 43936
179: ok 43937
179: ok 43938
179: ok 43939
179: ok 43940
179: ok 43941
179: ok 43942
179: ok 43943
179: ok 43944
179: ok 43945
179: ok 43946
179: ok 43947
179: ok 43948
179: ok 43949
179: ok 43950
179: ok 43951
179: ok 43952
179: ok 43953
179: ok 43954
179: ok 43955
179: ok 43956
179: ok 43957
179: ok 43958
179: ok 43959
179: ok 43960
179: ok 43961
179: ok 43962
179: ok 43963
179: ok 43964
179: ok 43965
179: ok 43966
179: ok 43967
179: ok 43968
179: ok 43969
179: ok 43970
179: ok 43971
179: ok 43972
179: ok 43973
179: ok 43974
179: ok 43975
179: ok 43976
179: ok 43977
179: ok 43978
179: ok 43979
179: ok 43980
179: ok 43981
179: ok 43982
179: ok 43983
179: ok 43984
179: ok 43985
179: ok 43986
179: ok 43987
179: ok 43988
179: ok 43989
179: ok 43990
179: ok 43991
179: ok 43992
179: ok 43993
179: ok 43994
179: ok 43995
179: ok 43996
179: ok 43997
179: ok 43998
179: ok 43999
179: ok 44000
179: ok 44001
179: ok 44002
179: ok 44003
179: ok 44004
179: ok 44005
179: ok 44006
179: ok 44007
179: ok 44008
179: ok 44009
179: ok 44010
179: ok 44011
179: ok 44012
179: ok 44013
179: ok 44014
179: ok 44015
179: ok 44016
179: ok 44017
179: ok 44018
179: ok 44019
179: ok 44020
179: ok 44021
179: ok 44022
179: ok 44023
179: ok 44024
179: ok 44025
179: ok 44026
179: ok 44027
179: ok 44028
179: ok 44029
179: ok 44030
179: ok 44031
179: ok 44032
179: ok 44033
179: ok 44034
179: ok 44035
179: ok 44036
179: ok 44037
179: ok 44038
179: ok 44039
179: ok 44040
179: ok 44041
179: ok 44042
179: ok 44043
179: ok 44044
179: ok 44045
179: ok 44046
179: ok 44047
179: ok 44048
179: ok 44049
179: ok 44050
179: ok 44051
179: ok 44052
179: ok 44053
179: ok 44054
179: ok 44055
179: ok 44056
179: ok 44057
179: ok 44058
179: ok 44059
179: ok 44060
179: ok 44061
179: ok 44062
179: ok 44063
179: ok 44064
179: ok 44065
179: ok 44066
179: ok 44067
179: ok 44068
179: ok 44069
179: ok 44070
179: ok 44071
179: ok 44072
179: ok 44073
179: ok 44074
179: ok 44075
179: ok 44076
179: ok 44077
179: ok 44078
179: ok 44079
179: ok 44080
179: ok 44081
179: ok 44082
179: ok 44083
179: ok 44084
179: ok 44085
179: ok 44086
179: ok 44087
179: ok 44088
179: ok 44089
179: ok 44090
179: ok 44091
179: ok 44092
179: ok 44093
179: ok 44094
179: ok 44095
179: ok 44096
179: ok 44097
179: ok 44098
179: ok 44099
179: ok 44100
179: ok 44101
179: ok 44102
179: ok 44103
179: ok 44104
179: ok 44105
179: ok 44106
179: ok 44107
179: ok 44108
179: ok 44109
179: ok 44110
179: ok 44111
179: ok 44112
179: ok 44113
179: ok 44114
179: ok 44115
179: ok 44116
179: ok 44117
179: ok 44118
179: ok 44119
179: ok 44120
179: ok 44121
179: ok 44122
179: ok 44123
179: ok 44124
179: ok 44125
179: ok 44126
179: ok 44127
179: ok 44128
179: ok 44129
179: ok 44130
179: ok 44131
179: ok 44132
179: ok 44133
179: ok 44134
179: ok 44135
179: ok 44136
179: ok 44137
179: ok 44138
179: ok 44139
179: ok 44140
179: ok 44141
179: ok 44142
179: ok 44143
179: ok 44144
179: ok 44145
179: ok 44146
179: ok 44147
179: ok 44148
179: ok 44149
179: ok 44150
179: ok 44151
179: ok 44152
179: ok 44153
179: ok 44154
179: ok 44155
179: ok 44156
179: ok 44157
179: ok 44158
179: ok 44159
179: ok 44160
179: ok 44161
179: ok 44162
179: ok 44163
179: ok 44164
179: ok 44165
179: ok 44166
179: ok 44167
179: ok 44168
179: ok 44169
179: ok 44170
179: ok 44171
179: ok 44172
179: ok 44173
179: ok 44174
179: ok 44175
179: ok 44176
179: ok 44177
179: ok 44178
179: ok 44179
179: ok 44180
179: ok 44181
179: ok 44182
179: ok 44183
179: ok 44184
179: ok 44185
179: ok 44186
179: ok 44187
179: ok 44188
179: ok 44189
179: ok 44190
179: ok 44191
179: ok 44192
179: ok 44193
179: ok 44194
179: ok 44195
179: ok 44196
179: ok 44197
179: ok 44198
179: ok 44199
179: ok 44200
179: ok 44201
179: ok 44202
179: ok 44203
179: ok 44204
179: ok 44205
179: ok 44206
179: ok 44207
179: ok 44208
179: ok 44209
179: ok 44210
179: ok 44211
179: ok 44212
179: ok 44213
179: ok 44214
179: ok 44215
179: ok 44216
179: ok 44217
179: ok 44218
179: ok 44219
179: ok 44220
179: ok 44221
179: ok 44222
179: ok 44223
179: ok 44224
179: ok 44225
179: ok 44226
179: ok 44227
179: ok 44228
179: ok 44229
179: ok 44230
179: ok 44231
179: ok 44232
179: ok 44233
179: ok 44234
179: ok 44235
179: ok 44236
179: ok 44237
179: ok 44238
179: ok 44239
179: ok 44240
179: ok 44241
179: ok 44242
179: ok 44243
179: ok 44244
179: ok 44245
179: ok 44246
179: ok 44247
179: ok 44248
179: ok 44249
179: ok 44250
179: ok 44251
179: ok 44252
179: ok 44253
179: ok 44254
179: ok 44255
179: ok 44256
179: ok 44257
179: ok 44258
179: ok 44259
179: ok 44260
179: ok 44261
179: ok 44262
179: ok 44263
179: ok 44264
179: ok 44265
179: ok 44266
179: ok 44267
179: ok 44268
179: ok 44269
179: ok 44270
179: ok 44271
179: ok 44272
179: ok 44273
179: ok 44274
179: ok 44275
179: ok 44276
179: ok 44277
179: ok 44278
179: ok 44279
179: ok 44280
179: ok 44281
179: ok 44282
179: ok 44283
179: ok 44284
179: ok 44285
179: ok 44286
179: ok 44287
179: ok 44288
179: ok 44289
179: ok 44290
179: ok 44291
179: ok 44292
179: ok 44293
179: ok 44294
179: ok 44295
179: ok 44296
179: ok 44297
179: ok 44298
179: ok 44299
179: ok 44300
179: ok 44301
179: ok 44302
179: ok 44303
179: ok 44304
179: ok 44305
179: ok 44306
179: ok 44307
179: ok 44308
179: ok 44309
179: ok 44310
179: ok 44311
179: ok 44312
179: ok 44313
179: ok 44314
179: ok 44315
179: ok 44316
179: ok 44317
179: ok 44318
179: ok 44319
179: ok 44320
179: ok 44321
179: ok 44322
179: ok 44323
179: ok 44324
179: ok 44325
179: ok 44326
179: ok 44327
179: ok 44328
179: ok 44329
179: ok 44330
179: ok 44331
179: ok 44332
179: ok 44333
179: ok 44334
179: ok 44335
179: ok 44336
179: ok 44337
179: ok 44338
179: ok 44339
179: ok 44340
179: ok 44341
179: ok 44342
179: ok 44343
179: ok 44344
179: ok 44345
179: ok 44346
179: ok 44347
179: ok 44348
179: ok 44349
179: ok 44350
179: ok 44351
179: ok 44352
179: ok 44353
179: ok 44354
179: ok 44355
179: ok 44356
179: ok 44357
179: ok 44358
179: ok 44359
179: ok 44360
179: ok 44361
179: ok 44362
179: ok 44363
179: ok 44364
179: ok 44365
179: ok 44366
179: ok 44367
179: ok 44368
179: ok 44369
179: ok 44370
179: ok 44371
179: ok 44372
179: ok 44373
179: ok 44374
179: ok 44375
179: ok 44376
179: ok 44377
179: ok 44378
179: ok 44379
179: ok 44380
179: ok 44381
179: ok 44382
179: ok 44383
179: ok 44384
179: ok 44385
179: ok 44386
179: ok 44387
179: ok 44388
179: ok 44389
179: ok 44390
179: ok 44391
179: ok 44392
179: ok 44393
179: ok 44394
179: ok 44395
179: ok 44396
179: ok 44397
179: ok 44398
179: ok 44399
179: ok 44400
179: ok 44401
179: ok 44402
179: ok 44403
179: ok 44404
179: ok 44405
179: ok 44406
179: ok 44407
179: ok 44408
179: ok 44409
179: ok 44410
179: ok 44411
179: ok 44412
179: ok 44413
179: ok 44414
179: ok 44415
179: ok 44416
179: ok 44417
179: ok 44418
179: ok 44419
179: ok 44420
179: ok 44421
179: ok 44422
179: ok 44423
179: ok 44424
179: ok 44425
179: ok 44426
179: ok 44427
179: ok 44428
179: ok 44429
179: ok 44430
179: ok 44431
179: ok 44432
179: ok 44433
179: ok 44434
179: ok 44435
179: ok 44436
179: ok 44437
179: ok 44438
179: ok 44439
179: ok 44440
179: ok 44441
179: ok 44442
179: ok 44443
179: ok 44444
179: ok 44445
179: ok 44446
179: ok 44447
179: ok 44448
179: ok 44449
179: ok 44450
179: ok 44451
179: ok 44452
179: ok 44453
179: ok 44454
179: ok 44455
179: ok 44456
179: ok 44457
179: ok 44458
179: ok 44459
179: ok 44460
179: ok 44461
179: ok 44462
179: ok 44463
179: ok 44464
179: ok 44465
179: ok 44466
179: ok 44467
179: ok 44468
179: ok 44469
179: ok 44470
179: ok 44471
179: ok 44472
179: ok 44473
179: ok 44474
179: ok 44475
179: ok 44476
179: ok 44477
179: ok 44478
179: ok 44479
179: ok 44480
179: ok 44481
179: ok 44482
179: ok 44483
179: ok 44484
179: ok 44485
179: ok 44486
179: ok 44487
179: ok 44488
179: ok 44489
179: ok 44490
179: ok 44491
179: ok 44492
179: ok 44493
179: ok 44494
179: ok 44495
179: ok 44496
179: ok 44497
179: ok 44498
179: ok 44499
179: ok 44500
179: ok 44501
179: ok 44502
179: ok 44503
179: ok 44504
179: ok 44505
179: ok 44506
179: ok 44507
179: ok 44508
179: ok 44509
179: ok 44510
179: ok 44511
179: ok 44512
179: ok 44513
179: ok 44514
179: ok 44515
179: ok 44516
179: ok 44517
179: ok 44518
179: ok 44519
179: ok 44520
179: ok 44521
179: ok 44522
179: ok 44523
179: ok 44524
179: ok 44525
179: ok 44526
179: ok 44527
179: ok 44528
179: ok 44529
179: ok 44530
179: ok 44531
179: ok 44532
179: ok 44533
179: ok 44534
179: ok 44535
179: ok 44536
179: ok 44537
179: ok 44538
179: ok 44539
179: ok 44540
179: ok 44541
179: ok 44542
179: ok 44543
179: ok 44544
179: ok 44545
179: ok 44546
179: ok 44547
179: ok 44548
179: ok 44549
179: ok 44550
179: ok 44551
179: ok 44552
179: ok 44553
179: ok 44554
179: ok 44555
179: ok 44556
179: ok 44557
179: ok 44558
179: ok 44559
179: ok 44560
179: ok 44561
179: ok 44562
179: ok 44563
179: ok 44564
179: ok 44565
179: ok 44566
179: ok 44567
179: ok 44568
179: ok 44569
179: ok 44570
179: ok 44571
179: ok 44572
179: ok 44573
179: ok 44574
179: ok 44575
179: ok 44576
179: ok 44577
179: ok 44578
179: ok 44579
179: ok 44580
179: ok 44581
179: ok 44582
179: ok 44583
179: ok 44584
179: ok 44585
179: ok 44586
179: ok 44587
179: ok 44588
179: ok 44589
179: ok 44590
179: ok 44591
179: ok 44592
179: ok 44593
179: ok 44594
179: ok 44595
179: ok 44596
179: ok 44597
179: ok 44598
179: ok 44599
179: ok 44600
179: ok 44601
179: ok 44602
179: ok 44603
179: ok 44604
179: ok 44605
179: ok 44606
179: ok 44607
179: ok 44608
179: ok 44609
179: ok 44610
179: ok 44611
179: ok 44612
179: ok 44613
179: ok 44614
179: ok 44615
179: ok 44616
179: ok 44617
179: ok 44618
179: ok 44619
179: ok 44620
179: ok 44621
179: ok 44622
179: ok 44623
179: ok 44624
179: ok 44625
179: ok 44626
179: ok 44627
179: ok 44628
179: ok 44629
179: ok 44630
179: ok 44631
179: ok 44632
179: ok 44633
179: ok 44634
179: ok 44635
179: ok 44636
179: ok 44637
179: ok 44638
179: ok 44639
179: ok 44640
179: ok 44641
179: ok 44642
179: ok 44643
179: ok 44644
179: ok 44645
179: ok 44646
179: ok 44647
179: ok 44648
179: ok 44649
179: ok 44650
179: ok 44651
179: ok 44652
179: ok 44653
179: ok 44654
179: ok 44655
179: ok 44656
179: ok 44657
179: ok 44658
179: ok 44659
179: ok 44660
179: ok 44661
179: ok 44662
179: ok 44663
179: ok 44664
179: ok 44665
179: ok 44666
179: ok 44667
179: ok 44668
179: ok 44669
179: ok 44670
179: ok 44671
179: ok 44672
179: ok 44673
179: ok 44674
179: ok 44675
179: ok 44676
179: ok 44677
179: ok 44678
179: ok 44679
179: ok 44680
179: ok 44681
179: ok 44682
179: ok 44683
179: ok 44684
179: ok 44685
179: ok 44686
179: ok 44687
179: ok 44688
179: ok 44689
179: ok 44690
179: ok 44691
179: ok 44692
179: ok 44693
179: ok 44694
179: ok 44695
179: ok 44696
179: ok 44697
179: ok 44698
179: ok 44699
179: ok 44700
179: ok 44701
179: ok 44702
179: ok 44703
179: ok 44704
179: ok 44705
179: ok 44706
179: ok 44707
179: ok 44708
179: ok 44709
179: ok 44710
179: ok 44711
179: ok 44712
179: ok 44713
179: ok 44714
179: ok 44715
179: ok 44716
179: ok 44717
179: ok 44718
179: ok 44719
179: ok 44720
179: ok 44721
179: ok 44722
179: ok 44723
179: ok 44724
179: ok 44725
179: ok 44726
179: ok 44727
179: ok 44728
179: ok 44729
179: ok 44730
179: ok 44731
179: ok 44732
179: ok 44733
179: ok 44734
179: ok 44735
179: ok 44736
179: ok 44737
179: ok 44738
179: ok 44739
179: ok 44740
179: ok 44741
179: ok 44742
179: ok 44743
179: ok 44744
179: ok 44745
179: ok 44746
179: ok 44747
179: ok 44748
179: ok 44749
179: ok 44750
179: ok 44751
179: ok 44752
179: ok 44753
179: ok 44754
179: ok 44755
179: ok 44756
179: ok 44757
179: ok 44758
179: ok 44759
179: ok 44760
179: ok 44761
179: ok 44762
179: ok 44763
179: ok 44764
179: ok 44765
179: ok 44766
179: ok 44767
179: ok 44768
179: ok 44769
179: ok 44770
179: ok 44771
179: ok 44772
179: ok 44773
179: ok 44774
179: ok 44775
179: ok 44776
179: ok 44777
179: ok 44778
179: ok 44779
179: ok 44780
179: ok 44781
179: ok 44782
179: ok 44783
179: ok 44784
179: ok 44785
179: ok 44786
179: ok 44787
179: ok 44788
179: ok 44789
179: ok 44790
179: ok 44791
179: ok 44792
179: ok 44793
179: ok 44794
179: ok 44795
179: ok 44796
179: ok 44797
179: ok 44798
179: ok 44799
179: ok 44800
179: ok 44801
179: ok 44802
179: ok 44803
179: ok 44804
179: ok 44805
179: ok 44806
179: ok 44807
179: ok 44808
179: ok 44809
179: ok 44810
179: ok 44811
179: ok 44812
179: ok 44813
179: ok 44814
179: ok 44815
179: ok 44816
179: ok 44817
179: ok 44818
179: ok 44819
179: ok 44820
179: ok 44821
179: ok 44822
179: ok 44823
179: ok 44824
179: ok 44825
179: ok 44826
179: ok 44827
179: ok 44828
179: ok 44829
179: ok 44830
179: ok 44831
179: ok 44832
179: ok 44833
179: ok 44834
179: ok 44835
179: ok 44836
179: ok 44837
179: ok 44838
179: ok 44839
179: ok 44840
179: ok 44841
179: ok 44842
179: ok 44843
179: ok 44844
179: ok 44845
179: ok 44846
179: ok 44847
179: ok 44848
179: ok 44849
179: ok 44850
179: ok 44851
179: ok 44852
179: ok 44853
179: ok 44854
179: ok 44855
179: ok 44856
179: ok 44857
179: ok 44858
179: ok 44859
179: ok 44860
179: ok 44861
179: ok 44862
179: ok 44863
179: ok 44864
179: ok 44865
179: ok 44866
179: ok 44867
179: ok 44868
179: ok 44869
179: ok 44870
179: ok 44871
179: ok 44872
179: ok 44873
179: ok 44874
179: ok 44875
179: ok 44876
179: ok 44877
179: ok 44878
179: ok 44879
179: ok 44880
179: ok 44881
179: ok 44882
179: ok 44883
179: ok 44884
179: ok 44885
179: ok 44886
179: ok 44887
179: ok 44888
179: ok 44889
179: ok 44890
179: ok 44891
179: ok 44892
179: ok 44893
179: ok 44894
179: ok 44895
179: ok 44896
179: ok 44897
179: ok 44898
179: ok 44899
179: ok 44900
179: ok 44901
179: ok 44902
179: ok 44903
179: ok 44904
179: ok 44905
179: ok 44906
179: ok 44907
179: ok 44908
179: ok 44909
179: ok 44910
179: ok 44911
179: ok 44912
179: ok 44913
179: ok 44914
179: ok 44915
179: ok 44916
179: ok 44917
179: ok 44918
179: ok 44919
179: ok 44920
179: ok 44921
179: ok 44922
179: ok 44923
179: ok 44924
179: ok 44925
179: ok 44926
179: ok 44927
179: ok 44928
179: ok 44929
179: ok 44930
179: ok 44931
179: ok 44932
179: ok 44933
179: ok 44934
179: ok 44935
179: ok 44936
179: ok 44937
179: ok 44938
179: ok 44939
179: ok 44940
179: ok 44941
179: ok 44942
179: ok 44943
179: ok 44944
179: ok 44945
179: ok 44946
179: ok 44947
179: ok 44948
179: ok 44949
179: ok 44950
179: ok 44951
179: ok 44952
179: ok 44953
179: ok 44954
179: ok 44955
179: ok 44956
179: ok 44957
179: ok 44958
179: ok 44959
179: ok 44960
179: ok 44961
179: ok 44962
179: ok 44963
179: ok 44964
179: ok 44965
179: ok 44966
179: ok 44967
179: ok 44968
179: ok 44969
179: ok 44970
179: ok 44971
179: ok 44972
179: ok 44973
179: ok 44974
179: ok 44975
179: ok 44976
179: ok 44977
179: ok 44978
179: ok 44979
179: ok 44980
179: ok 44981
179: ok 44982
179: ok 44983
179: ok 44984
179: ok 44985
179: ok 44986
179: ok 44987
179: ok 44988
179: ok 44989
179: ok 44990
179: ok 44991
179: ok 44992
179: ok 44993
179: ok 44994
179: ok 44995
179: ok 44996
179: ok 44997
179: ok 44998
179: ok 44999
179: ok 45000
179: ok 45001
179: ok 45002
179: ok 45003
179: ok 45004
179: ok 45005
179: ok 45006
179: ok 45007
179: ok 45008
179: ok 45009
179: ok 45010
179: ok 45011
179: ok 45012
179: ok 45013
179: ok 45014
179: ok 45015
179: ok 45016
179: ok 45017
179: ok 45018
179: ok 45019
179: ok 45020
179: ok 45021
179: ok 45022
179: ok 45023
179: ok 45024
179: ok 45025
179: ok 45026
179: ok 45027
179: ok 45028
179: ok 45029
179: ok 45030
179: ok 45031
179: ok 45032
179: ok 45033
179: ok 45034
179: ok 45035
179: ok 45036
179: ok 45037
179: ok 45038
179: ok 45039
179: ok 45040
179: ok 45041
179: ok 45042
179: ok 45043
179: ok 45044
179: ok 45045
179: ok 45046
179: ok 45047
179: ok 45048
179: ok 45049
179: ok 45050
179: ok 45051
179: ok 45052
179: ok 45053
179: ok 45054
179: ok 45055
179: ok 45056
179: ok 45057
179: ok 45058
179: ok 45059
179: ok 45060
179: ok 45061
179: ok 45062
179: ok 45063
179: ok 45064
179: ok 45065
179: ok 45066
179: ok 45067
179: ok 45068
179: ok 45069
179: ok 45070
179: ok 45071
179: ok 45072
179: ok 45073
179: ok 45074
179: ok 45075
179: ok 45076
179: ok 45077
179: ok 45078
179: ok 45079
179: ok 45080
179: ok 45081
179: ok 45082
179: ok 45083
179: ok 45084
179: ok 45085
179: ok 45086
179: ok 45087
179: ok 45088
179: ok 45089
179: ok 45090
179: ok 45091
179: ok 45092
179: ok 45093
179: ok 45094
179: ok 45095
179: ok 45096
179: ok 45097
179: ok 45098
179: ok 45099
179: ok 45100
179: ok 45101
179: ok 45102
179: ok 45103
179: ok 45104
179: ok 45105
179: ok 45106
179: ok 45107
179: ok 45108
179: ok 45109
179: ok 45110
179: ok 45111
179: ok 45112
179: ok 45113
179: ok 45114
179: ok 45115
179: ok 45116
179: ok 45117
179: ok 45118
179: ok 45119
179: ok 45120
179: ok 45121
179: ok 45122
179: ok 45123
179: ok 45124
179: ok 45125
179: ok 45126
179: ok 45127
179: ok 45128
179: ok 45129
179: ok 45130
179: ok 45131
179: ok 45132
179: ok 45133
179: ok 45134
179: ok 45135
179: ok 45136
179: ok 45137
179: ok 45138
179: ok 45139
179: ok 45140
179: ok 45141
179: ok 45142
179: ok 45143
179: ok 45144
179: ok 45145
179: ok 45146
179: ok 45147
179: ok 45148
179: ok 45149
179: ok 45150
179: ok 45151
179: ok 45152
179: ok 45153
179: ok 45154
179: ok 45155
179: ok 45156
179: ok 45157
179: ok 45158
179: ok 45159
179: ok 45160
179: ok 45161
179: ok 45162
179: ok 45163
179: ok 45164
179: ok 45165
179: ok 45166
179: ok 45167
179: ok 45168
179: ok 45169
179: ok 45170
179: ok 45171
179: ok 45172
179: ok 45173
179: ok 45174
179: ok 45175
179: ok 45176
179: ok 45177
179: ok 45178
179: ok 45179
179: ok 45180
179: ok 45181
179: ok 45182
179: ok 45183
179: ok 45184
179: ok 45185
179: ok 45186
179: ok 45187
179: ok 45188
179: ok 45189
179: ok 45190
179: ok 45191
179: ok 45192
179: ok 45193
179: ok 45194
179: ok 45195
179: ok 45196
179: ok 45197
179: ok 45198
179: ok 45199
179: ok 45200
179: ok 45201
179: ok 45202
179: ok 45203
179: ok 45204
179: ok 45205
179: ok 45206
179: ok 45207
179: ok 45208
179: ok 45209
179: ok 45210
179: ok 45211
179: ok 45212
179: ok 45213
179: ok 45214
179: ok 45215
179: ok 45216
179: ok 45217
179: ok 45218
179: ok 45219
179: ok 45220
179: ok 45221
179: ok 45222
179: ok 45223
179: ok 45224
179: ok 45225
179: ok 45226
179: ok 45227
179: ok 45228
179: ok 45229
179: ok 45230
179: ok 45231
179: ok 45232
179: ok 45233
179: ok 45234
179: ok 45235
179: ok 45236
179: ok 45237
179: ok 45238
179: ok 45239
179: ok 45240
179: ok 45241
179: ok 45242
179: ok 45243
179: ok 45244
179: ok 45245
179: ok 45246
179: ok 45247
179: ok 45248
179: ok 45249
179: ok 45250
179: ok 45251
179: ok 45252
179: ok 45253
179: ok 45254
179: ok 45255
179: ok 45256
179: ok 45257
179: ok 45258
179: ok 45259
179: ok 45260
179: ok 45261
179: ok 45262
179: ok 45263
179: ok 45264
179: ok 45265
179: ok 45266
179: ok 45267
179: ok 45268
179: ok 45269
179: ok 45270
179: ok 45271
179: ok 45272
179: ok 45273
179: ok 45274
179: ok 45275
179: ok 45276
179: ok 45277
179: ok 45278
179: ok 45279
179: ok 45280
179: ok 45281
179: ok 45282
179: ok 45283
179: ok 45284
179: ok 45285
179: ok 45286
179: ok 45287
179: ok 45288
179: ok 45289
179: ok 45290
179: ok 45291
179: ok 45292
179: ok 45293
179: ok 45294
179: ok 45295
179: ok 45296
179: ok 45297
179: ok 45298
179: ok 45299
179: ok 45300
179: ok 45301
179: ok 45302
179: ok 45303
179: ok 45304
179: ok 45305
179: ok 45306
179: ok 45307
179: ok 45308
179: ok 45309
179: ok 45310
179: ok 45311
179: ok 45312
179: ok 45313
179: ok 45314
179: ok 45315
179: ok 45316
179: ok 45317
179: ok 45318
179: ok 45319
179: ok 45320
179: ok 45321
179: ok 45322
179: ok 45323
179: ok 45324
179: ok 45325
179: ok 45326
179: ok 45327
179: ok 45328
179: ok 45329
179: ok 45330
179: ok 45331
179: ok 45332
179: ok 45333
179: ok 45334
179: ok 45335
179: ok 45336
179: ok 45337
179: ok 45338
179: ok 45339
179: ok 45340
179: ok 45341
179: ok 45342
179: ok 45343
179: ok 45344
179: ok 45345
179: ok 45346
179: ok 45347
179: ok 45348
179: ok 45349
179: ok 45350
179: ok 45351
179: ok 45352
179: ok 45353
179: ok 45354
179: ok 45355
179: ok 45356
179: ok 45357
179: ok 45358
179: ok 45359
179: ok 45360
179: ok 45361
179: ok 45362
179: ok 45363
179: ok 45364
179: ok 45365
179: ok 45366
179: ok 45367
179: ok 45368
179: ok 45369
179: ok 45370
179: ok 45371
179: ok 45372
179: ok 45373
179: ok 45374
179: ok 45375
179: ok 45376
179: ok 45377
179: ok 45378
179: ok 45379
179: ok 45380
179: ok 45381
179: ok 45382
179: ok 45383
179: ok 45384
179: ok 45385
179: ok 45386
179: ok 45387
179: ok 45388
179: ok 45389
179: ok 45390
179: ok 45391
179: ok 45392
179: ok 45393
179: ok 45394
179: ok 45395
179: ok 45396
179: ok 45397
179: ok 45398
179: ok 45399
179: ok 45400
179: ok 45401
179: ok 45402
179: ok 45403
179: ok 45404
179: ok 45405
179: ok 45406
179: ok 45407
179: ok 45408
179: ok 45409
179: ok 45410
179: ok 45411
179: ok 45412
179: ok 45413
179: ok 45414
179: ok 45415
179: ok 45416
179: ok 45417
179: ok 45418
179: ok 45419
179: ok 45420
179: ok 45421
179: ok 45422
179: ok 45423
179: ok 45424
179: ok 45425
179: ok 45426
179: ok 45427
179: ok 45428
179: ok 45429
179: ok 45430
179: ok 45431
179: ok 45432
179: ok 45433
179: ok 45434
179: ok 45435
179: ok 45436
179: ok 45437
179: ok 45438
179: ok 45439
179: ok 45440
179: ok 45441
179: ok 45442
179: ok 45443
179: ok 45444
179: ok 45445
179: ok 45446
179: ok 45447
179: ok 45448
179: ok 45449
179: ok 45450
179: ok 45451
179: ok 45452
179: ok 45453
179: ok 45454
179: ok 45455
179: ok 45456
179: ok 45457
179: ok 45458
179: ok 45459
179: ok 45460
179: ok 45461
179: ok 45462
179: ok 45463
179: ok 45464
179: ok 45465
179: ok 45466
179: ok 45467
179: ok 45468
179: ok 45469
179: ok 45470
179: ok 45471
179: ok 45472
179: ok 45473
179: ok 45474
179: ok 45475
179: ok 45476
179: ok 45477
179: ok 45478
179: ok 45479
179: ok 45480
179: ok 45481
179: ok 45482
179: ok 45483
179: ok 45484
179: ok 45485
179: ok 45486
179: ok 45487
179: ok 45488
179: ok 45489
179: ok 45490
179: ok 45491
179: ok 45492
179: ok 45493
179: ok 45494
179: ok 45495
179: ok 45496
179: ok 45497
179: ok 45498
179: ok 45499
179: ok 45500
179: ok 45501
179: ok 45502
179: ok 45503
179: ok 45504
179: ok 45505
179: ok 45506
179: ok 45507
179: ok 45508
179: ok 45509
179: ok 45510
179: ok 45511
179: ok 45512
179: ok 45513
179: ok 45514
179: ok 45515
179: ok 45516
179: ok 45517
179: ok 45518
179: ok 45519
179: ok 45520
179: ok 45521
179: ok 45522
179: ok 45523
179: ok 45524
179: ok 45525
179: ok 45526
179: ok 45527
179: ok 45528
179: ok 45529
179: ok 45530
179: ok 45531
179: ok 45532
179: ok 45533
179: ok 45534
179: ok 45535
179: ok 45536
179: ok 45537
179: ok 45538
179: ok 45539
179: ok 45540
179: ok 45541
179: ok 45542
179: ok 45543
179: ok 45544
179: ok 45545
179: ok 45546
179: ok 45547
179: ok 45548
179: ok 45549
179: ok 45550
179: ok 45551
179: ok 45552
179: ok 45553
179: ok 45554
179: ok 45555
179: ok 45556
179: ok 45557
179: ok 45558
179: ok 45559
179: ok 45560
179: ok 45561
179: ok 45562
179: ok 45563
179: ok 45564
179: ok 45565
179: ok 45566
179: ok 45567
179: ok 45568
179: ok 45569
179: ok 45570
179: ok 45571
179: ok 45572
179: ok 45573
179: ok 45574
179: ok 45575
179: ok 45576
179: ok 45577
179: ok 45578
179: ok 45579
179: ok 45580
179: ok 45581
179: ok 45582
179: ok 45583
179: ok 45584
179: ok 45585
179: ok 45586
179: ok 45587
179: ok 45588
179: ok 45589
179: ok 45590
179: ok 45591
179: ok 45592
179: ok 45593
179: ok 45594
179: ok 45595
179: ok 45596
179: ok 45597
179: ok 45598
179: ok 45599
179: ok 45600
179: ok 45601
179: ok 45602
179: ok 45603
179: ok 45604
179: ok 45605
179: ok 45606
179: ok 45607
179: ok 45608
179: ok 45609
179: ok 45610
179: ok 45611
179: ok 45612
179: ok 45613
179: ok 45614
179: ok 45615
179: ok 45616
179: ok 45617
179: ok 45618
179: ok 45619
179: ok 45620
179: ok 45621
179: ok 45622
179: ok 45623
179: ok 45624
179: ok 45625
179: ok 45626
179: ok 45627
179: ok 45628
179: ok 45629
179: ok 45630
179: ok 45631
179: ok 45632
179: ok 45633
179: ok 45634
179: ok 45635
179: ok 45636
179: ok 45637
179: ok 45638
179: ok 45639
179: ok 45640
179: ok 45641
179: ok 45642
179: ok 45643
179: ok 45644
179: ok 45645
179: ok 45646
179: ok 45647
179: ok 45648
179: ok 45649
179: ok 45650
179: ok 45651
179: ok 45652
179: ok 45653
179: ok 45654
179: ok 45655
179: ok 45656
179: ok 45657
179: ok 45658
179: ok 45659
179: ok 45660
179: ok 45661
179: ok 45662
179: ok 45663
179: ok 45664
179: ok 45665
179: ok 45666
179: ok 45667
179: ok 45668
179: ok 45669
179: ok 45670
179: ok 45671
179: ok 45672
179: ok 45673
179: ok 45674
179: ok 45675
179: ok 45676
179: ok 45677
179: ok 45678
179: ok 45679
179: ok 45680
179: ok 45681
179: ok 45682
179: ok 45683
179: ok 45684
179: ok 45685
179: ok 45686
179: ok 45687
179: ok 45688
179: ok 45689
179: ok 45690
179: ok 45691
179: ok 45692
179: ok 45693
179: ok 45694
179: ok 45695
179: ok 45696
179: ok 45697
179: ok 45698
179: ok 45699
179: ok 45700
179: ok 45701
179: ok 45702
179: ok 45703
179: ok 45704
179: ok 45705
179: ok 45706
179: ok 45707
179: ok 45708
179: ok 45709
179: ok 45710
179: ok 45711
179: ok 45712
179: ok 45713
179: ok 45714
179: ok 45715
179: ok 45716
179: ok 45717
179: ok 45718
179: ok 45719
179: ok 45720
179: ok 45721
179: ok 45722
179: ok 45723
179: ok 45724
179: ok 45725
179: ok 45726
179: ok 45727
179: ok 45728
179: ok 45729
179: ok 45730
179: ok 45731
179: ok 45732
179: ok 45733
179: ok 45734
179: ok 45735
179: ok 45736
179: ok 45737
179: ok 45738
179: ok 45739
179: ok 45740
179: ok 45741
179: ok 45742
179: ok 45743
179: ok 45744
179: ok 45745
179: ok 45746
179: ok 45747
179: ok 45748
179: ok 45749
179: ok 45750
179: ok 45751
179: ok 45752
179: ok 45753
179: ok 45754
179: ok 45755
179: ok 45756
179: ok 45757
179: ok 45758
179: ok 45759
179: ok 45760
179: ok 45761
179: ok 45762
179: ok 45763
179: ok 45764
179: ok 45765
179: ok 45766
179: ok 45767
179: ok 45768
179: ok 45769
179: ok 45770
179: ok 45771
179: ok 45772
179: ok 45773
179: ok 45774
179: ok 45775
179: ok 45776
179: ok 45777
179: ok 45778
179: ok 45779
179: ok 45780
179: ok 45781
179: ok 45782
179: ok 45783
179: ok 45784
179: ok 45785
179: ok 45786
179: ok 45787
179: ok 45788
179: ok 45789
179: ok 45790
179: ok 45791
179: ok 45792
179: ok 45793
179: ok 45794
179: ok 45795
179: ok 45796
179: ok 45797
179: ok 45798
179: ok 45799
179: ok 45800
179: ok 45801
179: ok 45802
179: ok 45803
179: ok 45804
179: ok 45805
179: ok 45806
179: ok 45807
179: ok 45808
179: ok 45809
179: ok 45810
179: ok 45811
179: ok 45812
179: ok 45813
179: ok 45814
179: ok 45815
179: ok 45816
179: ok 45817
179: ok 45818
179: ok 45819
179: ok 45820
179: ok 45821
179: ok 45822
179: ok 45823
179: ok 45824
179: ok 45825
179: ok 45826
179: ok 45827
179: ok 45828
179: ok 45829
179: ok 45830
179: ok 45831
179: ok 45832
179: ok 45833
179: ok 45834
179: ok 45835
179: ok 45836
179: ok 45837
179: ok 45838
179: ok 45839
179: ok 45840
179: ok 45841
179: ok 45842
179: ok 45843
179: ok 45844
179: ok 45845
179: ok 45846
179: ok 45847
179: ok 45848
179: ok 45849
179: ok 45850
179: ok 45851
179: ok 45852
179: ok 45853
179: ok 45854
179: ok 45855
179: ok 45856
179: ok 45857
179: ok 45858
179: ok 45859
179: ok 45860
179: ok 45861
179: ok 45862
179: ok 45863
179: ok 45864
179: ok 45865
179: ok 45866
179: ok 45867
179: ok 45868
179: ok 45869
179: ok 45870
179: ok 45871
179: ok 45872
179: ok 45873
179: ok 45874
179: ok 45875
179: ok 45876
179: ok 45877
179: ok 45878
179: ok 45879
179: ok 45880
179: ok 45881
179: ok 45882
179: ok 45883
179: ok 45884
179: ok 45885
179: ok 45886
179: ok 45887
179: ok 45888
179: ok 45889
179: ok 45890
179: ok 45891
179: ok 45892
179: ok 45893
179: ok 45894
179: ok 45895
179: ok 45896
179: ok 45897
179: ok 45898
179: ok 45899
179: ok 45900
179: ok 45901
179: ok 45902
179: ok 45903
179: ok 45904
179: ok 45905
179: ok 45906
179: ok 45907
179: ok 45908
179: ok 45909
179: ok 45910
179: ok 45911
179: ok 45912
179: ok 45913
179: ok 45914
179: ok 45915
179: ok 45916
179: ok 45917
179: ok 45918
179: ok 45919
179: ok 45920
179: ok 45921
179: ok 45922
179: ok 45923
179: ok 45924
179: ok 45925
179: ok 45926
179: ok 45927
179: ok 45928
179: ok 45929
179: ok 45930
179: ok 45931
179: ok 45932
179: ok 45933
179: ok 45934
179: ok 45935
179: ok 45936
179: ok 45937
179: ok 45938
179: ok 45939
179: ok 45940
179: ok 45941
179: ok 45942
179: ok 45943
179: ok 45944
179: ok 45945
179: ok 45946
179: ok 45947
179: ok 45948
179: ok 45949
179: ok 45950
179: ok 45951
179: ok 45952
179: ok 45953
179: ok 45954
179: ok 45955
179: ok 45956
179: ok 45957
179: ok 45958
179: ok 45959
179: ok 45960
179: ok 45961
179: ok 45962
179: ok 45963
179: ok 45964
179: ok 45965
179: ok 45966
179: ok 45967
179: ok 45968
179: ok 45969
179: ok 45970
179: ok 45971
179: ok 45972
179: ok 45973
179: ok 45974
179: ok 45975
179: ok 45976
179: ok 45977
179: ok 45978
179: ok 45979
179: ok 45980
179: ok 45981
179: ok 45982
179: ok 45983
179: ok 45984
179: ok 45985
179: ok 45986
179: ok 45987
179: ok 45988
179: ok 45989
179: ok 45990
179: ok 45991
179: ok 45992
179: ok 45993
179: ok 45994
179: ok 45995
179: ok 45996
179: ok 45997
179: ok 45998
179: ok 45999
179: ok 46000
179: # math: passed testBasics_matrix3x3
179: 1..46000
179: # math: all tests are successful
180: ok 14911
180: ok 14912
180: ok 14913
180: ok 14914
180: ok 14915
180: ok 14916
180: ok 14917
180: ok 14918
180: ok 14919
180: ok 14920
180: ok 14921
180: ok 14922
180: ok 14923
180: ok 14924
180: ok 14925
180: ok 14926
180: ok 14927
180: ok 14928
180: ok 14929
180: ok 14930
180: ok 14931
180: ok 14932
180: ok 14933
180: ok 14934
180: ok 14935
180: ok 14936
180: ok 14937
180: ok 14938
180: ok 14939
180: ok 14940
180: ok 14941
180: ok 14942
180: ok 14943
180: ok 14944
180: ok 14945
180: ok 14946
180: ok 14947
180: ok 14948
180: ok 14949
180: ok 14950
180: ok 14951
180: ok 14952
180: ok 14953
180: ok 14954
180: ok 14955
180: ok 14956
180: ok 14957
180: ok 14958
180: ok 14959
180: ok 14960
180: ok 14961
180: ok 14962
180: ok 14963
180: ok 14964
180: ok 14965
180: ok 14966
180: ok 14967
180: ok 14968
180: ok 14969
180: ok 14970
180: ok 14971
180: ok 14972
180: ok 14973
180: ok 14974
180: ok 14975
180: ok 14976
180: ok 14977
180: ok 14978
180: ok 14979
180: ok 14980
180: ok 14981
180: ok 14982
180: ok 14983
180: ok 14984
180: ok 14985
180: ok 14986
180: ok 14987
180: ok 14988
180: ok 14989
180: ok 14990
180: ok 14991
180: ok 14992
180: ok 14993
180: ok 14994
180: ok 14995
180: ok 14996
180: ok 14997
180: ok 14998
180: ok 14999
180: ok 15000
180: ok 15001
180: ok 15002
180: ok 15003
180: ok 15004
180: ok 15005
180: ok 15006
180: ok 15007
180: ok 15008
180: ok 15009
180: ok 15010
180: ok 15011
180: ok 15012
180: ok 15013
180: ok 15014
180: ok 15015
180: ok 15016
180: ok 15017
180: ok 15018
180: ok 15019
180: ok 15020
180: ok 15021
180: ok 15022
180: ok 15023
180: ok 15024
180: ok 15025
180: ok 15026
180: ok 15027
180: ok 15028
180: ok 15029
180: ok 15030
180: ok 15031
180: ok 15032
180: ok 15033
180: ok 15034
180: ok 15035
180: ok 15036
180: ok 15037
180: ok 15038
180: ok 15039
180: ok 15040
180: ok 15041
180: ok 15042
180: ok 15043
180: ok 15044
180: ok 15045
180: ok 15046
180: ok 15047
180: ok 15048
180: ok 15049
180: ok 15050
180: ok 15051
180: ok 15052
180: ok 15053
180: ok 15054
180: ok 15055
180: ok 15056
180: ok 15057
180: ok 15058
180: ok 15059
180: ok 15060
180: ok 15061
180: ok 15062
180: ok 15063
180: ok 15064
180: ok 15065
180: ok 15066
180: ok 15067
180: ok 15068
180: ok 15069
180: ok 15070
180: ok 15071
180: ok 15072
180: ok 15073
180: ok 15074
180: ok 15075
180: ok 15076
180: ok 15077
180: ok 15078
180: ok 15079
180: ok 15080
180: ok 15081
180: ok 15082
180: ok 15083
180: ok 15084
180: ok 15085
180: ok 15086
180: ok 15087
180: ok 15088
180: ok 15089
180: ok 15090
180: ok 15091
180: ok 15092
180: ok 15093
180: ok 15094
180: ok 15095
180: ok 15096
180: ok 15097
180: ok 15098
180: ok 15099
180: ok 15100
180: ok 15101
180: ok 15102
180: ok 15103
180: ok 15104
180: ok 15105
180: ok 15106
180: ok 15107
180: ok 15108
180: ok 15109
180: ok 15110
180: ok 15111
180: ok 15112
180: ok 15113
180: ok 15114
180: ok 15115
180: ok 15116
180: ok 15117
180: ok 15118
180: ok 15119
180: ok 15120
180: ok 15121
180: ok 15122
180: ok 15123
180: ok 15124
180: ok 15125
180: ok 15126
180: ok 15127
180: ok 15128
180: ok 15129
180: ok 15130
180: ok 15131
180: ok 15132
180: ok 15133
180: ok 15134
180: ok 15135
180: ok 15136
180: ok 15137
180: ok 15138
180: ok 15139
180: ok 15140
180: ok 15141
180: ok 15142
180: ok 15143
180: ok 15144
180: ok 15145
180: ok 15146
180: ok 15147
180: ok 15148
180: ok 15149
180: ok 15150
180: ok 15151
180: ok 15152
180: ok 15153
180: ok 15154
180: ok 15155
180: ok 15156
180: ok 15157
180: ok 15158
180: ok 15159
180: ok 15160
180: ok 15161
180: ok 15162
180: ok 15163
180: ok 15164
180: ok 15165
180: ok 15166
180: ok 15167
180: ok 15168
180: ok 15169
180: ok 15170
180: ok 15171
180: ok 15172
180: ok 15173
180: ok 15174
180: ok 15175
180: ok 15176
180: ok 15177
180: ok 15178
180: ok 15179
180: ok 15180
180: ok 15181
180: ok 15182
180: ok 15183
180: ok 15184
180: ok 15185
180: ok 15186
180: ok 15187
180: ok 15188
180: ok 15189
180: ok 15190
180: ok 15191
180: ok 15192
180: ok 15193
180: ok 15194
180: ok 15195
180: ok 15196
180: ok 15197
180: ok 15198
180: ok 15199
180: ok 15200
180: ok 15201
180: ok 15202
180: ok 15203
180: ok 15204
180: ok 15205
180: ok 15206
180: ok 15207
180: ok 15208
180: ok 15209
180: ok 15210
180: ok 15211
180: ok 15212
180: ok 15213
180: ok 15214
180: ok 15215
180: ok 15216
180: ok 15217
180: ok 15218
180: ok 15219
180: ok 15220
180: ok 15221
180: ok 15222
180: ok 15223
180: ok 15224
180: ok 15225
180: ok 15226
180: ok 15227
180: ok 15228
180: ok 15229
180: ok 15230
180: ok 15231
180: ok 15232
180: ok 15233
180: ok 15234
180: ok 15235
180: ok 15236
180: ok 15237
180: ok 15238
180: ok 15239
180: ok 15240
180: ok 15241
180: ok 15242
180: ok 15243
180: ok 15244
180: ok 15245
180: ok 15246
180: ok 15247
180: ok 15248
180: ok 15249
180: ok 15250
180: ok 15251
180: ok 15252
180: ok 15253
180: ok 15254
180: ok 15255
180: ok 15256
180: ok 15257
180: ok 15258
180: ok 15259
180: ok 15260
180: ok 15261
180: ok 15262
180: ok 15263
180: ok 15264
180: ok 15265
180: ok 15266
180: ok 15267
180: ok 15268
180: ok 15269
180: ok 15270
180: ok 15271
180: ok 15272
180: ok 15273
180: ok 15274
180: ok 15275
180: ok 15276
180: ok 15277
180: ok 15278
180: ok 15279
180: ok 15280
180: ok 15281
180: ok 15282
180: ok 15283
180: ok 15284
180: ok 15285
180: ok 15286
180: ok 15287
180: ok 15288
180: ok 15289
180: ok 15290
180: ok 15291
180: ok 15292
180: ok 15293
180: ok 15294
180: ok 15295
180: ok 15296
180: ok 15297
180: ok 15298
180: ok 15299
180: ok 15300
180: ok 15301
180: ok 15302
180: ok 15303
180: ok 15304
180: ok 15305
180: ok 15306
180: ok 15307
180: ok 15308
180: ok 15309
180: ok 15310
180: ok 15311
180: ok 15312
180: ok 15313
180: ok 15314
180: ok 15315
180: ok 15316
180: ok 15317
180: ok 15318
180: ok 15319
180: ok 15320
180: ok 15321
180: ok 15322
180: ok 15323
180: ok 15324
180: ok 15325
180: ok 15326
180: ok 15327
180: ok 15328
180: ok 15329
180: ok 15330
180: ok 15331
180: ok 15332
180: ok 15333
180: ok 15334
180: ok 15335
180: ok 15336
180: ok 15337
180: ok 15338
180: ok 15339
180: ok 15340
180: ok 15341
180: ok 15342
180: ok 15343
180: ok 15344
180: ok 15345
180: ok 15346
180: ok 15347
180: ok 15348
180: ok 15349
180: ok 15350
180: ok 15351
180: ok 15352
180: ok 15353
180: ok 15354
180: ok 15355
180: ok 15356
180: ok 15357
180: ok 15358
180: ok 15359
180: ok 15360
180: ok 15361
180: ok 15362
180: ok 15363
180: ok 15364
180: ok 15365
180: ok 15366
180: ok 15367
180: ok 15368
180: ok 15369
180: ok 15370
180: ok 15371
180: ok 15372
180: ok 15373
180: ok 15374
180: ok 15375
180: ok 15376
180: ok 15377
180: ok 15378
180: ok 15379
180: ok 15380
180: ok 15381
180: ok 15382
180: ok 15383
180: ok 15384
180: ok 15385
180: ok 15386
180: ok 15387
180: ok 15388
180: ok 15389
180: ok 15390
180: ok 15391
180: ok 15392
180: ok 15393
180: ok 15394
180: ok 15395
180: ok 15396
180: ok 15397
180: ok 15398
180: ok 15399
180: ok 15400
180: ok 15401
180: ok 15402
180: ok 15403
180: ok 15404
180: ok 15405
180: ok 15406
180: ok 15407
180: ok 15408
180: ok 15409
180: ok 15410
180: ok 15411
180: ok 15412
180: ok 15413
180: ok 15414
180: ok 15415
180: ok 15416
180: ok 15417
180: ok 15418
180: ok 15419
180: ok 15420
180: ok 15421
180: ok 15422
180: ok 15423
180: ok 15424
180: ok 15425
180: ok 15426
180: ok 15427
180: ok 15428
180: ok 15429
180: ok 15430
180: ok 15431
180: ok 15432
180: ok 15433
180: ok 15434
180: ok 15435
180: ok 15436
180: ok 15437
180: ok 15438
180: ok 15439
180: ok 15440
180: ok 15441
180: ok 15442
180: ok 15443
180: ok 15444
180: ok 15445
180: ok 15446
180: ok 15447
180: ok 15448
180: ok 15449
180: ok 15450
180: ok 15451
180: ok 15452
180: ok 15453
180: ok 15454
180: ok 15455
180: ok 15456
180: ok 15457
180: ok 15458
180: ok 15459
180: ok 15460
180: ok 15461
180: ok 15462
180: ok 15463
180: ok 15464
180: ok 15465
180: ok 15466
180: ok 15467
180: ok 15468
180: ok 15469
180: ok 15470
180: ok 15471
180: ok 15472
180: ok 15473
180: ok 15474
180: ok 15475
180: ok 15476
180: ok 15477
180: ok 15478
180: ok 15479
180: ok 15480
180: ok 15481
180: ok 15482
180: ok 15483
180: ok 15484
180: ok 15485
180: ok 15486
180: ok 15487
180: ok 15488
180: ok 15489
180: ok 15490
180: ok 15491
180: ok 15492
180: ok 15493
180: ok 15494
180: ok 15495
180: ok 15496
180: ok 15497
180: ok 15498
180: ok 15499
180: ok 15500
180: ok 15501
180: ok 15502
180: ok 15503
180: ok 15504
180: ok 15505
180: ok 15506
180: ok 15507
180: ok 15508
180: ok 15509
180: ok 15510
180: ok 15511
180: ok 15512
180: ok 15513
180: ok 15514
180: ok 15515
180: ok 15516
180: ok 15517
180: ok 15518
180: ok 15519
180: ok 15520
180: ok 15521
180: ok 15522
180: ok 15523
180: ok 15524
180: ok 15525
180: ok 15526
180: ok 15527
180: ok 15528
180: ok 15529
180: ok 15530
180: ok 15531
180: ok 15532
180: ok 15533
180: ok 15534
180: ok 15535
180: ok 15536
180: ok 15537
180: ok 15538
180: ok 15539
180: ok 15540
180: ok 15541
180: ok 15542
180: ok 15543
180: ok 15544
180: ok 15545
180: ok 15546
180: ok 15547
180: ok 15548
180: ok 15549
180: ok 15550
180: ok 15551
180: ok 15552
180: ok 15553
180: ok 15554
180: ok 15555
180: ok 15556
180: ok 15557
180: ok 15558
180: ok 15559
180: ok 15560
180: ok 15561
180: ok 15562
180: ok 15563
180: ok 15564
180: ok 15565
180: ok 15566
180: ok 15567
180: ok 15568
180: ok 15569
180: ok 15570
180: ok 15571
180: ok 15572
180: ok 15573
180: ok 15574
180: ok 15575
180: ok 15576
180: ok 15577
180: ok 15578
180: ok 15579
180: ok 15580
180: ok 15581
180: ok 15582
180: ok 15583
180: ok 15584
180: ok 15585
180: ok 15586
180: ok 15587
180: ok 15588
180: ok 15589
180: ok 15590
180: ok 15591
180: ok 15592
180: ok 15593
180: ok 15594
180: ok 15595
180: ok 15596
180: ok 15597
180: ok 15598
180: ok 15599
180: ok 15600
180: ok 15601
180: ok 15602
180: ok 15603
180: ok 15604
180: ok 15605
180: ok 15606
180: ok 15607
180: ok 15608
180: ok 15609
180: ok 15610
180: ok 15611
180: ok 15612
180: ok 15613
180: ok 15614
180: ok 15615
180: ok 15616
180: ok 15617
180: ok 15618
180: ok 15619
180: ok 15620
180: ok 15621
180: ok 15622
180: ok 15623
180: ok 15624
180: ok 15625
180: ok 15626
180: ok 15627
180: ok 15628
180: ok 15629
180: ok 15630
180: ok 15631
180: ok 15632
180: ok 15633
180: ok 15634
180: ok 15635
180: ok 15636
180: ok 15637
180: ok 15638
180: ok 15639
180: ok 15640
180: ok 15641
180: ok 15642
180: ok 15643
180: ok 15644
180: ok 15645
180: ok 15646
180: ok 15647
180: ok 15648
180: ok 15649
180: ok 15650
180: ok 15651
180: ok 15652
180: ok 15653
180: ok 15654
180: ok 15655
180: ok 15656
180: ok 15657
180: ok 15658
180: ok 15659
180: ok 15660
180: ok 15661
180: ok 15662
180: ok 15663
180: ok 15664
180: ok 15665
180: ok 15666
180: ok 15667
180: ok 15668
180: ok 15669
180: ok 15670
180: ok 15671
180: ok 15672
180: ok 15673
180: ok 15674
180: ok 15675
180: ok 15676
180: ok 15677
180: ok 15678
180: ok 15679
180: ok 15680
180: ok 15681
180: ok 15682
180: ok 15683
180: ok 15684
180: ok 15685
180: ok 15686
180: ok 15687
180: ok 15688
180: ok 15689
180: ok 15690
180: ok 15691
180: ok 15692
180: ok 15693
180: ok 15694
180: ok 15695
180: ok 15696
180: ok 15697
180: ok 15698
180: ok 15699
180: ok 15700
180: ok 15701
180: ok 15702
180: ok 15703
180: ok 15704
180: ok 15705
180: ok 15706
180: ok 15707
180: ok 15708
180: ok 15709
180: ok 15710
180: ok 15711
180: ok 15712
180: ok 15713
180: ok 15714
180: ok 15715
180: ok 15716
180: ok 15717
180: ok 15718
180: ok 15719
180: ok 15720
180: ok 15721
180: ok 15722
180: ok 15723
180: ok 15724
180: ok 15725
180: ok 15726
180: ok 15727
180: ok 15728
180: ok 15729
180: ok 15730
180: ok 15731
180: ok 15732
180: ok 15733
180: ok 15734
180: ok 15735
180: ok 15736
180: ok 15737
180: ok 15738
180: ok 15739
180: ok 15740
180: ok 15741
180: ok 15742
180: ok 15743
180: ok 15744
180: ok 15745
180: ok 15746
180: ok 15747
180: ok 15748
180: ok 15749
180: ok 15750
180: ok 15751
180: ok 15752
180: ok 15753
180: ok 15754
180: ok 15755
180: ok 15756
180: ok 15757
180: ok 15758
180: ok 15759
180: ok 15760
180: ok 15761
180: ok 15762
180: ok 15763
180: ok 15764
180: ok 15765
180: ok 15766
180: ok 15767
180: ok 15768
180: ok 15769
180: ok 15770
180: ok 15771
180: ok 15772
180: ok 15773
180: ok 15774
180: ok 15775
180: ok 15776
180: ok 15777
180: ok 15778
180: ok 15779
180: ok 15780
180: ok 15781
180: ok 15782
180: ok 15783
180: ok 15784
180: ok 15785
180: ok 15786
180: ok 15787
180: ok 15788
180: ok 15789
180: ok 15790
180: ok 15791
180: ok 15792
180: ok 15793
180: ok 15794
180: ok 15795
180: ok 15796
180: ok 15797
180: ok 15798
180: ok 15799
180: ok 15800
180: ok 15801
180: ok 15802
180: ok 15803
180: ok 15804
180: ok 15805
180: ok 15806
180: ok 15807
180: ok 15808
180: ok 15809
180: ok 15810
180: ok 15811
180: ok 15812
180: ok 15813
180: ok 15814
180: ok 15815
180: ok 15816
180: ok 15817
180: ok 15818
180: ok 15819
180: ok 15820
180: ok 15821
180: ok 15822
180: ok 15823
180: ok 15824
180: ok 15825
180: ok 15826
180: ok 15827
180: ok 15828
180: ok 15829
180: ok 15830
180: ok 15831
180: ok 15832
180: ok 15833
180: ok 15834
180: ok 15835
180: ok 15836
180: ok 15837
180: ok 15838
180: ok 15839
180: ok 15840
180: ok 15841
180: ok 15842
180: ok 15843
180: ok 15844
180: ok 15845
180: ok 15846
180: ok 15847
180: ok 15848
180: ok 15849
180: ok 15850
180: ok 15851
180: ok 15852
180: ok 15853
180: ok 15854
180: ok 15855
180: ok 15856
180: ok 15857
180: ok 15858
180: ok 15859
180: ok 15860
180: ok 15861
180: ok 15862
180: ok 15863
180: ok 15864
180: ok 15865
180: ok 15866
180: ok 15867
180: ok 15868
180: ok 15869
180: ok 15870
180: ok 15871
180: ok 15872
180: ok 15873
180: ok 15874
180: ok 15875
180: ok 15876
180: ok 15877
180: ok 15878
180: ok 15879
180: ok 15880
180: ok 15881
180: ok 15882
180: ok 15883
180: ok 15884
180: ok 15885
180: ok 15886
180: ok 15887
180: ok 15888
180: ok 15889
180: ok 15890
180: ok 15891
180: ok 15892
180: ok 15893
180: ok 15894
180: ok 15895
180: ok 15896
180: ok 15897
180: ok 15898
180: ok 15899
180: ok 15900
180: ok 15901
180: ok 15902
180: ok 15903
180: ok 15904
180: ok 15905
180: ok 15906
180: ok 15907
180: ok 15908
180: ok 15909
180: ok 15910
180: ok 15911
180: ok 15912
180: ok 15913
180: ok 15914
180: ok 15915
180: ok 15916
180: ok 15917
180: ok 15918
180: ok 15919
180: ok 15920
180: ok 15921
180: ok 15922
180: ok 15923
180: ok 15924
180: ok 15925
180: ok 15926
180: ok 15927
180: ok 15928
180: ok 15929
180: ok 15930
180: ok 15931
180: ok 15932
180: ok 15933
180: ok 15934
180: ok 15935
180: ok 15936
180: ok 15937
180: ok 15938
180: ok 15939
180: ok 15940
180: ok 15941
180: ok 15942
180: ok 15943
180: ok 15944
180: ok 15945
180: ok 15946
180: ok 15947
180: ok 15948
180: ok 15949
180: ok 15950
180: ok 15951
180: ok 15952
180: ok 15953
180: ok 15954
180: ok 15955
180: ok 15956
180: ok 15957
180: ok 15958
180: ok 15959
180: ok 15960
180: ok 15961
180: ok 15962
180: ok 15963
180: ok 15964
180: ok 15965
180: ok 15966
180: ok 15967
180: ok 15968
180: ok 15969
180: ok 15970
180: ok 15971
180: ok 15972
180: ok 15973
180: ok 15974
180: ok 15975
180: ok 15976
180: ok 15977
180: ok 15978
180: ok 15979
180: ok 15980
180: ok 15981
180: ok 15982
180: ok 15983
180: ok 15984
180: ok 15985
180: ok 15986
180: ok 15987
180: ok 15988
180: ok 15989
180: ok 15990
180: ok 15991
180: ok 15992
180: ok 15993
180: ok 15994
180: ok 15995
180: ok 15996
180: ok 15997
180: ok 15998
180: ok 15999
180: ok 16000
180: ok 16001
180: ok 16002
180: ok 16003
180: ok 16004
180: ok 16005
180: ok 16006
180: ok 16007
180: ok 16008
180: ok 16009
180: ok 16010
180: ok 16011
180: ok 16012
180: ok 16013
180: ok 16014
180: ok 16015
180: ok 16016
180: ok 16017
180: ok 16018
180: ok 16019
180: ok 16020
180: ok 16021
180: ok 16022
180: ok 16023
180: ok 16024
180: ok 16025
180: ok 16026
180: ok 16027
180: ok 16028
180: ok 16029
180: ok 16030
180: ok 16031
180: ok 16032
180: ok 16033
180: ok 16034
180: ok 16035
180: ok 16036
180: ok 16037
180: ok 16038
180: ok 16039
180: ok 16040
180: ok 16041
180: ok 16042
180: ok 16043
180: ok 16044
180: ok 16045
180: ok 16046
180: ok 16047
180: ok 16048
180: ok 16049
180: ok 16050
180: ok 16051
180: ok 16052
180: ok 16053
180: ok 16054
180: ok 16055
180: ok 16056
180: ok 16057
180: ok 16058
180: ok 16059
180: ok 16060
180: ok 16061
180: ok 16062
180: ok 16063
180: ok 16064
180: ok 16065
180: ok 16066
180: ok 16067
180: ok 16068
180: ok 16069
180: ok 16070
180: ok 16071
180: ok 16072
180: ok 16073
180: ok 16074
180: ok 16075
180: ok 16076
180: ok 16077
180: ok 16078
180: ok 16079
180: ok 16080
180: ok 16081
180: ok 16082
180: ok 16083
180: ok 16084
180: ok 16085
180: ok 16086
180: ok 16087
180: ok 16088
180: ok 16089
180: ok 16090
180: ok 16091
180: ok 16092
180: ok 16093
180: ok 16094
180: ok 16095
180: ok 16096
180: ok 16097
180: ok 16098
180: ok 16099
180: ok 16100
180: ok 16101
180: ok 16102
180: ok 16103
180: ok 16104
180: ok 16105
180: ok 16106
180: ok 16107
180: ok 16108
180: ok 16109
180: ok 16110
180: ok 16111
180: ok 16112
180: ok 16113
180: ok 16114
180: ok 16115
180: ok 16116
180: ok 16117
180: ok 16118
180: ok 16119
180: ok 16120
180: ok 16121
180: ok 16122
180: ok 16123
180: ok 16124
180: ok 16125
180: ok 16126
180: ok 16127
180: ok 16128
180: ok 16129
180: ok 16130
180: ok 16131
180: ok 16132
180: ok 16133
180: ok 16134
180: ok 16135
180: ok 16136
180: ok 16137
180: ok 16138
180: ok 16139
180: ok 16140
180: ok 16141
180: ok 16142
180: ok 16143
180: ok 16144
180: ok 16145
180: ok 16146
180: ok 16147
180: ok 16148
180: ok 16149
180: ok 16150
180: ok 16151
180: ok 16152
180: ok 16153
180: ok 16154
180: ok 16155
180: ok 16156
180: ok 16157
180: ok 16158
180: ok 16159
180: ok 16160
180: ok 16161
180: ok 16162
180: ok 16163
180: ok 16164
180: ok 16165
180: ok 16166
180: ok 16167
180: ok 16168
180: ok 16169
180: ok 16170
180: ok 16171
180: ok 16172
180: ok 16173
180: ok 16174
180: ok 16175
180: ok 16176
180: ok 16177
180: ok 16178
180: ok 16179
180: ok 16180
180: ok 16181
180: ok 16182
180: ok 16183
180: ok 16184
180: ok 16185
180: ok 16186
180: ok 16187
180: ok 16188
180: ok 16189
180: ok 16190
180: ok 16191
180: ok 16192
180: ok 16193
180: ok 16194
180: ok 16195
180: ok 16196
180: ok 16197
180: ok 16198
180: ok 16199
180: ok 16200
180: ok 16201
180: ok 16202
180: ok 16203
180: ok 16204
180: ok 16205
180: ok 16206
180: ok 16207
180: ok 16208
180: ok 16209
180: ok 16210
180: ok 16211
180: ok 16212
180: ok 16213
180: ok 16214
180: ok 16215
180: ok 16216
180: ok 16217
180: ok 16218
180: ok 16219
180: ok 16220
180: ok 16221
180: ok 16222
180: ok 16223
180: ok 16224
180: ok 16225
180: ok 16226
180: ok 16227
180: ok 16228
180: ok 16229
180: ok 16230
180: ok 16231
180: ok 16232
180: ok 16233
180: ok 16234
180: ok 16235
180: ok 16236
180: ok 16237
180: ok 16238
180: ok 16239
180: ok 16240
180: ok 16241
180: ok 16242
180: ok 16243
180: ok 16244
180: ok 16245
180: ok 16246
180: ok 16247
180: ok 16248
180: ok 16249
180: ok 16250
180: ok 16251
180: ok 16252
180: ok 16253
180: ok 16254
180: ok 16255
180: ok 16256
180: ok 16257
180: ok 16258
180: ok 16259
180: ok 16260
180: ok 16261
180: ok 16262
180: ok 16263
180: ok 16264
180: ok 16265
180: ok 16266
180: ok 16267
180: ok 16268
180: ok 16269
180: ok 16270
180: ok 16271
180: ok 16272
180: ok 16273
180: ok 16274
180: ok 16275
180: ok 16276
180: ok 16277
180: ok 16278
180: ok 16279
180: ok 16280
180: ok 16281
180: ok 16282
180: ok 16283
180: ok 16284
180: ok 16285
180: ok 16286
180: ok 16287
180: ok 16288
180: ok 16289
180: ok 16290
180: ok 16291
180: ok 16292
180: ok 16293
180: ok 16294
180: ok 16295
180: ok 16296
180: ok 16297
180: ok 16298
180: ok 16299
180: ok 16300
180: ok 16301
180: ok 16302
180: ok 16303
180: ok 16304
180: ok 16305
180: ok 16306
180: ok 16307
180: ok 16308
180: ok 16309
180: ok 16310
180: ok 16311
180: ok 16312
180: ok 16313
180: ok 16314
180: ok 16315
180: ok 16316
180: ok 16317
180: ok 16318
180: ok 16319
180: ok 16320
180: ok 16321
180: ok 16322
180: ok 16323
180: ok 16324
180: ok 16325
180: ok 16326
180: ok 16327
180: ok 16328
180: ok 16329
180: ok 16330
180: ok 16331
180: ok 16332
180: ok 16333
180: ok 16334
180: ok 16335
180: ok 16336
180: ok 16337
180: ok 16338
180: ok 16339
180: ok 16340
180: ok 16341
180: ok 16342
180: ok 16343
180: ok 16344
180: ok 16345
180: ok 16346
180: ok 16347
180: ok 16348
180: ok 16349
180: ok 16350
180: ok 16351
180: ok 16352
180: ok 16353
180: ok 16354
180: ok 16355
180: ok 16356
180: ok 16357
180: ok 16358
180: ok 16359
180: ok 16360
180: ok 16361
180: ok 16362
180: ok 16363
180: ok 16364
180: ok 16365
180: ok 16366
180: ok 16367
180: ok 16368
180: ok 16369
180: ok 16370
180: ok 16371
180: ok 16372
180: ok 16373
180: ok 16374
180: ok 16375
180: ok 16376
180: ok 16377
180: ok 16378
180: ok 16379
180: ok 16380
180: ok 16381
180: ok 16382
180: ok 16383
180: ok 16384
180: ok 16385
180: ok 16386
180: ok 16387
180: ok 16388
180: ok 16389
180: ok 16390
180: ok 16391
180: ok 16392
180: ok 16393
180: ok 16394
180: ok 16395
180: ok 16396
180: ok 16397
180: ok 16398
180: ok 16399
180: ok 16400
180: ok 16401
180: ok 16402
180: ok 16403
180: ok 16404
180: ok 16405
180: ok 16406
180: ok 16407
180: ok 16408
180: ok 16409
180: ok 16410
180: ok 16411
180: ok 16412
180: ok 16413
180: ok 16414
180: ok 16415
180: ok 16416
180: ok 16417
180: ok 16418
180: ok 16419
180: ok 16420
180: ok 16421
180: ok 16422
180: ok 16423
180: ok 16424
180: ok 16425
180: ok 16426
180: ok 16427
180: ok 16428
180: ok 16429
180: ok 16430
180: ok 16431
180: ok 16432
180: ok 16433
180: ok 16434
180: ok 16435
180: ok 16436
180: ok 16437
180: ok 16438
180: ok 16439
180: ok 16440
180: ok 16441
180: ok 16442
180: ok 16443
180: ok 16444
180: ok 16445
180: ok 16446
180: ok 16447
180: ok 16448
180: ok 16449
180: ok 16450
180: ok 16451
180: ok 16452
180: ok 16453
180: ok 16454
180: ok 16455
180: ok 16456
180: ok 16457
180: ok 16458
180: ok 16459
180: ok 16460
180: ok 16461
180: ok 16462
180: ok 16463
180: ok 16464
180: ok 16465
180: ok 16466
180: ok 16467
180: ok 16468
180: ok 16469
180: ok 16470
180: ok 16471
180: ok 16472
180: ok 16473
180: ok 16474
180: ok 16475
180: ok 16476
180: ok 16477
180: ok 16478
180: ok 16479
180: ok 16480
180: ok 16481
180: ok 16482
180: ok 16483
180: ok 16484
180: ok 16485
180: ok 16486
180: ok 16487
180: ok 16488
180: ok 16489
180: ok 16490
180: ok 16491
180: ok 16492
180: ok 16493
180: ok 16494
180: ok 16495
180: ok 16496
180: ok 16497
180: ok 16498
180: ok 16499
180: ok 16500
180: ok 16501
180: ok 16502
180: ok 16503
180: ok 16504
180: ok 16505
180: ok 16506
180: ok 16507
180: ok 16508
180: ok 16509
180: ok 16510
180: ok 16511
180: ok 16512
180: ok 16513
180: ok 16514
180: ok 16515
180: ok 16516
180: ok 16517
180: ok 16518
180: ok 16519
180: ok 16520
180: ok 16521
180: ok 16522
180: ok 16523
180: ok 16524
180: ok 16525
180: ok 16526
180: ok 16527
180: ok 16528
180: ok 16529
180: ok 16530
180: ok 16531
180: ok 16532
180: ok 16533
180: ok 16534
180: ok 16535
180: ok 16536
180: ok 16537
180: ok 16538
180: ok 16539
180: ok 16540
180: ok 16541
180: ok 16542
180: ok 16543
180: ok 16544
180: ok 16545
180: ok 16546
180: ok 16547
180: ok 16548
180: ok 16549
180: ok 16550
180: ok 16551
180: ok 16552
180: ok 16553
180: ok 16554
180: ok 16555
180: ok 16556
180: ok 16557
180: ok 16558
180: ok 16559
180: ok 16560
180: ok 16561
180: ok 16562
180: ok 16563
180: ok 16564
180: ok 16565
180: ok 16566
180: ok 16567
180: ok 16568
180: ok 16569
180: ok 16570
180: ok 16571
180: ok 16572
180: ok 16573
180: ok 16574
180: ok 16575
180: ok 16576
180: ok 16577
180: ok 16578
180: ok 16579
180: ok 16580
180: ok 16581
180: ok 16582
180: ok 16583
180: ok 16584
180: ok 16585
180: ok 16586
180: ok 16587
180: ok 16588
180: ok 16589
180: ok 16590
180: ok 16591
180: ok 16592
180: ok 16593
180: ok 16594
180: ok 16595
180: ok 16596
180: ok 16597
180: ok 16598
180: ok 16599
180: ok 16600
180: ok 16601
180: ok 16602
180: ok 16603
180: ok 16604
180: ok 16605
180: ok 16606
180: ok 16607
180: ok 16608
180: ok 16609
180: ok 16610
180: ok 16611
180: ok 16612
180: ok 16613
180: ok 16614
180: ok 16615
180: ok 16616
180: ok 16617
180: ok 16618
180: ok 16619
180: ok 16620
180: ok 16621
180: ok 16622
180: ok 16623
180: ok 16624
180: ok 16625
180: ok 16626
180: ok 16627
180: ok 16628
180: ok 16629
180: ok 16630
180: ok 16631
180: ok 16632
180: ok 16633
180: ok 16634
180: ok 16635
180: ok 16636
180: ok 16637
180: ok 16638
180: ok 16639
180: ok 16640
180: ok 16641
180: ok 16642
180: ok 16643
180: ok 16644
180: ok 16645
180: ok 16646
180: ok 16647
180: ok 16648
180: ok 16649
180: ok 16650
180: ok 16651
180: ok 16652
180: ok 16653
180: ok 16654
180: ok 16655
180: ok 16656
180: ok 16657
180: ok 16658
180: ok 16659
180: ok 16660
180: ok 16661
180: ok 16662
180: ok 16663
180: ok 16664
180: ok 16665
180: ok 16666
180: ok 16667
180: ok 16668
180: ok 16669
180: ok 16670
180: ok 16671
180: ok 16672
180: ok 16673
180: ok 16674
180: ok 16675
180: ok 16676
180: ok 16677
180: ok 16678
180: ok 16679
180: ok 16680
180: ok 16681
180: ok 16682
180: ok 16683
180: ok 16684
180: ok 16685
180: ok 16686
180: ok 16687
180: ok 16688
180: ok 16689
180: ok 16690
180: ok 16691
180: ok 16692
180: ok 16693
180: ok 16694
180: ok 16695
180: ok 16696
180: ok 16697
180: ok 16698
180: ok 16699
180: ok 16700
180: ok 16701
180: ok 16702
180: ok 16703
180: ok 16704
180: ok 16705
180: ok 16706
180: ok 16707
180: ok 16708
180: ok 16709
180: ok 16710
180: ok 16711
180: ok 16712
180: ok 16713
180: ok 16714
180: ok 16715
180: ok 16716
180: ok 16717
180: ok 16718
180: ok 16719
180: ok 16720
180: ok 16721
180: ok 16722
180: ok 16723
180: ok 16724
180: ok 16725
180: ok 16726
180: ok 16727
180: ok 16728
180: ok 16729
180: ok 16730
180: ok 16731
180: ok 16732
180: ok 16733
180: ok 16734
180: ok 16735
180: ok 16736
180: ok 16737
180: ok 16738
180: ok 16739
180: ok 16740
180: ok 16741
180: ok 16742
180: ok 16743
180: ok 16744
180: ok 16745
180: ok 16746
180: ok 16747
180: ok 16748
180: ok 16749
180: ok 16750
180: ok 16751
180: ok 16752
180: ok 16753
180: ok 16754
180: ok 16755
180: ok 16756
180: ok 16757
180: ok 16758
180: ok 16759
180: ok 16760
180: ok 16761
180: ok 16762
180: ok 16763
180: ok 16764
180: ok 16765
180: ok 16766
180: ok 16767
180: ok 16768
180: ok 16769
180: ok 16770
180: ok 16771
180: ok 16772
180: ok 16773
180: ok 16774
180: ok 16775
180: ok 16776
180: ok 16777
180: ok 16778
180: ok 16779
180: ok 16780
180: ok 16781
180: ok 16782
180: ok 16783
180: ok 16784
180: ok 16785
180: ok 16786
180: ok 16787
180: ok 16788
180: ok 16789
180: ok 16790
180: ok 16791
180: ok 16792
180: ok 16793
180: ok 16794
180: ok 16795
180: ok 16796
180: ok 16797
180: ok 16798
180: ok 16799
180: ok 16800
180: ok 16801
180: ok 16802
180: ok 16803
180: ok 16804
180: ok 16805
180: ok 16806
180: ok 16807
180: ok 16808
180: ok 16809
180: ok 16810
180: ok 16811
180: ok 16812
180: ok 16813
180: ok 16814
180: ok 16815
180: ok 16816
180: ok 16817
180: ok 16818
180: ok 16819
180: ok 16820
180: ok 16821
180: ok 16822
180: ok 16823
180: ok 16824
180: ok 16825
180: ok 16826
180: ok 16827
180: ok 16828
180: ok 16829
180: ok 16830
180: ok 16831
180: ok 16832
180: ok 16833
180: ok 16834
180: ok 16835
180: ok 16836
180: ok 16837
180: ok 16838
180: ok 16839
180: ok 16840
180: ok 16841
180: ok 16842
180: ok 16843
180: ok 16844
180: ok 16845
180: ok 16846
180: ok 16847
180: ok 16848
180: ok 16849
180: ok 16850
180: ok 16851
180: ok 16852
180: ok 16853
180: ok 16854
180: ok 16855
180: ok 16856
180: ok 16857
180: ok 16858
180: ok 16859
180: ok 16860
180: ok 16861
180: ok 16862
180: ok 16863
180: ok 16864
180: ok 16865
180: ok 16866
180: ok 16867
180: ok 16868
180: ok 16869
180: ok 16870
180: ok 16871
180: ok 16872
180: ok 16873
180: ok 16874
180: ok 16875
180: ok 16876
180: ok 16877
180: ok 16878
180: ok 16879
180: ok 16880
180: ok 16881
180: ok 16882
180: ok 16883
180: ok 16884
180: ok 16885
180: ok 16886
180: ok 16887
180: ok 16888
180: ok 16889
180: ok 16890
180: ok 16891
180: ok 16892
180: ok 16893
180: ok 16894
180: ok 16895
180: ok 16896
180: ok 16897
180: ok 16898
180: ok 16899
180: ok 16900
180: ok 16901
180: ok 16902
180: ok 16903
180: ok 16904
180: ok 16905
180: ok 16906
180: ok 16907
180: ok 16908
180: ok 16909
180: ok 16910
180: ok 16911
180: ok 16912
180: ok 16913
180: ok 16914
180: ok 16915
180: ok 16916
180: ok 16917
180: ok 16918
180: ok 16919
180: ok 16920
180: ok 16921
180: ok 16922
180: ok 16923
180: ok 16924
180: ok 16925
180: ok 16926
180: ok 16927
180: ok 16928
180: ok 16929
180: ok 16930
180: ok 16931
180: ok 16932
180: ok 16933
180: ok 16934
180: ok 16935
180: ok 16936
180: ok 16937
180: ok 16938
180: ok 16939
180: ok 16940
180: ok 16941
180: ok 16942
180: ok 16943
180: ok 16944
180: ok 16945
180: ok 16946
180: ok 16947
180: ok 16948
180: ok 16949
180: ok 16950
180: ok 16951
180: ok 16952
180: ok 16953
180: ok 16954
180: ok 16955
180: ok 16956
180: ok 16957
180: ok 16958
180: ok 16959
180: ok 16960
180: ok 16961
180: ok 16962
180: ok 16963
180: ok 16964
180: ok 16965
180: ok 16966
180: ok 16967
180: ok 16968
180: ok 16969
180: ok 16970
180: ok 16971
180: ok 16972
180: ok 16973
180: ok 16974
180: ok 16975
180: ok 16976
180: ok 16977
180: ok 16978
180: ok 16979
180: ok 16980
180: ok 16981
180: ok 16982
180: ok 16983
180: ok 16984
180: ok 16985
180: ok 16986
180: ok 16987
180: ok 16988
180: ok 16989
180: ok 16990
180: ok 16991
180: ok 16992
180: ok 16993
180: ok 16994
180: ok 16995
180: ok 16996
180: ok 16997
180: ok 16998
180: ok 16999
180: ok 17000
180: ok 17001
180: ok 17002
180: ok 17003
180: ok 17004
180: ok 17005
180: ok 17006
180: ok 17007
180: ok 17008
180: ok 17009
180: ok 17010
180: ok 17011
180: ok 17012
180: ok 17013
180: ok 17014
180: ok 17015
180: ok 17016
180: ok 17017
180: ok 17018
180: ok 17019
180: ok 17020
180: ok 17021
180: ok 17022
180: ok 17023
180: ok 17024
180: ok 17025
180: ok 17026
180: ok 17027
180: ok 17028
180: ok 17029
180: ok 17030
180: ok 17031
180: ok 17032
180: ok 17033
180: ok 17034
180: ok 17035
180: ok 17036
180: ok 17037
180: ok 17038
180: ok 17039
180: ok 17040
180: ok 17041
180: ok 17042
180: ok 17043
180: ok 17044
180: ok 17045
180: ok 17046
180: ok 17047
180: ok 17048
180: ok 17049
180: ok 17050
180: ok 17051
180: ok 17052
180: ok 17053
180: ok 17054
180: ok 17055
180: ok 17056
180: ok 17057
180: ok 17058
180: ok 17059
180: ok 17060
180: ok 17061
180: ok 17062
180: ok 17063
180: ok 17064
180: ok 17065
180: ok 17066
180: ok 17067
180: ok 17068
180: ok 17069
180: ok 17070
180: ok 17071
180: ok 17072
180: ok 17073
180: ok 17074
180: ok 17075
180: ok 17076
180: ok 17077
180: ok 17078
180: ok 17079
180: ok 17080
180: ok 17081
180: ok 17082
180: ok 17083
180: ok 17084
180: ok 17085
180: ok 17086
180: ok 17087
180: ok 17088
180: ok 17089
180: ok 17090
180: ok 17091
180: ok 17092
180: ok 17093
180: ok 17094
180: ok 17095
180: ok 17096
180: ok 17097
180: ok 17098
180: ok 17099
180: ok 17100
180: ok 17101
180: ok 17102
180: ok 17103
180: ok 17104
180: ok 17105
180: ok 17106
180: ok 17107
180: ok 17108
180: ok 17109
180: ok 17110
180: ok 17111
180: ok 17112
180: ok 17113
180: ok 17114
180: ok 17115
180: ok 17116
180: ok 17117
180: ok 17118
180: ok 17119
180: ok 17120
180: ok 17121
180: ok 17122
180: ok 17123
180: ok 17124
180: ok 17125
180: ok 17126
180: ok 17127
180: ok 17128
180: ok 17129
180: ok 17130
180: ok 17131
180: ok 17132
180: ok 17133
180: ok 17134
180: ok 17135
180: ok 17136
180: ok 17137
180: ok 17138
180: ok 17139
180: ok 17140
180: ok 17141
180: ok 17142
180: ok 17143
180: ok 17144
180: ok 17145
180: ok 17146
180: ok 17147
180: ok 17148
180: ok 17149
180: ok 17150
180: ok 17151
180: ok 17152
180: ok 17153
180: ok 17154
180: ok 17155
180: ok 17156
180: ok 17157
180: ok 17158
180: ok 17159
180: ok 17160
180: ok 17161
180: ok 17162
180: ok 17163
180: ok 17164
180: ok 17165
180: ok 17166
180: ok 17167
180: ok 17168
180: ok 17169
180: ok 17170
180: ok 17171
180: ok 17172
180: ok 17173
180: ok 17174
180: ok 17175
180: ok 17176
180: ok 17177
180: ok 17178
180: ok 17179
180: ok 17180
180: ok 17181
180: ok 17182
180: ok 17183
180: ok 17184
180: ok 17185
180: ok 17186
180: ok 17187
180: ok 17188
180: ok 17189
180: ok 17190
180: ok 17191
180: ok 17192
180: ok 17193
180: ok 17194
180: ok 17195
180: ok 17196
180: ok 17197
180: ok 17198
180: ok 17199
180: ok 17200
180: ok 17201
180: ok 17202
180: ok 17203
180: ok 17204
180: ok 17205
180: ok 17206
180: ok 17207
180: ok 17208
180: ok 17209
180: ok 17210
180: ok 17211
180: ok 17212
180: ok 17213
180: ok 17214
180: ok 17215
180: ok 17216
180: ok 17217
180: ok 17218
180: ok 17219
180: ok 17220
180: ok 17221
180: ok 17222
180: ok 17223
180: ok 17224
180: ok 17225
180: ok 17226
180: ok 17227
180: ok 17228
180: ok 17229
180: ok 17230
180: ok 17231
180: ok 17232
180: ok 17233
180: ok 17234
180: ok 17235
180: ok 17236
180: ok 17237
180: ok 17238
180: ok 17239
180: ok 17240
180: ok 17241
180: ok 17242
180: ok 17243
180: ok 17244
180: ok 17245
180: ok 17246
180: ok 17247
180: ok 17248
180: ok 17249
180: ok 17250
180: ok 17251
180: ok 17252
180: ok 17253
180: ok 17254
180: ok 17255
180: ok 17256
180: ok 17257
180: ok 17258
180: ok 17259
180: ok 17260
180: ok 17261
180: ok 17262
180: ok 17263
180: ok 17264
180: ok 17265
180: ok 17266
180: ok 17267
180: ok 17268
180: ok 17269
180: ok 17270
180: ok 17271
180: ok 17272
180: ok 17273
180: ok 17274
180: ok 17275
180: ok 17276
180: ok 17277
180: ok 17278
180: ok 17279
180: ok 17280
180: ok 17281
180: ok 17282
180: ok 17283
180: ok 17284
180: ok 17285
180: ok 17286
180: ok 17287
180: ok 17288
180: ok 17289
180: ok 17290
180: ok 17291
180: ok 17292
180: ok 17293
180: ok 17294
180: ok 17295
180: ok 17296
180: ok 17297
180: ok 17298
180: ok 17299
180: ok 17300
180: ok 17301
180: ok 17302
180: ok 17303
180: ok 17304
180: ok 17305
180: ok 17306
180: ok 17307
180: ok 17308
180: ok 17309
180: ok 17310
180: ok 17311
180: ok 17312
180: ok 17313
180: ok 17314
180: ok 17315
180: ok 17316
180: ok 17317
180: ok 17318
180: ok 17319
180: ok 17320
180: ok 17321
180: ok 17322
180: ok 17323
180: ok 17324
180: ok 17325
180: ok 17326
180: ok 17327
180: ok 17328
180: ok 17329
180: ok 17330
180: ok 17331
180: ok 17332
180: ok 17333
180: ok 17334
180: ok 17335
180: ok 17336
180: ok 17337
180: ok 17338
180: ok 17339
180: ok 17340
180: ok 17341
180: ok 17342
180: ok 17343
180: ok 17344
180: ok 17345
180: ok 17346
180: ok 17347
180: ok 17348
180: ok 17349
180: ok 17350
180: ok 17351
180: ok 17352
180: ok 17353
180: ok 17354
180: ok 17355
180: ok 17356
180: ok 17357
180: ok 17358
180: ok 17359
180: ok 17360
180: ok 17361
180: ok 17362
180: ok 17363
180: ok 17364
180: ok 17365
180: ok 17366
180: ok 17367
180: ok 17368
180: ok 17369
180: ok 17370
180: ok 17371
180: ok 17372
180: ok 17373
180: ok 17374
180: ok 17375
180: ok 17376
180: ok 17377
180: ok 17378
180: ok 17379
180: ok 17380
180: ok 17381
180: ok 17382
180: ok 17383
180: ok 17384
180: ok 17385
180: ok 17386
180: ok 17387
180: ok 17388
180: ok 17389
180: ok 17390
180: ok 17391
180: ok 17392
180: ok 17393
180: ok 17394
180: ok 17395
180: ok 17396
180: ok 17397
180: ok 17398
180: ok 17399
180: ok 17400
180: ok 17401
180: ok 17402
180: ok 17403
180: ok 17404
180: ok 17405
180: ok 17406
180: ok 17407
180: ok 17408
180: ok 17409
180: ok 17410
180: ok 17411
180: ok 17412
180: ok 17413
180: ok 17414
180: ok 17415
180: ok 17416
180: ok 17417
180: ok 17418
180: ok 17419
180: ok 17420
180: ok 17421
180: ok 17422
180: ok 17423
180: ok 17424
180: ok 17425
180: ok 17426
180: ok 17427
180: ok 17428
180: ok 17429
180: ok 17430
180: ok 17431
180: ok 17432
180: ok 17433
180: ok 17434
180: ok 17435
180: ok 17436
180: ok 17437
180: ok 17438
180: ok 17439
180: ok 17440
180: ok 17441
180: ok 17442
180: ok 17443
180: ok 17444
180: ok 17445
180: ok 17446
180: ok 17447
180: ok 17448
180: ok 17449
180: ok 17450
180: ok 17451
180: ok 17452
180: ok 17453
180: ok 17454
180: ok 17455
180: ok 17456
180: ok 17457
180: ok 17458
180: ok 17459
180: ok 17460
180: ok 17461
180: ok 17462
180: ok 17463
180: ok 17464
180: ok 17465
180: ok 17466
180: ok 17467
180: ok 17468
180: ok 17469
180: ok 17470
180: ok 17471
180: ok 17472
180: ok 17473
180: ok 17474
180: ok 17475
180: ok 17476
180: ok 17477
180: ok 17478
180: ok 17479
180: ok 17480
180: ok 17481
180: ok 17482
180: ok 17483
180: ok 17484
180: ok 17485
180: ok 17486
180: ok 17487
180: ok 17488
180: ok 17489
180: ok 17490
180: ok 17491
180: ok 17492
180: ok 17493
180: ok 17494
180: ok 17495
180: ok 17496
180: ok 17497
180: ok 17498
180: ok 17499
180: ok 17500
180: ok 17501
180: ok 17502
180: ok 17503
180: ok 17504
180: ok 17505
180: ok 17506
180: ok 17507
180: ok 17508
180: ok 17509
180: ok 17510
180: ok 17511
180: ok 17512
180: ok 17513
180: ok 17514
180: ok 17515
180: ok 17516
180: ok 17517
180: ok 17518
180: ok 17519
180: ok 17520
180: ok 17521
180: ok 17522
180: ok 17523
180: ok 17524
180: ok 17525
180: ok 17526
180: ok 17527
180: ok 17528
180: ok 17529
180: ok 17530
180: ok 17531
180: ok 17532
180: ok 17533
180: ok 17534
180: ok 17535
180: ok 17536
180: ok 17537
180: ok 17538
180: ok 17539
180: ok 17540
180: ok 17541
180: ok 17542
180: ok 17543
180: ok 17544
180: ok 17545
180: ok 17546
180: ok 17547
180: ok 17548
180: ok 17549
180: ok 17550
180: ok 17551
180: ok 17552
180: ok 17553
180: ok 17554
180: ok 17555
180: ok 17556
180: ok 17557
180: ok 17558
180: ok 17559
180: ok 17560
180: ok 17561
180: ok 17562
180: ok 17563
180: ok 17564
180: ok 17565
180: ok 17566
180: ok 17567
180: ok 17568
180: ok 17569
180: ok 17570
180: ok 17571
180: ok 17572
180: ok 17573
180: ok 17574
180: ok 17575
180: ok 17576
180: ok 17577
180: ok 17578
180: ok 17579
180: ok 17580
180: ok 17581
180: ok 17582
180: ok 17583
180: ok 17584
180: ok 17585
180: ok 17586
180: ok 17587
180: ok 17588
180: ok 17589
180: ok 17590
180: ok 17591
180: ok 17592
180: ok 17593
180: ok 17594
180: ok 17595
180: ok 17596
180: ok 17597
180: ok 17598
180: ok 17599
180: ok 17600
180: ok 17601
180: ok 17602
180: ok 17603
180: ok 17604
180: ok 17605
180: ok 17606
180: ok 17607
180: ok 17608
180: ok 17609
180: ok 17610
180: ok 17611
180: ok 17612
180: ok 17613
180: ok 17614
180: ok 17615
180: ok 17616
180: ok 17617
180: ok 17618
180: ok 17619
180: ok 17620
180: ok 17621
180: ok 17622
180: ok 17623
180: ok 17624
180: ok 17625
180: ok 17626
180: ok 17627
180: ok 17628
180: ok 17629
180: ok 17630
180: ok 17631
180: ok 17632
180: ok 17633
180: ok 17634
180: ok 17635
180: ok 17636
180: ok 17637
180: ok 17638
180: ok 17639
180: ok 17640
180: ok 17641
180: ok 17642
180: ok 17643
180: ok 17644
180: ok 17645
180: ok 17646
180: ok 17647
180: ok 17648
180: ok 17649
180: ok 17650
180: ok 17651
180: ok 17652
180: ok 17653
180: ok 17654
180: ok 17655
180: ok 17656
180: ok 17657
180: ok 17658
180: ok 17659
180: ok 17660
180: ok 17661
180: ok 17662
180: ok 17663
180: ok 17664
180: ok 17665
180: ok 17666
180: ok 17667
180: ok 17668
180: ok 17669
180: ok 17670
180: ok 17671
180: ok 17672
180: ok 17673
180: ok 17674
180: ok 17675
180: ok 17676
180: ok 17677
180: ok 17678
180: ok 17679
180: ok 17680
180: ok 17681
180: ok 17682
180: ok 17683
180: ok 17684
180: ok 17685
180: ok 17686
180: ok 17687
180: ok 17688
180: ok 17689
180: ok 17690
180: ok 17691
180: ok 17692
180: ok 17693
180: ok 17694
180: ok 17695
180: ok 17696
180: ok 17697
180: ok 17698
180: ok 17699
180: ok 17700
180: ok 17701
180: ok 17702
180: ok 17703
180: ok 17704
180: ok 17705
180: ok 17706
180: ok 17707
180: ok 17708
180: ok 17709
180: ok 17710
180: ok 17711
180: ok 17712
180: ok 17713
180: ok 17714
180: ok 17715
180: ok 17716
180: ok 17717
180: ok 17718
180: ok 17719
180: ok 17720
180: ok 17721
180: ok 17722
180: ok 17723
180: ok 17724
180: ok 17725
180: ok 17726
180: ok 17727
180: ok 17728
180: ok 17729
180: ok 17730
180: ok 17731
180: ok 17732
180: ok 17733
180: ok 17734
180: ok 17735
180: ok 17736
180: ok 17737
180: ok 17738
180: ok 17739
180: ok 17740
180: ok 17741
180: ok 17742
180: ok 17743
180: ok 17744
180: ok 17745
180: ok 17746
180: ok 17747
180: ok 17748
180: ok 17749
180: ok 17750
180: ok 17751
180: ok 17752
180: ok 17753
180: ok 17754
180: ok 17755
180: ok 17756
180: ok 17757
180: ok 17758
180: ok 17759
180: ok 17760
180: ok 17761
180: ok 17762
180: ok 17763
180: ok 17764
180: ok 17765
180: ok 17766
180: ok 17767
180: ok 17768
180: ok 17769
180: ok 17770
180: ok 17771
180: ok 17772
180: ok 17773
180: ok 17774
180: ok 17775
180: ok 17776
180: ok 17777
180: ok 17778
180: ok 17779
180: ok 17780
180: ok 17781
180: ok 17782
180: ok 17783
180: ok 17784
180: ok 17785
180: ok 17786
180: ok 17787
180: ok 17788
180: ok 17789
180: ok 17790
180: ok 17791
180: ok 17792
180: ok 17793
180: ok 17794
180: ok 17795
180: ok 17796
180: ok 17797
180: ok 17798
180: ok 17799
180: ok 17800
180: ok 17801
180: ok 17802
180: ok 17803
180: ok 17804
180: ok 17805
180: ok 17806
180: ok 17807
180: ok 17808
180: ok 17809
180: ok 17810
180: ok 17811
180: ok 17812
180: ok 17813
180: ok 17814
180: ok 17815
180: ok 17816
180: ok 17817
180: ok 17818
180: ok 17819
180: ok 17820
180: ok 17821
180: ok 17822
180: ok 17823
180: ok 17824
180: ok 17825
180: ok 17826
180: ok 17827
180: ok 17828
180: ok 17829
180: ok 17830
180: ok 17831
180: ok 17832
180: ok 17833
180: ok 17834
180: ok 17835
180: ok 17836
180: ok 17837
180: ok 17838
180: ok 17839
180: ok 17840
180: ok 17841
180: ok 17842
180: ok 17843
180: ok 17844
180: ok 17845
180: ok 17846
180: ok 17847
180: ok 17848
180: ok 17849
180: ok 17850
180: ok 17851
180: ok 17852
180: ok 17853
180: ok 17854
180: ok 17855
180: ok 17856
180: ok 17857
180: ok 17858
180: ok 17859
180: ok 17860
180: ok 17861
180: ok 17862
180: ok 17863
180: ok 17864
180: ok 17865
180: ok 17866
180: ok 17867
180: ok 17868
180: ok 17869
180: ok 17870
180: ok 17871
180: ok 17872
180: ok 17873
180: ok 17874
180: ok 17875
180: ok 17876
180: ok 17877
180: ok 17878
180: ok 17879
180: ok 17880
180: ok 17881
180: ok 17882
180: ok 17883
180: ok 17884
180: ok 17885
180: ok 17886
180: ok 17887
180: ok 17888
180: ok 17889
180: ok 17890
180: ok 17891
180: ok 17892
180: ok 17893
180: ok 17894
180: ok 17895
180: ok 17896
180: ok 17897
180: ok 17898
180: ok 17899
180: ok 17900
180: ok 17901
180: ok 17902
180: ok 17903
180: ok 17904
180: ok 17905
180: ok 17906
180: ok 17907
180: ok 17908
180: ok 17909
180: ok 17910
180: ok 17911
180: ok 17912
180: ok 17913
180: ok 17914
180: ok 17915
180: ok 17916
180: ok 17917
180: ok 17918
180: ok 17919
180: ok 17920
180: ok 17921
180: ok 17922
180: ok 17923
180: ok 17924
180: ok 17925
180: ok 17926
180: ok 17927
180: ok 17928
180: ok 17929
180: ok 17930
180: ok 17931
180: ok 17932
180: ok 17933
180: ok 17934
180: ok 17935
180: ok 17936
180: ok 17937
180: ok 17938
180: ok 17939
180: ok 17940
180: ok 17941
180: ok 17942
180: ok 17943
180: ok 17944
180: ok 17945
180: ok 17946
180: ok 17947
180: ok 17948
180: ok 17949
180: ok 17950
180: ok 17951
180: ok 17952
180: ok 17953
180: ok 17954
180: ok 17955
180: ok 17956
180: ok 17957
180: ok 17958
180: ok 17959
180: ok 17960
180: ok 17961
180: ok 17962
180: ok 17963
180: ok 17964
180: ok 17965
180: ok 17966
180: ok 17967
180: ok 17968
180: ok 17969
180: ok 17970
180: ok 17971
180: ok 17972
180: ok 17973
180: ok 17974
180: ok 17975
180: ok 17976
180: ok 17977
180: ok 17978
180: ok 17979
180: ok 17980
180: ok 17981
180: ok 17982
180: ok 17983
180: ok 17984
180: ok 17985
180: ok 17986
180: ok 17987
180: ok 17988
180: ok 17989
180: ok 17990
180: ok 17991
180: ok 17992
180: ok 17993
180: ok 17994
180: ok 17995
180: ok 17996
180: ok 17997
180: ok 17998
180: ok 17999
180: ok 18000
180: ok 18001
180: ok 18002
180: ok 18003
180: ok 18004
180: ok 18005
180: ok 18006
180: ok 18007
180: ok 18008
180: ok 18009
180: ok 18010
180: ok 18011
180: ok 18012
180: ok 18013
180: ok 18014
180: ok 18015
180: ok 18016
180: ok 18017
180: ok 18018
180: ok 18019
180: ok 18020
180: ok 18021
180: ok 18022
180: ok 18023
180: ok 18024
180: ok 18025
180: ok 18026
180: ok 18027
180: ok 18028
180: ok 18029
180: ok 18030
180: ok 18031
180: ok 18032
180: ok 18033
180: ok 18034
180: ok 18035
180: ok 18036
180: ok 18037
180: ok 18038
180: ok 18039
180: ok 18040
180: ok 18041
180: ok 18042
180: ok 18043
180: ok 18044
180: ok 18045
180: ok 18046
180: ok 18047
180: ok 18048
180: ok 18049
180: ok 18050
180: ok 18051
180: ok 18052
180: ok 18053
180: ok 18054
180: ok 18055
180: ok 18056
180: ok 18057
180: ok 18058
180: ok 18059
180: ok 18060
180: ok 18061
180: ok 18062
180: ok 18063
180: ok 18064
180: ok 18065
180: ok 18066
180: ok 18067
180: ok 18068
180: ok 18069
180: ok 18070
180: ok 18071
180: ok 18072
180: ok 18073
180: ok 18074
180: ok 18075
180: ok 18076
180: ok 18077
180: ok 18078
180: ok 18079
180: ok 18080
180: ok 18081
180: ok 18082
180: ok 18083
180: ok 18084
180: ok 18085
180: ok 18086
180: ok 18087
180: ok 18088
180: ok 18089
180: ok 18090
180: ok 18091
180: ok 18092
180: ok 18093
180: ok 18094
180: ok 18095
180: ok 18096
180: ok 18097
180: ok 18098
180: ok 18099
180: ok 18100
180: ok 18101
180: ok 18102
180: ok 18103
180: ok 18104
180: ok 18105
180: ok 18106
180: ok 18107
180: ok 18108
180: ok 18109
180: ok 18110
180: ok 18111
180: ok 18112
180: ok 18113
180: ok 18114
180: ok 18115
180: ok 18116
180: ok 18117
180: ok 18118
180: ok 18119
180: ok 18120
180: ok 18121
180: ok 18122
180: ok 18123
180: ok 18124
180: ok 18125
180: ok 18126
180: ok 18127
180: ok 18128
180: ok 18129
180: ok 18130
180: ok 18131
180: ok 18132
180: ok 18133
180: ok 18134
180: ok 18135
180: ok 18136
180: ok 18137
180: ok 18138
180: ok 18139
180: ok 18140
180: ok 18141
180: ok 18142
180: ok 18143
180: ok 18144
180: ok 18145
180: ok 18146
180: ok 18147
180: ok 18148
180: ok 18149
180: ok 18150
180: ok 18151
180: ok 18152
180: ok 18153
180: ok 18154
180: ok 18155
180: ok 18156
180: ok 18157
180: ok 18158
180: ok 18159
180: ok 18160
180: ok 18161
180: ok 18162
180: ok 18163
180: ok 18164
180: ok 18165
180: ok 18166
180: ok 18167
180: ok 18168
180: ok 18169
180: ok 18170
180: ok 18171
180: ok 18172
180: ok 18173
180: ok 18174
180: ok 18175
180: ok 18176
180: ok 18177
180: ok 18178
180: ok 18179
180: ok 18180
180: ok 18181
180: ok 18182
180: ok 18183
180: ok 18184
180: ok 18185
180: ok 18186
180: ok 18187
180: ok 18188
180: ok 18189
180: ok 18190
180: ok 18191
180: ok 18192
180: ok 18193
180: ok 18194
180: ok 18195
180: ok 18196
180: ok 18197
180: ok 18198
180: ok 18199
180: ok 18200
180: ok 18201
180: ok 18202
180: ok 18203
180: ok 18204
180: ok 18205
180: ok 18206
180: ok 18207
180: ok 18208
180: ok 18209
180: ok 18210
180: ok 18211
180: ok 18212
180: ok 18213
180: ok 18214
180: ok 18215
180: ok 18216
180: ok 18217
180: ok 18218
180: ok 18219
180: ok 18220
180: ok 18221
180: ok 18222
180: ok 18223
180: ok 18224
180: ok 18225
180: ok 18226
180: ok 18227
180: ok 18228
180: ok 18229
180: ok 18230
180: ok 18231
180: ok 18232
180: ok 18233
180: ok 18234
180: ok 18235
180: ok 18236
180: ok 18237
180: ok 18238
180: ok 18239
180: ok 18240
180: ok 18241
180: ok 18242
180: ok 18243
180: ok 18244
180: ok 18245
180: ok 18246
180: ok 18247
180: ok 18248
180: ok 18249
180: ok 18250
180: ok 18251
180: ok 18252
180: ok 18253
180: ok 18254
180: ok 18255
180: ok 18256
180: ok 18257
180: ok 18258
180: ok 18259
180: ok 18260
180: ok 18261
180: ok 18262
180: ok 18263
180: ok 18264
180: ok 18265
180: ok 18266
180: ok 18267
180: ok 18268
180: ok 18269
180: ok 18270
180: ok 18271
180: ok 18272
180: ok 18273
180: ok 18274
180: ok 18275
180: ok 18276
180: ok 18277
180: ok 18278
180: ok 18279
180: ok 18280
180: ok 18281
180: ok 18282
180: ok 18283
180: ok 18284
180: ok 18285
180: ok 18286
180: ok 18287
180: ok 18288
180: ok 18289
180: ok 18290
180: ok 18291
180: ok 18292
180: ok 18293
180: ok 18294
180: ok 18295
180: ok 18296
180: ok 18297
180: ok 18298
180: ok 18299
180: ok 18300
180: ok 18301
180: ok 18302
180: ok 18303
180: ok 18304
180: ok 18305
180: ok 18306
180: ok 18307
180: ok 18308
180: ok 18309
180: ok 18310
180: ok 18311
180: ok 18312
180: ok 18313
180: ok 18314
180: ok 18315
180: ok 18316
180: ok 18317
180: ok 18318
180: ok 18319
180: ok 18320
180: ok 18321
180: ok 18322
180: ok 18323
180: ok 18324
180: ok 18325
180: ok 18326
180: ok 18327
180: ok 18328
180: ok 18329
180: ok 18330
180: ok 18331
180: ok 18332
180: ok 18333
180: ok 18334
180: ok 18335
180: ok 18336
180: ok 18337
180: ok 18338
180: ok 18339
180: ok 18340
180: ok 18341
180: ok 18342
180: ok 18343
180: ok 18344
180: ok 18345
180: ok 18346
180: ok 18347
180: ok 18348
180: ok 18349
180: ok 18350
180: ok 18351
180: ok 18352
180: ok 18353
180: ok 18354
180: ok 18355
180: ok 18356
180: ok 18357
180: ok 18358
180: ok 18359
180: ok 18360
180: ok 18361
180: ok 18362
180: ok 18363
180: ok 18364
180: ok 18365
180: ok 18366
180: ok 18367
180: ok 18368
180: ok 18369
180: ok 18370
180: ok 18371
180: ok 18372
180: ok 18373
180: ok 18374
180: ok 18375
180: ok 18376
180: ok 18377
180: ok 18378
180: ok 18379
180: ok 18380
180: ok 18381
180: ok 18382
180: ok 18383
180: ok 18384
180: ok 18385
180: ok 18386
180: ok 18387
180: ok 18388
180: ok 18389
180: ok 18390
180: ok 18391
180: ok 18392
180: ok 18393
180: ok 18394
180: ok 18395
180: ok 18396
180: ok 18397
180: ok 18398
180: ok 18399
180: ok 18400
180: ok 18401
180: ok 18402
180: ok 18403
180: ok 18404
180: ok 18405
180: ok 18406
180: ok 18407
180: ok 18408
180: ok 18409
180: ok 18410
180: ok 18411
180: ok 18412
180: ok 18413
180: ok 18414
180: ok 18415
180: ok 18416
180: ok 18417
180: ok 18418
180: ok 18419
180: ok 18420
180: ok 18421
180: ok 18422
180: ok 18423
180: ok 18424
180: ok 18425
180: ok 18426
180: ok 18427
180: ok 18428
180: ok 18429
180: ok 18430
180: ok 18431
180: ok 18432
180: ok 18433
180: ok 18434
180: ok 18435
180: ok 18436
180: ok 18437
180: ok 18438
180: ok 18439
180: ok 18440
180: ok 18441
180: ok 18442
180: ok 18443
180: ok 18444
180: ok 18445
180: ok 18446
180: ok 18447
180: ok 18448
180: ok 18449
180: ok 18450
180: ok 18451
180: ok 18452
180: ok 18453
180: ok 18454
180: ok 18455
180: ok 18456
180: ok 18457
180: ok 18458
180: ok 18459
180: ok 18460
180: ok 18461
180: ok 18462
180: ok 18463
180: ok 18464
180: ok 18465
180: ok 18466
180: ok 18467
180: ok 18468
180: ok 18469
180: ok 18470
180: ok 18471
180: ok 18472
180: ok 18473
180: ok 18474
180: ok 18475
180: ok 18476
180: ok 18477
180: ok 18478
180: ok 18479
180: ok 18480
180: ok 18481
180: ok 18482
180: ok 18483
180: ok 18484
180: ok 18485
180: ok 18486
180: ok 18487
180: ok 18488
180: ok 18489
180: ok 18490
180: ok 18491
180: ok 18492
180: ok 18493
180: ok 18494
180: ok 18495
180: ok 18496
180: ok 18497
180: ok 18498
180: ok 18499
180: ok 18500
180: ok 18501
180: ok 18502
180: ok 18503
180: ok 18504
180: ok 18505
180: ok 18506
180: ok 18507
180: ok 18508
180: ok 18509
180: ok 18510
180: ok 18511
180: ok 18512
180: ok 18513
180: ok 18514
180: ok 18515
180: ok 18516
180: ok 18517
180: ok 18518
180: ok 18519
180: ok 18520
180: ok 18521
180: ok 18522
180: ok 18523
180: ok 18524
180: ok 18525
180: ok 18526
180: ok 18527
180: ok 18528
180: ok 18529
180: ok 18530
180: ok 18531
180: ok 18532
180: ok 18533
180: ok 18534
180: ok 18535
180: ok 18536
180: ok 18537
180: ok 18538
180: ok 18539
180: ok 18540
180: ok 18541
180: ok 18542
180: ok 18543
180: ok 18544
180: ok 18545
180: ok 18546
180: ok 18547
180: ok 18548
180: ok 18549
180: ok 18550
180: ok 18551
180: ok 18552
180: ok 18553
180: ok 18554
180: ok 18555
180: ok 18556
180: ok 18557
180: ok 18558
180: ok 18559
180: ok 18560
180: ok 18561
180: ok 18562
180: ok 18563
180: ok 18564
180: ok 18565
180: ok 18566
180: ok 18567
180: ok 18568
180: ok 18569
180: ok 18570
180: ok 18571
180: ok 18572
180: ok 18573
180: ok 18574
180: ok 18575
180: ok 18576
180: ok 18577
180: ok 18578
180: ok 18579
180: ok 18580
180: ok 18581
180: ok 18582
180: ok 18583
180: ok 18584
180: ok 18585
180: ok 18586
180: ok 18587
180: ok 18588
180: ok 18589
180: ok 18590
180: ok 18591
180: ok 18592
180: ok 18593
180: ok 18594
180: ok 18595
180: ok 18596
180: ok 18597
180: ok 18598
180: ok 18599
180: ok 18600
180: ok 18601
180: ok 18602
180: ok 18603
180: ok 18604
180: ok 18605
180: ok 18606
180: ok 18607
180: ok 18608
180: ok 18609
180: ok 18610
180: ok 18611
180: ok 18612
180: ok 18613
180: ok 18614
180: ok 18615
180: ok 18616
180: ok 18617
180: ok 18618
180: ok 18619
180: ok 18620
180: ok 18621
180: ok 18622
180: ok 18623
180: ok 18624
180: ok 18625
180: ok 18626
180: ok 18627
180: ok 18628
180: ok 18629
180: ok 18630
180: ok 18631
180: ok 18632
180: ok 18633
180: ok 18634
180: ok 18635
180: ok 18636
180: ok 18637
180: ok 18638
180: ok 18639
180: ok 18640
180: ok 18641
180: ok 18642
180: ok 18643
180: ok 18644
180: ok 18645
180: ok 18646
180: ok 18647
180: ok 18648
180: ok 18649
180: ok 18650
180: ok 18651
180: ok 18652
180: ok 18653
180: ok 18654
180: ok 18655
180: ok 18656
180: ok 18657
180: ok 18658
180: ok 18659
180: ok 18660
180: ok 18661
180: ok 18662
180: ok 18663
180: ok 18664
180: ok 18665
180: ok 18666
180: ok 18667
180: ok 18668
180: ok 18669
180: ok 18670
180: ok 18671
180: ok 18672
180: ok 18673
180: ok 18674
180: ok 18675
180: ok 18676
180: ok 18677
180: ok 18678
180: ok 18679
180: ok 18680
180: ok 18681
180: ok 18682
180: ok 18683
180: ok 18684
180: ok 18685
180: ok 18686
180: ok 18687
180: ok 18688
180: ok 18689
180: ok 18690
180: ok 18691
180: ok 18692
180: ok 18693
180: ok 18694
180: ok 18695
180: ok 18696
180: ok 18697
180: ok 18698
180: ok 18699
180: ok 18700
180: ok 18701
180: ok 18702
180: ok 18703
180: ok 18704
180: ok 18705
180: ok 18706
180: ok 18707
180: ok 18708
180: ok 18709
180: ok 18710
180: ok 18711
180: ok 18712
180: ok 18713
180: ok 18714
180: ok 18715
180: ok 18716
180: ok 18717
180: ok 18718
180: ok 18719
180: ok 18720
180: ok 18721
180: ok 18722
180: ok 18723
180: ok 18724
180: ok 18725
180: ok 18726
180: ok 18727
180: ok 18728
180: ok 18729
180: ok 18730
180: ok 18731
180: ok 18732
180: ok 18733
180: ok 18734
180: ok 18735
180: ok 18736
180: ok 18737
180: ok 18738
180: ok 18739
180: ok 18740
180: ok 18741
180: ok 18742
180: ok 18743
180: ok 18744
180: ok 18745
180: ok 18746
180: ok 18747
180: ok 18748
180: ok 18749
180: ok 18750
180: ok 18751
180: ok 18752
180: ok 18753
180: ok 18754
180: ok 18755
180: ok 18756
180: ok 18757
180: ok 18758
180: ok 18759
180: ok 18760
180: ok 18761
180: ok 18762
180: ok 18763
180: ok 18764
180: ok 18765
180: ok 18766
180: ok 18767
180: ok 18768
180: ok 18769
180: ok 18770
180: ok 18771
180: ok 18772
180: ok 18773
180: ok 18774
180: ok 18775
180: ok 18776
180: ok 18777
180: ok 18778
180: ok 18779
180: ok 18780
180: ok 18781
180: ok 18782
180: ok 18783
180: ok 18784
180: ok 18785
180: ok 18786
180: ok 18787
180: ok 18788
180: ok 18789
180: ok 18790
180: ok 18791
180: ok 18792
180: ok 18793
180: ok 18794
180: ok 18795
180: ok 18796
180: ok 18797
180: ok 18798
180: ok 18799
180: ok 18800
180: ok 18801
180: ok 18802
180: ok 18803
180: ok 18804
180: ok 18805
180: ok 18806
180: ok 18807
180: ok 18808
180: ok 18809
180: ok 18810
180: ok 18811
180: ok 18812
180: ok 18813
180: ok 18814
180: ok 18815
180: ok 18816
180: ok 18817
180: ok 18818
180: ok 18819
180: ok 18820
180: ok 18821
180: ok 18822
180: ok 18823
180: ok 18824
180: ok 18825
180: ok 18826
180: ok 18827
180: ok 18828
180: ok 18829
180: ok 18830
180: ok 18831
180: ok 18832
180: ok 18833
180: ok 18834
180: ok 18835
180: ok 18836
180: ok 18837
180: ok 18838
180: ok 18839
180: ok 18840
180: ok 18841
180: ok 18842
180: ok 18843
180: ok 18844
180: ok 18845
180: ok 18846
180: ok 18847
180: ok 18848
180: ok 18849
180: ok 18850
180: ok 18851
180: ok 18852
180: ok 18853
180: ok 18854
180: ok 18855
180: ok 18856
180: ok 18857
180: ok 18858
180: ok 18859
180: ok 18860
180: ok 18861
180: ok 18862
180: ok 18863
180: ok 18864
180: ok 18865
180: ok 18866
180: ok 18867
180: ok 18868
180: ok 18869
180: ok 18870
180: ok 18871
180: ok 18872
180: ok 18873
180: ok 18874
180: ok 18875
180: ok 18876
180: ok 18877
180: ok 18878
180: ok 18879
180: ok 18880
180: ok 18881
180: ok 18882
180: ok 18883
180: ok 18884
180: ok 18885
180: ok 18886
180: ok 18887
180: ok 18888
180: ok 18889
180: ok 18890
180: ok 18891
180: ok 18892
180: ok 18893
180: ok 18894
180: ok 18895
180: ok 18896
180: ok 18897
180: ok 18898
180: ok 18899
180: ok 18900
180: ok 18901
180: ok 18902
180: ok 18903
180: ok 18904
180: ok 18905
180: ok 18906
180: ok 18907
180: ok 18908
180: ok 18909
180: ok 18910
180: ok 18911
180: ok 18912
180: ok 18913
180: ok 18914
180: ok 18915
180: ok 18916
180: ok 18917
180: ok 18918
180: ok 18919
180: ok 18920
180: ok 18921
180: ok 18922
180: ok 18923
180: ok 18924
180: ok 18925
180: ok 18926
180: ok 18927
180: ok 18928
180: ok 18929
180: ok 18930
180: ok 18931
180: ok 18932
180: ok 18933
180: ok 18934
180: ok 18935
180: ok 18936
180: ok 18937
180: ok 18938
180: ok 18939
180: ok 18940
180: ok 18941
180: ok 18942
180: ok 18943
180: ok 18944
180: ok 18945
180: ok 18946
180: ok 18947
180: ok 18948
180: ok 18949
180: ok 18950
180: ok 18951
180: ok 18952
180: ok 18953
180: ok 18954
180: ok 18955
180: ok 18956
180: ok 18957
180: ok 18958
180: ok 18959
180: ok 18960
180: ok 18961
180: ok 18962
180: ok 18963
180: ok 18964
180: ok 18965
180: ok 18966
180: ok 18967
180: ok 18968
180: ok 18969
180: ok 18970
180: ok 18971
180: ok 18972
180: ok 18973
180: ok 18974
180: ok 18975
180: ok 18976
180: ok 18977
180: ok 18978
180: ok 18979
180: ok 18980
180: ok 18981
180: ok 18982
180: ok 18983
180: ok 18984
180: ok 18985
180: ok 18986
180: ok 18987
180: ok 18988
180: ok 18989
180: ok 18990
180: ok 18991
180: ok 18992
180: ok 18993
180: ok 18994
180: ok 18995
180: ok 18996
180: ok 18997
180: ok 18998
180: ok 18999
180: ok 19000
180: ok 19001
180: ok 19002
180: ok 19003
180: ok 19004
180: ok 19005
180: ok 19006
180: ok 19007
180: ok 19008
180: ok 19009
180: ok 19010
180: ok 19011
180: ok 19012
180: ok 19013
180: ok 19014
180: ok 19015
180: ok 19016
180: ok 19017
180: ok 19018
180: ok 19019
180: ok 19020
180: ok 19021
180: ok 19022
180: ok 19023
180: ok 19024
180: ok 19025
180: ok 19026
180: ok 19027
180: ok 19028
180: ok 19029
180: ok 19030
180: ok 19031
180: ok 19032
180: ok 19033
180: ok 19034
180: ok 19035
180: ok 19036
180: ok 19037
180: ok 19038
180: ok 19039
180: ok 19040
180: ok 19041
180: ok 19042
180: ok 19043
180: ok 19044
180: ok 19045
180: ok 19046
180: ok 19047
180: ok 19048
180: ok 19049
180: ok 19050
180: ok 19051
180: ok 19052
180: ok 19053
180: ok 19054
180: ok 19055
180: ok 19056
180: ok 19057
180: ok 19058
180: ok 19059
180: ok 19060
180: ok 19061
180: ok 19062
180: ok 19063
180: ok 19064
180: ok 19065
180: ok 19066
180: ok 19067
180: ok 19068
180: ok 19069
180: ok 19070
180: ok 19071
180: ok 19072
180: ok 19073
180: ok 19074
180: ok 19075
180: ok 19076
180: ok 19077
180: ok 19078
180: ok 19079
180: ok 19080
180: ok 19081
180: ok 19082
180: ok 19083
180: ok 19084
180: ok 19085
180: ok 19086
180: ok 19087
180: ok 19088
180: ok 19089
180: ok 19090
180: ok 19091
180: ok 19092
180: ok 19093
180: ok 19094
180: ok 19095
180: ok 19096
180: ok 19097
180: ok 19098
180: ok 19099
180: ok 19100
180: ok 19101
180: ok 19102
180: ok 19103
180: ok 19104
180: ok 19105
180: ok 19106
180: ok 19107
180: ok 19108
180: ok 19109
180: ok 19110
180: ok 19111
180: ok 19112
180: ok 19113
180: ok 19114
180: ok 19115
180: ok 19116
180: ok 19117
180: ok 19118
180: ok 19119
180: ok 19120
180: ok 19121
180: ok 19122
180: ok 19123
180: ok 19124
180: ok 19125
180: ok 19126
180: ok 19127
180: ok 19128
180: ok 19129
180: ok 19130
180: ok 19131
180: ok 19132
180: ok 19133
180: ok 19134
180: ok 19135
180: ok 19136
180: ok 19137
180: ok 19138
180: ok 19139
180: ok 19140
180: ok 19141
180: ok 19142
180: ok 19143
180: ok 19144
180: ok 19145
180: ok 19146
180: ok 19147
180: ok 19148
180: ok 19149
180: ok 19150
180: ok 19151
180: ok 19152
180: ok 19153
180: ok 19154
180: ok 19155
180: ok 19156
180: ok 19157
180: ok 19158
180: ok 19159
180: ok 19160
180: ok 19161
180: ok 19162
180: ok 19163
180: ok 19164
180: ok 19165
180: ok 19166
180: ok 19167
180: ok 19168
180: ok 19169
180: ok 19170
180: ok 19171
180: ok 19172
180: ok 19173
180: ok 19174
180: ok 19175
180: ok 19176
180: ok 19177
180: ok 19178
180: ok 19179
180: ok 19180
180: ok 19181
180: ok 19182
180: ok 19183
180: ok 19184
180: ok 19185
180: ok 19186
180: ok 19187
180: ok 19188
180: ok 19189
180: ok 19190
180: ok 19191
180: ok 19192
180: ok 19193
180: ok 19194
180: ok 19195
180: ok 19196
180: ok 19197
180: ok 19198
180: ok 19199
180: ok 19200
180: ok 19201
180: ok 19202
180: ok 19203
180: ok 19204
180: ok 19205
180: ok 19206
180: ok 19207
180: ok 19208
180: ok 19209
180: ok 19210
180: ok 19211
180: ok 19212
180: ok 19213
180: ok 19214
180: ok 19215
180: ok 19216
180: ok 19217
180: ok 19218
180: ok 19219
180: ok 19220
180: ok 19221
180: ok 19222
180: ok 19223
180: ok 19224
180: ok 19225
180: ok 19226
180: ok 19227
180: ok 19228
180: ok 19229
180: ok 19230
180: ok 19231
180: ok 19232
180: ok 19233
180: ok 19234
180: ok 19235
180: ok 19236
180: ok 19237
180: ok 19238
180: ok 19239
180: ok 19240
180: ok 19241
180: ok 19242
180: ok 19243
180: ok 19244
180: ok 19245
180: ok 19246
180: ok 19247
180: ok 19248
180: ok 19249
180: ok 19250
180: ok 19251
180: ok 19252
180: ok 19253
180: ok 19254
180: ok 19255
180: ok 19256
180: ok 19257
180: ok 19258
180: ok 19259
180: ok 19260
180: ok 19261
180: ok 19262
180: ok 19263
180: ok 19264
180: ok 19265
180: ok 19266
180: ok 19267
180: ok 19268
180: ok 19269
180: ok 19270
180: ok 19271
180: ok 19272
180: ok 19273
180: ok 19274
180: ok 19275
180: ok 19276
180: ok 19277
180: ok 19278
180: ok 19279
180: ok 19280
180: ok 19281
180: ok 19282
180: ok 19283
180: ok 19284
180: ok 19285
180: ok 19286
180: ok 19287
180: ok 19288
180: ok 19289
180: ok 19290
180: ok 19291
180: ok 19292
180: ok 19293
180: ok 19294
180: ok 19295
180: ok 19296
180: ok 19297
180: ok 19298
180: ok 19299
180: ok 19300
180: ok 19301
180: ok 19302
180: ok 19303
180: ok 19304
180: ok 19305
180: ok 19306
180: ok 19307
180: ok 19308
180: ok 19309
180: ok 19310
180: ok 19311
180: ok 19312
180: ok 19313
180: ok 19314
180: ok 19315
180: ok 19316
180: ok 19317
180: ok 19318
180: ok 19319
180: ok 19320
180: ok 19321
180: ok 19322
180: ok 19323
180: ok 19324
180: ok 19325
180: ok 19326
180: ok 19327
180: ok 19328
180: ok 19329
180: ok 19330
180: ok 19331
180: ok 19332
180: ok 19333
180: ok 19334
180: ok 19335
180: ok 19336
180: ok 19337
180: ok 19338
180: ok 19339
180: ok 19340
180: ok 19341
180: ok 19342
180: ok 19343
180: ok 19344
180: ok 19345
180: ok 19346
180: ok 19347
180: ok 19348
180: ok 19349
180: ok 19350
180: ok 19351
180: ok 19352
180: ok 19353
180: ok 19354
180: ok 19355
180: ok 19356
180: ok 19357
180: ok 19358
180: ok 19359
180: ok 19360
180: ok 19361
180: ok 19362
180: ok 19363
180: ok 19364
180: ok 19365
180: ok 19366
180: ok 19367
180: ok 19368
180: ok 19369
180: ok 19370
180: ok 19371
180: ok 19372
180: ok 19373
180: ok 19374
180: ok 19375
180: ok 19376
180: ok 19377
180: ok 19378
180: ok 19379
180: ok 19380
180: ok 19381
180: ok 19382
180: ok 19383
180: ok 19384
180: ok 19385
180: ok 19386
180: ok 19387
180: ok 19388
180: ok 19389
180: ok 19390
180: ok 19391
180: ok 19392
180: ok 19393
180: ok 19394
180: ok 19395
180: ok 19396
180: ok 19397
180: ok 19398
180: ok 19399
180: ok 19400
180: ok 19401
180: ok 19402
180: ok 19403
180: ok 19404
180: ok 19405
180: ok 19406
180: ok 19407
180: ok 19408
180: ok 19409
180: ok 19410
180: ok 19411
180: ok 19412
180: ok 19413
180: ok 19414
180: ok 19415
180: ok 19416
180: ok 19417
180: ok 19418
180: ok 19419
180: ok 19420
180: ok 19421
180: ok 19422
180: ok 19423
180: ok 19424
180: ok 19425
180: ok 19426
180: ok 19427
180: ok 19428
180: ok 19429
180: ok 19430
180: ok 19431
180: ok 19432
180: ok 19433
180: ok 19434
180: ok 19435
180: ok 19436
180: ok 19437
180: ok 19438
180: ok 19439
180: ok 19440
180: ok 19441
180: ok 19442
180: ok 19443
180: ok 19444
180: ok 19445
180: ok 19446
180: ok 19447
180: ok 19448
180: ok 19449
180: ok 19450
180: ok 19451
180: ok 19452
180: ok 19453
180: ok 19454
180: ok 19455
180: ok 19456
180: ok 19457
180: ok 19458
180: ok 19459
180: ok 19460
180: ok 19461
180: ok 19462
180: ok 19463
180: ok 19464
180: ok 19465
180: ok 19466
180: ok 19467
180: ok 19468
180: ok 19469
180: ok 19470
180: ok 19471
180: ok 19472
180: ok 19473
180: ok 19474
180: ok 19475
180: ok 19476
180: ok 19477
180: ok 19478
180: ok 19479
180: ok 19480
180: ok 19481
180: ok 19482
180: ok 19483
180: ok 19484
180: ok 19485
180: ok 19486
180: ok 19487
180: ok 19488
180: ok 19489
180: ok 19490
180: ok 19491
180: ok 19492
180: ok 19493
180: ok 19494
180: ok 19495
180: ok 19496
180: ok 19497
180: ok 19498
180: ok 19499
180: ok 19500
180: ok 19501
180: ok 19502
180: ok 19503
180: ok 19504
180: ok 19505
180: ok 19506
180: ok 19507
180: ok 19508
180: ok 19509
180: ok 19510
180: ok 19511
180: ok 19512
180: ok 19513
180: ok 19514
180: ok 19515
180: ok 19516
180: ok 19517
180: ok 19518
180: ok 19519
180: ok 19520
180: ok 19521
180: ok 19522
180: ok 19523
180: ok 19524
180: ok 19525
180: ok 19526
180: ok 19527
180: ok 19528
180: ok 19529
180: ok 19530
180: ok 19531
180: ok 19532
180: ok 19533
180: ok 19534
180: ok 19535
180: ok 19536
180: ok 19537
180: ok 19538
180: ok 19539
180: ok 19540
180: ok 19541
180: ok 19542
180: ok 19543
180: ok 19544
180: ok 19545
180: ok 19546
180: ok 19547
180: ok 19548
180: ok 19549
180: ok 19550
180: ok 19551
180: ok 19552
180: ok 19553
180: ok 19554
180: ok 19555
180: ok 19556
180: ok 19557
180: ok 19558
180: ok 19559
180: ok 19560
180: ok 19561
180: ok 19562
180: ok 19563
180: ok 19564
180: ok 19565
180: ok 19566
180: ok 19567
180: ok 19568
180: ok 19569
180: ok 19570
180: ok 19571
180: ok 19572
180: ok 19573
180: ok 19574
180: ok 19575
180: ok 19576
180: ok 19577
180: ok 19578
180: ok 19579
180: ok 19580
180: ok 19581
180: ok 19582
180: ok 19583
180: ok 19584
180: ok 19585
180: ok 19586
180: ok 19587
180: ok 19588
180: ok 19589
180: ok 19590
180: ok 19591
180: ok 19592
180: ok 19593
180: ok 19594
180: ok 19595
180: ok 19596
180: ok 19597
180: ok 19598
180: ok 19599
180: ok 19600
180: ok 19601
180: ok 19602
180: ok 19603
180: ok 19604
180: ok 19605
180: ok 19606
180: ok 19607
180: ok 19608
180: ok 19609
180: ok 19610
180: ok 19611
180: ok 19612
180: ok 19613
180: ok 19614
180: ok 19615
180: ok 19616
180: ok 19617
180: ok 19618
180: ok 19619
180: ok 19620
180: ok 19621
180: ok 19622
180: ok 19623
180: ok 19624
180: ok 19625
180: ok 19626
180: ok 19627
180: ok 19628
180: ok 19629
180: ok 19630
180: ok 19631
180: ok 19632
180: ok 19633
180: ok 19634
180: ok 19635
180: ok 19636
180: ok 19637
180: ok 19638
180: ok 19639
180: ok 19640
180: ok 19641
180: ok 19642
180: ok 19643
180: ok 19644
180: ok 19645
180: ok 19646
180: ok 19647
180: ok 19648
180: ok 19649
180: ok 19650
180: ok 19651
180: ok 19652
180: ok 19653
180: ok 19654
180: ok 19655
180: ok 19656
180: ok 19657
180: ok 19658
180: ok 19659
180: ok 19660
180: ok 19661
180: ok 19662
180: ok 19663
180: ok 19664
180: ok 19665
180: ok 19666
180: ok 19667
180: ok 19668
180: ok 19669
180: ok 19670
180: ok 19671
180: ok 19672
180: ok 19673
180: ok 19674
180: ok 19675
180: ok 19676
180: ok 19677
180: ok 19678
180: ok 19679
180: ok 19680
180: ok 19681
180: ok 19682
180: ok 19683
180: ok 19684
180: ok 19685
180: ok 19686
180: ok 19687
180: ok 19688
180: ok 19689
180: ok 19690
180: ok 19691
180: ok 19692
180: ok 19693
180: ok 19694
180: ok 19695
180: ok 19696
180: ok 19697
180: ok 19698
180: ok 19699
180: ok 19700
180: ok 19701
180: ok 19702
180: ok 19703
180: ok 19704
180: ok 19705
180: ok 19706
180: ok 19707
180: ok 19708
180: ok 19709
180: ok 19710
180: ok 19711
180: ok 19712
180: ok 19713
180: ok 19714
180: ok 19715
180: ok 19716
180: ok 19717
180: ok 19718
180: ok 19719
180: ok 19720
180: ok 19721
180: ok 19722
180: ok 19723
180: ok 19724
180: ok 19725
180: ok 19726
180: ok 19727
180: ok 19728
180: ok 19729
180: ok 19730
180: ok 19731
180: ok 19732
180: ok 19733
180: ok 19734
180: ok 19735
180: ok 19736
180: ok 19737
180: ok 19738
180: ok 19739
180: ok 19740
180: ok 19741
180: ok 19742
180: ok 19743
180: ok 19744
180: ok 19745
180: ok 19746
180: ok 19747
180: ok 19748
180: ok 19749
180: ok 19750
180: ok 19751
180: ok 19752
180: ok 19753
180: ok 19754
180: ok 19755
180: ok 19756
180: ok 19757
180: ok 19758
180: ok 19759
180: ok 19760
180: ok 19761
180: ok 19762
180: ok 19763
180: ok 19764
180: ok 19765
180: ok 19766
180: ok 19767
180: ok 19768
180: ok 19769
180: ok 19770
180: ok 19771
180: ok 19772
180: ok 19773
180: ok 19774
180: ok 19775
180: ok 19776
180: ok 19777
180: ok 19778
180: ok 19779
180: ok 19780
180: ok 19781
180: ok 19782
180: ok 19783
180: ok 19784
180: ok 19785
180: ok 19786
180: ok 19787
180: ok 19788
180: ok 19789
180: ok 19790
180: ok 19791
180: ok 19792
180: ok 19793
180: ok 19794
180: ok 19795
180: ok 19796
180: ok 19797
180: ok 19798
180: ok 19799
180: ok 19800
180: ok 19801
180: ok 19802
180: ok 19803
180: ok 19804
180: ok 19805
180: ok 19806
180: ok 19807
180: ok 19808
180: ok 19809
180: ok 19810
180: ok 19811
180: ok 19812
180: ok 19813
180: ok 19814
180: ok 19815
180: ok 19816
180: ok 19817
180: ok 19818
180: ok 19819
180: ok 19820
180: ok 19821
180: ok 19822
180: ok 19823
180: ok 19824
180: ok 19825
180: ok 19826
180: ok 19827
180: ok 19828
180: ok 19829
180: ok 19830
180: ok 19831
180: ok 19832
180: ok 19833
180: ok 19834
180: ok 19835
180: ok 19836
180: ok 19837
180: ok 19838
180: ok 19839
180: ok 19840
180: ok 19841
180: ok 19842
180: ok 19843
180: ok 19844
180: ok 19845
180: ok 19846
180: ok 19847
180: ok 19848
180: ok 19849
180: ok 19850
180: ok 19851
180: ok 19852
180: ok 19853
180: ok 19854
180: ok 19855
180: ok 19856
180: ok 19857
180: ok 19858
180: ok 19859
180: ok 19860
180: ok 19861
180: ok 19862
180: ok 19863
180: ok 19864
180: ok 19865
180: ok 19866
180: ok 19867
180: ok 19868
180: ok 19869
180: ok 19870
180: ok 19871
180: ok 19872
180: ok 19873
180: ok 19874
180: ok 19875
180: ok 19876
180: ok 19877
180: ok 19878
180: ok 19879
180: ok 19880
180: ok 19881
180: ok 19882
180: ok 19883
180: ok 19884
180: ok 19885
180: ok 19886
180: ok 19887
180: ok 19888
180: ok 19889
180: ok 19890
180: ok 19891
180: ok 19892
180: ok 19893
180: ok 19894
180: ok 19895
180: ok 19896
180: ok 19897
180: ok 19898
180: ok 19899
180: ok 19900
180: ok 19901
180: ok 19902
180: ok 19903
180: ok 19904
180: ok 19905
180: ok 19906
180: ok 19907
180: ok 19908
180: ok 19909
180: ok 19910
180: ok 19911
180: ok 19912
180: ok 19913
180: ok 19914
180: ok 19915
180: ok 19916
180: ok 19917
180: ok 19918
180: ok 19919
180: ok 19920
180: ok 19921
180: ok 19922
180: ok 19923
180: ok 19924
180: ok 19925
180: ok 19926
180: ok 19927
180: ok 19928
180: ok 19929
180: ok 19930
180: ok 19931
180: ok 19932
180: ok 19933
180: ok 19934
180: ok 19935
180: ok 19936
180: ok 19937
180: ok 19938
180: ok 19939
180: ok 19940
180: ok 19941
180: ok 19942
180: ok 19943
180: ok 19944
180: ok 19945
180: ok 19946
180: ok 19947
180: ok 19948
180: ok 19949
180: ok 19950
180: ok 19951
180: ok 19952
180: ok 19953
180: ok 19954
180: ok 19955
180: ok 19956
180: ok 19957
180: ok 19958
180: ok 19959
180: ok 19960
180: ok 19961
180: ok 19962
180: ok 19963
180: ok 19964
180: ok 19965
180: ok 19966
180: ok 19967
180: ok 19968
180: ok 19969
180: ok 19970
180: ok 19971
180: ok 19972
180: ok 19973
180: ok 19974
180: ok 19975
180: ok 19976
180: ok 19977
180: ok 19978
180: ok 19979
180: ok 19980
180: ok 19981
180: ok 19982
180: ok 19983
180: ok 19984
180: ok 19985
180: ok 19986
180: ok 19987
180: ok 19988
180: ok 19989
180: ok 19990
180: ok 19991
180: ok 19992
180: ok 19993
180: ok 19994
180: ok 19995
180: ok 19996
180: ok 19997
180: ok 19998
180: ok 19999
180: ok 20000
180: ok 20001
180: ok 20002
180: ok 20003
180: ok 20004
180: ok 20005
180: ok 20006
180: ok 20007
180: ok 20008
180: ok 20009
180: ok 20010
180: ok 20011
180: ok 20012
180: ok 20013
180: ok 20014
180: ok 20015
180: ok 20016
180: ok 20017
180: ok 20018
180: ok 20019
180: ok 20020
180: ok 20021
180: ok 20022
180: ok 20023
180: ok 20024
180: ok 20025
180: ok 20026
180: ok 20027
180: ok 20028
180: ok 20029
180: ok 20030
180: ok 20031
180: ok 20032
180: ok 20033
180: ok 20034
180: ok 20035
180: ok 20036
180: ok 20037
180: ok 20038
180: ok 20039
180: ok 20040
180: ok 20041
180: ok 20042
180: ok 20043
180: ok 20044
180: ok 20045
180: ok 20046
180: ok 20047
180: ok 20048
180: ok 20049
180: ok 20050
180: ok 20051
180: ok 20052
180: ok 20053
180: ok 20054
180: ok 20055
180: ok 20056
180: ok 20057
180: ok 20058
180: ok 20059
180: ok 20060
180: ok 20061
180: ok 20062
180: ok 20063
180: ok 20064
180: ok 20065
180: ok 20066
180: ok 20067
180: ok 20068
180: ok 20069
180: ok 20070
180: ok 20071
180: ok 20072
180: ok 20073
180: ok 20074
180: ok 20075
180: ok 20076
180: ok 20077
180: ok 20078
180: ok 20079
180: ok 20080
180: ok 20081
180: ok 20082
180: ok 20083
180: ok 20084
180: ok 20085
180: ok 20086
180: ok 20087
180: ok 20088
180: ok 20089
180: ok 20090
180: ok 20091
180: ok 20092
180: ok 20093
180: ok 20094
180: ok 20095
180: ok 20096
180: ok 20097
180: ok 20098
180: ok 20099
180: ok 20100
180: ok 20101
180: ok 20102
180: ok 20103
180: ok 20104
180: ok 20105
180: ok 20106
180: ok 20107
180: ok 20108
180: ok 20109
180: ok 20110
180: ok 20111
180: ok 20112
180: ok 20113
180: ok 20114
180: ok 20115
180: ok 20116
180: ok 20117
180: ok 20118
180: ok 20119
180: ok 20120
180: ok 20121
180: ok 20122
180: ok 20123
180: ok 20124
180: ok 20125
180: ok 20126
180: ok 20127
180: ok 20128
180: ok 20129
180: ok 20130
180: ok 20131
180: ok 20132
180: ok 20133
180: ok 20134
180: ok 20135
180: ok 20136
180: ok 20137
180: ok 20138
180: ok 20139
180: ok 20140
180: ok 20141
180: ok 20142
180: ok 20143
180: ok 20144
180: ok 20145
180: ok 20146
180: ok 20147
180: ok 20148
180: ok 20149
180: ok 20150
180: ok 20151
180: ok 20152
180: ok 20153
180: ok 20154
180: ok 20155
180: ok 20156
180: ok 20157
180: ok 20158
180: ok 20159
180: ok 20160
180: ok 20161
180: ok 20162
180: ok 20163
180: ok 20164
180: ok 20165
180: ok 20166
180: ok 20167
180: ok 20168
180: ok 20169
180: ok 20170
180: ok 20171
180: ok 20172
180: ok 20173
180: ok 20174
180: ok 20175
180: ok 20176
180: ok 20177
180: ok 20178
180: ok 20179
180: ok 20180
180: ok 20181
180: ok 20182
180: ok 20183
180: ok 20184
180: ok 20185
180: ok 20186
180: ok 20187
180: ok 20188
180: ok 20189
180: ok 20190
180: ok 20191
180: ok 20192
180: ok 20193
180: ok 20194
180: ok 20195
180: ok 20196
180: ok 20197
180: ok 20198
180: ok 20199
180: ok 20200
180: ok 20201
180: ok 20202
180: ok 20203
180: ok 20204
180: ok 20205
180: ok 20206
180: ok 20207
180: ok 20208
180: ok 20209
180: ok 20210
180: ok 20211
180: ok 20212
180: ok 20213
180: ok 20214
180: ok 20215
180: ok 20216
180: ok 20217
180: ok 20218
180: ok 20219
180: ok 20220
180: ok 20221
180: ok 20222
180: ok 20223
180: ok 20224
180: ok 20225
180: ok 20226
180: ok 20227
180: ok 20228
180: ok 20229
180: ok 20230
180: ok 20231
180: ok 20232
180: ok 20233
180: ok 20234
180: ok 20235
180: ok 20236
180: ok 20237
180: ok 20238
180: ok 20239
180: ok 20240
180: ok 20241
180: ok 20242
180: ok 20243
180: ok 20244
180: ok 20245
180: ok 20246
180: ok 20247
180: ok 20248
180: ok 20249
180: ok 20250
180: ok 20251
180: ok 20252
180: ok 20253
180: ok 20254
180: ok 20255
180: ok 20256
180: ok 20257
180: ok 20258
180: ok 20259
180: ok 20260
180: ok 20261
180: ok 20262
180: ok 20263
180: ok 20264
180: ok 20265
180: ok 20266
180: ok 20267
180: ok 20268
180: ok 20269
180: ok 20270
180: ok 20271
180: ok 20272
180: ok 20273
180: ok 20274
180: ok 20275
180: ok 20276
180: ok 20277
180: ok 20278
180: ok 20279
180: ok 20280
180: ok 20281
180: ok 20282
180: ok 20283
180: ok 20284
180: ok 20285
180: ok 20286
180: ok 20287
180: ok 20288
180: ok 20289
180: ok 20290
180: ok 20291
180: ok 20292
180: ok 20293
180: ok 20294
180: ok 20295
180: ok 20296
180: ok 20297
180: ok 20298
180: ok 20299
180: ok 20300
180: ok 20301
180: ok 20302
180: ok 20303
180: ok 20304
180: ok 20305
180: ok 20306
180: ok 20307
180: ok 20308
180: ok 20309
180: ok 20310
180: ok 20311
180: ok 20312
180: ok 20313
180: ok 20314
180: ok 20315
180: ok 20316
180: ok 20317
180: ok 20318
180: ok 20319
180: ok 20320
180: ok 20321
180: ok 20322
180: ok 20323
180: ok 20324
180: ok 20325
180: ok 20326
180: ok 20327
180: ok 20328
180: ok 20329
180: ok 20330
180: ok 20331
180: ok 20332
180: ok 20333
180: ok 20334
180: ok 20335
180: ok 20336
180: ok 20337
180: ok 20338
180: ok 20339
180: ok 20340
180: ok 20341
180: ok 20342
180: ok 20343
180: ok 20344
180: ok 20345
180: ok 20346
180: ok 20347
180: ok 20348
180: ok 20349
180: ok 20350
180: ok 20351
180: ok 20352
180: ok 20353
180: ok 20354
180: ok 20355
180: ok 20356
180: ok 20357
180: ok 20358
180: ok 20359
180: ok 20360
180: ok 20361
180: ok 20362
180: ok 20363
180: ok 20364
180: ok 20365
180: ok 20366
180: ok 20367
180: ok 20368
180: ok 20369
180: ok 20370
180: ok 20371
180: ok 20372
180: ok 20373
180: ok 20374
180: ok 20375
180: ok 20376
180: ok 20377
180: ok 20378
180: ok 20379
180: ok 20380
180: ok 20381
180: ok 20382
180: ok 20383
180: ok 20384
180: ok 20385
180: ok 20386
180: ok 20387
180: ok 20388
180: ok 20389
180: ok 20390
180: ok 20391
180: ok 20392
180: ok 20393
180: ok 20394
180: ok 20395
180: ok 20396
180: ok 20397
180: ok 20398
180: ok 20399
180: ok 20400
180: ok 20401
180: ok 20402
180: ok 20403
180: ok 20404
180: ok 20405
180: ok 20406
180: ok 20407
180: ok 20408
180: ok 20409
180: ok 20410
180: ok 20411
180: ok 20412
180: ok 20413
180: ok 20414
180: ok 20415
180: ok 20416
180: ok 20417
180: ok 20418
180: ok 20419
180: ok 20420
180: ok 20421
180: ok 20422
180: ok 20423
180: ok 20424
180: ok 20425
180: ok 20426
180: ok 20427
180: ok 20428
180: ok 20429
180: ok 20430
180: ok 20431
180: ok 20432
180: ok 20433
180: ok 20434
180: ok 20435
180: ok 20436
180: ok 20437
180: ok 20438
180: ok 20439
180: ok 20440
180: ok 20441
180: ok 20442
180: ok 20443
180: ok 20444
180: ok 20445
180: ok 20446
180: ok 20447
180: ok 20448
180: ok 20449
180: ok 20450
180: ok 20451
180: ok 20452
180: ok 20453
180: ok 20454
180: ok 20455
180: ok 20456
180: ok 20457
180: ok 20458
180: ok 20459
180: ok 20460
180: ok 20461
180: ok 20462
180: ok 20463
180: ok 20464
180: ok 20465
180: ok 20466
180: ok 20467
180: ok 20468
180: ok 20469
180: ok 20470
180: ok 20471
180: ok 20472
180: ok 20473
180: ok 20474
180: ok 20475
180: ok 20476
180: ok 20477
180: ok 20478
180: ok 20479
180: ok 20480
180: ok 20481
180: ok 20482
180: ok 20483
180: ok 20484
180: ok 20485
180: ok 20486
180: ok 20487
180: ok 20488
180: ok 20489
180: ok 20490
180: ok 20491
180: ok 20492
180: ok 20493
180: ok 20494
180: ok 20495
180: ok 20496
180: ok 20497
180: ok 20498
180: ok 20499
180: ok 20500
180: ok 20501
180: ok 20502
180: ok 20503
180: ok 20504
180: ok 20505
180: ok 20506
180: ok 20507
180: ok 20508
180: ok 20509
180: ok 20510
180: ok 20511
180: ok 20512
180: ok 20513
180: ok 20514
180: ok 20515
180: ok 20516
180: ok 20517
180: ok 20518
180: ok 20519
180: ok 20520
180: ok 20521
180: ok 20522
180: ok 20523
180: ok 20524
180: ok 20525
180: ok 20526
180: ok 20527
180: ok 20528
180: ok 20529
180: ok 20530
180: ok 20531
180: ok 20532
180: ok 20533
180: ok 20534
180: ok 20535
180: ok 20536
180: ok 20537
180: ok 20538
180: ok 20539
180: ok 20540
180: ok 20541
180: ok 20542
180: ok 20543
180: ok 20544
180: ok 20545
180: ok 20546
180: ok 20547
180: ok 20548
180: ok 20549
180: ok 20550
180: ok 20551
180: ok 20552
180: ok 20553
180: ok 20554
180: ok 20555
180: ok 20556
180: ok 20557
180: ok 20558
180: ok 20559
180: ok 20560
180: ok 20561
180: ok 20562
180: ok 20563
180: ok 20564
180: ok 20565
180: ok 20566
180: ok 20567
180: ok 20568
180: ok 20569
180: ok 20570
180: ok 20571
180: ok 20572
180: ok 20573
180: ok 20574
180: ok 20575
180: ok 20576
180: ok 20577
180: ok 20578
180: ok 20579
180: ok 20580
180: ok 20581
180: ok 20582
180: ok 20583
180: ok 20584
180: ok 20585
180: ok 20586
180: ok 20587
180: ok 20588
180: ok 20589
180: ok 20590
180: ok 20591
180: ok 20592
180: ok 20593
180: ok 20594
180: ok 20595
180: ok 20596
180: ok 20597
180: ok 20598
180: ok 20599
180: ok 20600
180: ok 20601
180: ok 20602
180: ok 20603
180: ok 20604
180: ok 20605
180: ok 20606
180: ok 20607
180: ok 20608
180: ok 20609
180: ok 20610
180: ok 20611
180: ok 20612
180: ok 20613
180: ok 20614
180: ok 20615
180: ok 20616
180: ok 20617
180: ok 20618
180: ok 20619
180: ok 20620
180: ok 20621
180: ok 20622
180: ok 20623
180: ok 20624
180: ok 20625
180: ok 20626
180: ok 20627
180: ok 20628
180: ok 20629
180: ok 20630
180: ok 20631
180: ok 20632
180: ok 20633
180: ok 20634
180: ok 20635
180: ok 20636
180: ok 20637
180: ok 20638
180: ok 20639
180: ok 20640
180: ok 20641
180: ok 20642
180: ok 20643
180: ok 20644
180: ok 20645
180: ok 20646
180: ok 20647
180: ok 20648
180: ok 20649
180: ok 20650
180: ok 20651
180: ok 20652
180: ok 20653
180: ok 20654
180: ok 20655
180: ok 20656
180: ok 20657
180: ok 20658
180: ok 20659
180: ok 20660
180: ok 20661
180: ok 20662
180: ok 20663
180: ok 20664
180: ok 20665
180: ok 20666
180: ok 20667
180: ok 20668
180: ok 20669
180: ok 20670
180: ok 20671
180: ok 20672
180: ok 20673
180: ok 20674
180: ok 20675
180: ok 20676
180: ok 20677
180: ok 20678
180: ok 20679
180: ok 20680
180: ok 20681
180: ok 20682
180: ok 20683
180: ok 20684
180: ok 20685
180: ok 20686
180: ok 20687
180: ok 20688
180: ok 20689
180: ok 20690
180: ok 20691
180: ok 20692
180: ok 20693
180: ok 20694
180: ok 20695
180: ok 20696
180: ok 20697
180: ok 20698
180: ok 20699
180: ok 20700
180: ok 20701
180: ok 20702
180: ok 20703
180: ok 20704
180: ok 20705
180: ok 20706
180: ok 20707
180: ok 20708
180: ok 20709
180: ok 20710
180: ok 20711
180: ok 20712
180: ok 20713
180: ok 20714
180: ok 20715
180: ok 20716
180: ok 20717
180: ok 20718
180: ok 20719
180: ok 20720
180: ok 20721
180: ok 20722
180: ok 20723
180: ok 20724
180: ok 20725
180: ok 20726
180: ok 20727
180: ok 20728
180: ok 20729
180: ok 20730
180: ok 20731
180: ok 20732
180: ok 20733
180: ok 20734
180: ok 20735
180: ok 20736
180: ok 20737
180: ok 20738
180: ok 20739
180: ok 20740
180: ok 20741
180: ok 20742
180: ok 20743
180: ok 20744
180: ok 20745
180: ok 20746
180: ok 20747
180: ok 20748
180: ok 20749
180: ok 20750
180: ok 20751
180: ok 20752
180: ok 20753
180: ok 20754
180: ok 20755
180: ok 20756
180: ok 20757
180: ok 20758
180: ok 20759
180: ok 20760
180: ok 20761
180: ok 20762
180: ok 20763
180: ok 20764
180: ok 20765
180: ok 20766
180: ok 20767
180: ok 20768
180: ok 20769
180: ok 20770
180: ok 20771
180: ok 20772
180: ok 20773
180: ok 20774
180: ok 20775
180: ok 20776
180: ok 20777
180: ok 20778
180: ok 20779
180: ok 20780
180: ok 20781
180: ok 20782
180: ok 20783
180: ok 20784
180: ok 20785
180: ok 20786
180: ok 20787
180: ok 20788
180: ok 20789
180: ok 20790
180: ok 20791
180: ok 20792
180: ok 20793
180: ok 20794
180: ok 20795
180: ok 20796
180: ok 20797
180: ok 20798
180: ok 20799
180: ok 20800
180: ok 20801
180: ok 20802
180: ok 20803
180: ok 20804
180: ok 20805
180: ok 20806
180: ok 20807
180: ok 20808
180: ok 20809
180: ok 20810
180: ok 20811
180: ok 20812
180: ok 20813
180: ok 20814
180: ok 20815
180: ok 20816
180: ok 20817
180: ok 20818
180: ok 20819
180: ok 20820
180: ok 20821
180: ok 20822
180: ok 20823
180: ok 20824
180: ok 20825
180: ok 20826
180: ok 20827
180: ok 20828
180: ok 20829
180: ok 20830
180: ok 20831
180: ok 20832
180: ok 20833
180: ok 20834
180: ok 20835
180: ok 20836
180: ok 20837
180: ok 20838
180: ok 20839
180: ok 20840
180: ok 20841
180: ok 20842
180: ok 20843
180: ok 20844
180: ok 20845
180: ok 20846
180: ok 20847
180: ok 20848
180: ok 20849
180: ok 20850
180: ok 20851
180: ok 20852
180: ok 20853
180: ok 20854
180: ok 20855
180: ok 20856
180: ok 20857
180: ok 20858
180: ok 20859
180: ok 20860
180: ok 20861
180: ok 20862
180: ok 20863
180: ok 20864
180: ok 20865
180: ok 20866
180: ok 20867
180: ok 20868
180: ok 20869
180: ok 20870
180: ok 20871
180: ok 20872
180: ok 20873
180: ok 20874
180: ok 20875
180: ok 20876
180: ok 20877
180: ok 20878
180: ok 20879
180: ok 20880
180: ok 20881
180: ok 20882
180: ok 20883
180: ok 20884
180: ok 20885
180: ok 20886
180: ok 20887
180: ok 20888
180: ok 20889
180: ok 20890
180: ok 20891
180: ok 20892
180: ok 20893
180: ok 20894
180: ok 20895
180: ok 20896
180: ok 20897
180: ok 20898
180: ok 20899
180: ok 20900
180: ok 20901
180: ok 20902
180: ok 20903
180: ok 20904
180: ok 20905
180: ok 20906
180: ok 20907
180: ok 20908
180: ok 20909
180: ok 20910
180: ok 20911
180: ok 20912
180: ok 20913
180: ok 20914
180: ok 20915
180: ok 20916
180: ok 20917
180: ok 20918
180: ok 20919
180: ok 20920
180: ok 20921
180: ok 20922
180: ok 20923
180: ok 20924
180: ok 20925
180: ok 20926
180: ok 20927
180: ok 20928
180: ok 20929
180: ok 20930
180: ok 20931
180: ok 20932
180: ok 20933
180: ok 20934
180: ok 20935
180: ok 20936
180: ok 20937
180: ok 20938
180: ok 20939
180: ok 20940
180: ok 20941
180: ok 20942
180: ok 20943
180: ok 20944
180: ok 20945
180: ok 20946
180: ok 20947
180: ok 20948
180: ok 20949
180: ok 20950
180: ok 20951
180: ok 20952
180: ok 20953
180: ok 20954
180: ok 20955
180: ok 20956
180: ok 20957
180: ok 20958
180: ok 20959
180: ok 20960
180: ok 20961
180: ok 20962
180: ok 20963
180: ok 20964
180: ok 20965
180: ok 20966
180: ok 20967
180: ok 20968
180: ok 20969
180: ok 20970
180: ok 20971
180: ok 20972
180: ok 20973
180: ok 20974
180: ok 20975
180: ok 20976
180: ok 20977
180: ok 20978
180: ok 20979
180: ok 20980
180: ok 20981
180: ok 20982
180: ok 20983
180: ok 20984
180: ok 20985
180: ok 20986
180: ok 20987
180: ok 20988
180: ok 20989
180: ok 20990
180: ok 20991
180: ok 20992
180: ok 20993
180: ok 20994
180: ok 20995
180: ok 20996
180: ok 20997
180: ok 20998
180: ok 20999
180: ok 21000
180: ok 21001
180: ok 21002
180: ok 21003
180: ok 21004
180: ok 21005
180: ok 21006
180: ok 21007
180: ok 21008
180: ok 21009
180: ok 21010
180: ok 21011
180: ok 21012
180: ok 21013
180: ok 21014
180: ok 21015
180: ok 21016
180: ok 21017
180: ok 21018
180: ok 21019
180: ok 21020
180: ok 21021
180: ok 21022
180: ok 21023
180: ok 21024
180: ok 21025
180: ok 21026
180: ok 21027
180: ok 21028
180: ok 21029
180: ok 21030
180: ok 21031
180: ok 21032
180: ok 21033
180: ok 21034
180: ok 21035
180: ok 21036
180: ok 21037
180: ok 21038
180: ok 21039
180: ok 21040
180: ok 21041
180: ok 21042
180: ok 21043
180: ok 21044
180: ok 21045
180: ok 21046
180: ok 21047
180: ok 21048
180: ok 21049
180: ok 21050
180: ok 21051
180: ok 21052
180: ok 21053
180: ok 21054
180: ok 21055
180: ok 21056
180: ok 21057
180: ok 21058
180: ok 21059
180: ok 21060
180: ok 21061
180: ok 21062
180: ok 21063
180: ok 21064
180: ok 21065
180: ok 21066
180: ok 21067
180: ok 21068
180: ok 21069
180: ok 21070
180: ok 21071
180: ok 21072
180: ok 21073
180: ok 21074
180: ok 21075
180: ok 21076
180: ok 21077
180: ok 21078
180: ok 21079
180: ok 21080
180: ok 21081
180: ok 21082
180: ok 21083
180: ok 21084
180: ok 21085
180: ok 21086
180: ok 21087
180: ok 21088
180: ok 21089
180: ok 21090
180: ok 21091
180: ok 21092
180: ok 21093
180: ok 21094
180: ok 21095
180: ok 21096
180: ok 21097
180: ok 21098
180: ok 21099
180: ok 21100
180: ok 21101
180: ok 21102
180: ok 21103
180: ok 21104
180: ok 21105
180: ok 21106
180: ok 21107
180: ok 21108
180: ok 21109
180: ok 21110
180: ok 21111
180: ok 21112
180: ok 21113
180: ok 21114
180: ok 21115
180: ok 21116
180: ok 21117
180: ok 21118
180: ok 21119
180: ok 21120
180: ok 21121
180: ok 21122
180: ok 21123
180: ok 21124
180: ok 21125
180: ok 21126
180: ok 21127
180: ok 21128
180: ok 21129
180: ok 21130
180: ok 21131
180: ok 21132
180: ok 21133
180: ok 21134
180: ok 21135
180: ok 21136
180: ok 21137
180: ok 21138
180: ok 21139
180: ok 21140
180: ok 21141
180: ok 21142
180: ok 21143
180: ok 21144
180: ok 21145
180: ok 21146
180: ok 21147
180: ok 21148
180: ok 21149
180: ok 21150
180: ok 21151
180: ok 21152
180: ok 21153
180: ok 21154
180: ok 21155
180: ok 21156
180: ok 21157
180: ok 21158
180: ok 21159
180: ok 21160
180: ok 21161
180: ok 21162
180: ok 21163
180: ok 21164
180: ok 21165
180: ok 21166
180: ok 21167
180: ok 21168
180: ok 21169
180: ok 21170
180: ok 21171
180: ok 21172
180: ok 21173
180: ok 21174
180: ok 21175
180: ok 21176
180: ok 21177
180: ok 21178
180: ok 21179
180: ok 21180
180: ok 21181
180: ok 21182
180: ok 21183
180: ok 21184
180: ok 21185
180: ok 21186
180: ok 21187
180: ok 21188
180: ok 21189
180: ok 21190
180: ok 21191
180: ok 21192
180: ok 21193
180: ok 21194
180: ok 21195
180: ok 21196
180: ok 21197
180: ok 21198
180: ok 21199
180: ok 21200
180: ok 21201
180: ok 21202
180: ok 21203
180: ok 21204
180: ok 21205
180: ok 21206
180: ok 21207
180: ok 21208
180: ok 21209
180: ok 21210
180: ok 21211
180: ok 21212
180: ok 21213
180: ok 21214
180: ok 21215
180: ok 21216
180: ok 21217
180: ok 21218
180: ok 21219
180: ok 21220
180: ok 21221
180: ok 21222
180: ok 21223
180: ok 21224
180: ok 21225
180: ok 21226
180: ok 21227
180: ok 21228
180: ok 21229
180: ok 21230
180: ok 21231
180: ok 21232
180: ok 21233
180: ok 21234
180: ok 21235
180: ok 21236
180: ok 21237
180: ok 21238
180: ok 21239
180: ok 21240
180: ok 21241
180: ok 21242
180: ok 21243
180: ok 21244
180: ok 21245
180: ok 21246
180: ok 21247
180: ok 21248
180: ok 21249
180: ok 21250
180: ok 21251
180: ok 21252
180: ok 21253
180: ok 21254
180: ok 21255
180: ok 21256
180: ok 21257
180: ok 21258
180: ok 21259
180: ok 21260
180: ok 21261
180: ok 21262
180: ok 21263
180: ok 21264
180: ok 21265
180: ok 21266
180: ok 21267
180: ok 21268
180: ok 21269
180: ok 21270
180: ok 21271
180: ok 21272
180: ok 21273
180: ok 21274
180: ok 21275
180: ok 21276
180: ok 21277
180: ok 21278
180: ok 21279
180: ok 21280
180: ok 21281
180: ok 21282
180: ok 21283
180: ok 21284
180: ok 21285
180: ok 21286
180: ok 21287
180: ok 21288
180: ok 21289
180: ok 21290
180: ok 21291
180: ok 21292
180: ok 21293
180: ok 21294
180: ok 21295
180: ok 21296
180: ok 21297
180: ok 21298
180: ok 21299
180: ok 21300
180: ok 21301
180: ok 21302
180: ok 21303
180: ok 21304
180: ok 21305
180: ok 21306
180: ok 21307
180: ok 21308
180: ok 21309
180: ok 21310
180: ok 21311
180: ok 21312
180: ok 21313
180: ok 21314
180: ok 21315
180: ok 21316
180: ok 21317
180: ok 21318
180: ok 21319
180: ok 21320
180: ok 21321
180: ok 21322
180: ok 21323
180: ok 21324
180: ok 21325
180: ok 21326
180: ok 21327
180: ok 21328
180: ok 21329
180: ok 21330
180: ok 21331
180: ok 21332
180: ok 21333
180: ok 21334
180: ok 21335
180: ok 21336
180: ok 21337
180: ok 21338
180: ok 21339
180: ok 21340
180: ok 21341
180: ok 21342
180: ok 21343
180: ok 21344
180: ok 21345
180: ok 21346
180: ok 21347
180: ok 21348
180: ok 21349
180: ok 21350
180: ok 21351
180: ok 21352
180: ok 21353
180: ok 21354
180: ok 21355
180: ok 21356
180: ok 21357
180: ok 21358
180: ok 21359
180: ok 21360
180: ok 21361
180: ok 21362
180: ok 21363
180: ok 21364
180: ok 21365
180: ok 21366
180: ok 21367
180: ok 21368
180: ok 21369
180: ok 21370
180: ok 21371
180: ok 21372
180: ok 21373
180: ok 21374
180: ok 21375
180: ok 21376
180: ok 21377
180: ok 21378
180: ok 21379
180: ok 21380
180: ok 21381
180: ok 21382
180: ok 21383
180: ok 21384
180: ok 21385
180: ok 21386
180: ok 21387
180: ok 21388
180: ok 21389
180: ok 21390
180: ok 21391
180: ok 21392
180: ok 21393
180: ok 21394
180: ok 21395
180: ok 21396
180: ok 21397
180: ok 21398
180: ok 21399
180: ok 21400
180: ok 21401
180: ok 21402
180: ok 21403
180: ok 21404
180: ok 21405
180: ok 21406
180: ok 21407
180: ok 21408
180: ok 21409
180: ok 21410
180: ok 21411
180: ok 21412
180: ok 21413
180: ok 21414
180: ok 21415
180: ok 21416
180: ok 21417
180: ok 21418
180: ok 21419
180: ok 21420
180: ok 21421
180: ok 21422
180: ok 21423
180: ok 21424
180: ok 21425
180: ok 21426
180: ok 21427
180: ok 21428
180: ok 21429
180: ok 21430
180: ok 21431
180: ok 21432
180: ok 21433
180: ok 21434
180: ok 21435
180: ok 21436
180: ok 21437
180: ok 21438
180: ok 21439
180: ok 21440
180: ok 21441
180: ok 21442
180: ok 21443
180: ok 21444
180: ok 21445
180: ok 21446
180: ok 21447
180: ok 21448
180: ok 21449
180: ok 21450
180: ok 21451
180: ok 21452
180: ok 21453
180: ok 21454
180: ok 21455
180: ok 21456
180: ok 21457
180: ok 21458
180: ok 21459
180: ok 21460
180: ok 21461
180: ok 21462
180: ok 21463
180: ok 21464
180: ok 21465
180: ok 21466
180: ok 21467
180: ok 21468
180: ok 21469
180: ok 21470
180: ok 21471
180: ok 21472
180: ok 21473
180: ok 21474
180: ok 21475
180: ok 21476
180: ok 21477
180: ok 21478
180: ok 21479
180: ok 21480
180: ok 21481
180: ok 21482
180: ok 21483
180: ok 21484
180: ok 21485
180: ok 21486
180: ok 21487
180: ok 21488
180: ok 21489
180: ok 21490
180: ok 21491
180: ok 21492
180: ok 21493
180: ok 21494
180: ok 21495
180: ok 21496
180: ok 21497
180: ok 21498
180: ok 21499
180: ok 21500
180: ok 21501
180: ok 21502
180: ok 21503
180: ok 21504
180: ok 21505
180: ok 21506
180: ok 21507
180: ok 21508
180: ok 21509
180: ok 21510
180: ok 21511
180: ok 21512
180: ok 21513
180: ok 21514
180: ok 21515
180: ok 21516
180: ok 21517
180: ok 21518
180: ok 21519
180: ok 21520
180: ok 21521
180: ok 21522
180: ok 21523
180: ok 21524
180: ok 21525
180: ok 21526
180: ok 21527
180: ok 21528
180: ok 21529
180: ok 21530
180: ok 21531
180: ok 21532
180: ok 21533
180: ok 21534
180: ok 21535
180: ok 21536
180: ok 21537
180: ok 21538
180: ok 21539
180: ok 21540
180: ok 21541
180: ok 21542
180: ok 21543
180: ok 21544
180: ok 21545
180: ok 21546
180: ok 21547
180: ok 21548
180: ok 21549
180: ok 21550
180: ok 21551
180: ok 21552
180: ok 21553
180: ok 21554
180: ok 21555
180: ok 21556
180: ok 21557
180: ok 21558
180: ok 21559
180: ok 21560
180: ok 21561
180: ok 21562
180: ok 21563
180: ok 21564
180: ok 21565
180: ok 21566
180: ok 21567
180: ok 21568
180: ok 21569
180: ok 21570
180: ok 21571
180: ok 21572
180: ok 21573
180: ok 21574
180: ok 21575
180: ok 21576
180: ok 21577
180: ok 21578
180: ok 21579
180: ok 21580
180: ok 21581
180: ok 21582
180: ok 21583
180: ok 21584
180: ok 21585
180: ok 21586
180: ok 21587
180: ok 21588
180: ok 21589
180: ok 21590
180: ok 21591
180: ok 21592
180: ok 21593
180: ok 21594
180: ok 21595
180: ok 21596
180: ok 21597
180: ok 21598
180: ok 21599
180: ok 21600
180: ok 21601
180: ok 21602
180: ok 21603
180: ok 21604
180: ok 21605
180: ok 21606
180: ok 21607
180: ok 21608
180: ok 21609
180: ok 21610
180: ok 21611
180: ok 21612
180: ok 21613
180: ok 21614
180: ok 21615
180: ok 21616
180: ok 21617
180: ok 21618
180: ok 21619
180: ok 21620
180: ok 21621
180: ok 21622
180: ok 21623
180: ok 21624
180: ok 21625
180: ok 21626
180: ok 21627
180: ok 21628
180: ok 21629
180: ok 21630
180: ok 21631
180: ok 21632
180: ok 21633
180: ok 21634
180: ok 21635
180: ok 21636
180: ok 21637
180: ok 21638
180: ok 21639
180: ok 21640
180: ok 21641
180: ok 21642
180: ok 21643
180: ok 21644
180: ok 21645
180: ok 21646
180: ok 21647
180: ok 21648
180: ok 21649
180: ok 21650
180: ok 21651
180: ok 21652
180: ok 21653
180: ok 21654
180: ok 21655
180: ok 21656
180: ok 21657
180: ok 21658
180: ok 21659
180: ok 21660
180: ok 21661
180: ok 21662
180: ok 21663
180: ok 21664
180: ok 21665
180: ok 21666
180: ok 21667
180: ok 21668
180: ok 21669
180: ok 21670
180: ok 21671
180: ok 21672
180: ok 21673
180: ok 21674
180: ok 21675
180: ok 21676
180: ok 21677
180: ok 21678
180: ok 21679
180: ok 21680
180: ok 21681
180: ok 21682
180: ok 21683
180: ok 21684
180: ok 21685
180: ok 21686
180: ok 21687
180: ok 21688
180: ok 21689
180: ok 21690
180: ok 21691
180: ok 21692
180: ok 21693
180: ok 21694
180: ok 21695
180: ok 21696
180: ok 21697
180: ok 21698
180: ok 21699
180: ok 21700
180: ok 21701
180: ok 21702
180: ok 21703
180: ok 21704
180: ok 21705
180: ok 21706
180: ok 21707
180: ok 21708
180: ok 21709
180: ok 21710
180: ok 21711
180: ok 21712
180: ok 21713
180: ok 21714
180: ok 21715
180: ok 21716
180: ok 21717
180: ok 21718
180: ok 21719
180: ok 21720
180: ok 21721
180: ok 21722
180: ok 21723
180: ok 21724
180: ok 21725
180: ok 21726
180: ok 21727
180: ok 21728
180: ok 21729
180: ok 21730
180: ok 21731
180: ok 21732
180: ok 21733
180: ok 21734
180: ok 21735
180: ok 21736
180: ok 21737
180: ok 21738
180: ok 21739
180: ok 21740
180: ok 21741
180: ok 21742
180: ok 21743
180: ok 21744
180: ok 21745
180: ok 21746
180: ok 21747
180: ok 21748
180: ok 21749
180: ok 21750
180: ok 21751
180: ok 21752
180: ok 21753
180: ok 21754
180: ok 21755
180: ok 21756
180: ok 21757
180: ok 21758
180: ok 21759
180: ok 21760
180: ok 21761
180: ok 21762
180: ok 21763
180: ok 21764
180: ok 21765
180: ok 21766
180: ok 21767
180: ok 21768
180: ok 21769
180: ok 21770
180: ok 21771
180: ok 21772
180: ok 21773
180: ok 21774
180: ok 21775
180: ok 21776
180: ok 21777
180: ok 21778
180: ok 21779
180: ok 21780
180: ok 21781
180: ok 21782
180: ok 21783
180: ok 21784
180: ok 21785
180: ok 21786
180: ok 21787
180: ok 21788
180: ok 21789
180: ok 21790
180: ok 21791
180: ok 21792
180: ok 21793
180: ok 21794
180: ok 21795
180: ok 21796
180: ok 21797
180: ok 21798
180: ok 21799
180: ok 21800
180: ok 21801
180: ok 21802
180: ok 21803
180: ok 21804
180: ok 21805
180: ok 21806
180: ok 21807
180: ok 21808
180: ok 21809
180: ok 21810
180: ok 21811
180: ok 21812
180: ok 21813
180: ok 21814
180: ok 21815
180: ok 21816
180: ok 21817
180: ok 21818
180: ok 21819
180: ok 21820
180: ok 21821
180: ok 21822
180: ok 21823
180: ok 21824
180: ok 21825
180: ok 21826
180: ok 21827
180: ok 21828
180: ok 21829
180: ok 21830
180: ok 21831
180: ok 21832
180: ok 21833
180: ok 21834
180: ok 21835
180: ok 21836
180: ok 21837
180: ok 21838
180: ok 21839
180: ok 21840
180: ok 21841
180: ok 21842
180: ok 21843
180: ok 21844
180: ok 21845
180: ok 21846
180: ok 21847
180: ok 21848
180: ok 21849
180: ok 21850
180: ok 21851
180: ok 21852
180: ok 21853
180: ok 21854
180: ok 21855
180: ok 21856
180: ok 21857
180: ok 21858
180: ok 21859
180: ok 21860
180: ok 21861
180: ok 21862
180: ok 21863
180: ok 21864
180: ok 21865
180: ok 21866
180: ok 21867
180: ok 21868
180: ok 21869
180: ok 21870
180: ok 21871
180: ok 21872
180: ok 21873
180: ok 21874
180: ok 21875
180: ok 21876
180: ok 21877
180: ok 21878
180: ok 21879
180: ok 21880
180: ok 21881
180: ok 21882
180: ok 21883
180: ok 21884
180: ok 21885
180: ok 21886
180: ok 21887
180: ok 21888
180: ok 21889
180: ok 21890
180: ok 21891
180: ok 21892
180: ok 21893
180: ok 21894
180: ok 21895
180: ok 21896
180: ok 21897
180: ok 21898
180: ok 21899
180: ok 21900
180: ok 21901
180: ok 21902
180: ok 21903
180: ok 21904
180: ok 21905
180: ok 21906
180: ok 21907
180: ok 21908
180: ok 21909
180: ok 21910
180: ok 21911
180: ok 21912
180: ok 21913
180: ok 21914
180: ok 21915
180: ok 21916
180: ok 21917
180: ok 21918
180: ok 21919
180: ok 21920
180: ok 21921
180: ok 21922
180: ok 21923
180: ok 21924
180: ok 21925
180: ok 21926
180: ok 21927
180: ok 21928
180: ok 21929
180: ok 21930
180: ok 21931
180: ok 21932
180: ok 21933
180: ok 21934
180: ok 21935
180: ok 21936
180: ok 21937
180: ok 21938
180: ok 21939
180: ok 21940
180: ok 21941
180: ok 21942
180: ok 21943
180: ok 21944
180: ok 21945
180: ok 21946
180: ok 21947
180: ok 21948
180: ok 21949
180: ok 21950
180: ok 21951
180: ok 21952
180: ok 21953
180: ok 21954
180: ok 21955
180: ok 21956
180: ok 21957
180: ok 21958
180: ok 21959
180: ok 21960
180: ok 21961
180: ok 21962
180: ok 21963
180: ok 21964
180: ok 21965
180: ok 21966
180: ok 21967
180: ok 21968
180: ok 21969
180: ok 21970
180: ok 21971
180: ok 21972
180: ok 21973
180: ok 21974
180: ok 21975
180: ok 21976
180: ok 21977
180: ok 21978
180: ok 21979
180: ok 21980
180: ok 21981
180: ok 21982
180: ok 21983
180: ok 21984
180: ok 21985
180: ok 21986
180: ok 21987
180: ok 21988
180: ok 21989
180: ok 21990
180: ok 21991
180: ok 21992
180: ok 21993
180: ok 21994
180: ok 21995
180: ok 21996
180: ok 21997
180: ok 21998
180: ok 21999
180: ok 22000
180: ok 22001
180: ok 22002
180: ok 22003
180: ok 22004
180: ok 22005
180: ok 22006
180: ok 22007
180: ok 22008
180: ok 22009
180: ok 22010
180: ok 22011
180: ok 22012
180: ok 22013
180: ok 22014
180: ok 22015
180: ok 22016
180: ok 22017
180: ok 22018
180: ok 22019
180: ok 22020
180: ok 22021
180: ok 22022
180: ok 22023
180: ok 22024
180: ok 22025
180: ok 22026
180: ok 22027
180: ok 22028
180: ok 22029
180: ok 22030
180: ok 22031
180: ok 22032
180: ok 22033
180: ok 22034
180: ok 22035
180: ok 22036
180: ok 22037
180: ok 22038
180: ok 22039
180: ok 22040
180: ok 22041
180: ok 22042
180: ok 22043
180: ok 22044
180: ok 22045
180: ok 22046
180: ok 22047
180: ok 22048
180: ok 22049
180: ok 22050
180: ok 22051
180: ok 22052
180: ok 22053
180: ok 22054
180: ok 22055
180: ok 22056
180: ok 22057
180: ok 22058
180: ok 22059
180: ok 22060
180: ok 22061
180: ok 22062
180: ok 22063
180: ok 22064
180: ok 22065
180: ok 22066
180: ok 22067
180: ok 22068
180: ok 22069
180: ok 22070
180: ok 22071
180: ok 22072
180: ok 22073
180: ok 22074
180: ok 22075
180: ok 22076
180: ok 22077
180: ok 22078
180: ok 22079
180: ok 22080
180: ok 22081
180: ok 22082
180: ok 22083
180: ok 22084
180: ok 22085
180: ok 22086
180: ok 22087
180: ok 22088
180: ok 22089
180: ok 22090
180: ok 22091
180: ok 22092
180: ok 22093
180: ok 22094
180: ok 22095
180: ok 22096
180: ok 22097
180: ok 22098
180: ok 22099
180: ok 22100
180: ok 22101
180: ok 22102
180: ok 22103
180: ok 22104
180: ok 22105
180: ok 22106
180: ok 22107
180: ok 22108
180: ok 22109
180: ok 22110
180: ok 22111
180: ok 22112
180: ok 22113
180: ok 22114
180: ok 22115
180: ok 22116
180: ok 22117
180: ok 22118
180: ok 22119
180: ok 22120
180: ok 22121
180: ok 22122
180: ok 22123
180: ok 22124
180: ok 22125
180: ok 22126
180: ok 22127
180: ok 22128
180: ok 22129
180: ok 22130
180: ok 22131
180: ok 22132
180: ok 22133
180: ok 22134
180: ok 22135
180: ok 22136
180: ok 22137
180: ok 22138
180: ok 22139
180: ok 22140
180: ok 22141
180: ok 22142
180: ok 22143
180: ok 22144
180: ok 22145
180: ok 22146
180: ok 22147
180: ok 22148
180: ok 22149
180: ok 22150
180: ok 22151
180: ok 22152
180: ok 22153
180: ok 22154
180: ok 22155
180: ok 22156
180: ok 22157
180: ok 22158
180: ok 22159
180: ok 22160
180: ok 22161
180: ok 22162
180: ok 22163
180: ok 22164
180: ok 22165
180: ok 22166
180: ok 22167
180: ok 22168
180: ok 22169
180: ok 22170
180: ok 22171
180: ok 22172
180: ok 22173
180: ok 22174
180: ok 22175
180: ok 22176
180: ok 22177
180: ok 22178
180: ok 22179
180: ok 22180
180: ok 22181
180: ok 22182
180: ok 22183
180: ok 22184
180: ok 22185
180: ok 22186
180: ok 22187
180: ok 22188
180: ok 22189
180: ok 22190
180: ok 22191
180: ok 22192
180: ok 22193
180: ok 22194
180: ok 22195
180: ok 22196
180: ok 22197
180: ok 22198
180: ok 22199
180: ok 22200
180: ok 22201
180: ok 22202
180: ok 22203
180: ok 22204
180: ok 22205
180: ok 22206
180: ok 22207
180: ok 22208
180: ok 22209
180: ok 22210
180: ok 22211
180: ok 22212
180: ok 22213
180: ok 22214
180: ok 22215
180: ok 22216
180: ok 22217
180: ok 22218
180: ok 22219
180: ok 22220
180: ok 22221
180: ok 22222
180: ok 22223
180: ok 22224
180: ok 22225
180: ok 22226
180: ok 22227
180: ok 22228
180: ok 22229
180: ok 22230
180: ok 22231
180: ok 22232
180: ok 22233
180: ok 22234
180: ok 22235
180: ok 22236
180: ok 22237
180: ok 22238
180: ok 22239
180: ok 22240
180: ok 22241
180: ok 22242
180: ok 22243
180: ok 22244
180: ok 22245
180: ok 22246
180: ok 22247
180: ok 22248
180: ok 22249
180: ok 22250
180: ok 22251
180: ok 22252
180: ok 22253
180: ok 22254
180: ok 22255
180: ok 22256
180: ok 22257
180: ok 22258
180: ok 22259
180: ok 22260
180: ok 22261
180: ok 22262
180: ok 22263
180: ok 22264
180: ok 22265
180: ok 22266
180: ok 22267
180: ok 22268
180: ok 22269
180: ok 22270
180: ok 22271
180: ok 22272
180: ok 22273
180: ok 22274
180: ok 22275
180: ok 22276
180: ok 22277
180: ok 22278
180: ok 22279
180: ok 22280
180: ok 22281
180: ok 22282
180: ok 22283
180: ok 22284
180: ok 22285
180: ok 22286
180: ok 22287
180: ok 22288
180: ok 22289
180: ok 22290
180: ok 22291
180: ok 22292
180: ok 22293
180: ok 22294
180: ok 22295
180: ok 22296
180: ok 22297
180: ok 22298
180: ok 22299
180: ok 22300
180: ok 22301
180: ok 22302
180: ok 22303
180: ok 22304
180: ok 22305
180: ok 22306
180: ok 22307
180: ok 22308
180: ok 22309
180: ok 22310
180: ok 22311
180: ok 22312
180: ok 22313
180: ok 22314
180: ok 22315
180: ok 22316
180: ok 22317
180: ok 22318
180: ok 22319
180: ok 22320
180: ok 22321
180: ok 22322
180: ok 22323
180: ok 22324
180: ok 22325
180: ok 22326
180: ok 22327
180: ok 22328
180: ok 22329
180: ok 22330
180: ok 22331
180: ok 22332
180: ok 22333
180: ok 22334
180: ok 22335
180: ok 22336
180: ok 22337
180: ok 22338
180: ok 22339
180: ok 22340
180: ok 22341
180: ok 22342
180: ok 22343
180: ok 22344
180: ok 22345
180: ok 22346
180: ok 22347
180: ok 22348
180: ok 22349
180: ok 22350
180: ok 22351
180: ok 22352
180: ok 22353
180: ok 22354
180: ok 22355
180: ok 22356
180: ok 22357
180: ok 22358
180: ok 22359
180: ok 22360
180: ok 22361
180: ok 22362
180: ok 22363
180: ok 22364
180: ok 22365
180: ok 22366
180: ok 22367
180: ok 22368
180: ok 22369
180: ok 22370
180: ok 22371
180: ok 22372
180: ok 22373
180: ok 22374
180: ok 22375
180: ok 22376
180: ok 22377
180: ok 22378
180: ok 22379
180: ok 22380
180: ok 22381
180: ok 22382
180: ok 22383
180: ok 22384
180: ok 22385
180: ok 22386
180: ok 22387
180: ok 22388
180: ok 22389
180: ok 22390
180: ok 22391
180: ok 22392
180: ok 22393
180: ok 22394
180: ok 22395
180: ok 22396
180: ok 22397
180: ok 22398
180: ok 22399
180: ok 22400
180: ok 22401
180: ok 22402
180: ok 22403
180: ok 22404
180: ok 22405
180: ok 22406
180: ok 22407
180: ok 22408
180: ok 22409
180: ok 22410
180: ok 22411
180: ok 22412
180: ok 22413
180: ok 22414
180: ok 22415
180: ok 22416
180: ok 22417
180: ok 22418
180: ok 22419
180: ok 22420
180: ok 22421
180: ok 22422
180: ok 22423
180: ok 22424
180: ok 22425
180: ok 22426
180: ok 22427
180: ok 22428
180: ok 22429
180: ok 22430
180: ok 22431
180: ok 22432
180: ok 22433
180: ok 22434
180: ok 22435
180: ok 22436
180: ok 22437
180: ok 22438
180: ok 22439
180: ok 22440
180: ok 22441
180: ok 22442
180: ok 22443
180: ok 22444
180: ok 22445
180: ok 22446
180: ok 22447
180: ok 22448
180: ok 22449
180: ok 22450
180: ok 22451
180: ok 22452
180: ok 22453
180: ok 22454
180: ok 22455
180: ok 22456
180: ok 22457
180: ok 22458
180: ok 22459
180: ok 22460
180: ok 22461
180: ok 22462
180: ok 22463
180: ok 22464
180: ok 22465
180: ok 22466
180: ok 22467
180: ok 22468
180: ok 22469
180: ok 22470
180: ok 22471
180: ok 22472
180: ok 22473
180: ok 22474
180: ok 22475
180: ok 22476
180: ok 22477
180: ok 22478
180: ok 22479
180: ok 22480
180: ok 22481
180: ok 22482
180: ok 22483
180: ok 22484
180: ok 22485
180: ok 22486
180: ok 22487
180: ok 22488
180: ok 22489
180: ok 22490
180: ok 22491
180: ok 22492
180: ok 22493
180: ok 22494
180: ok 22495
180: ok 22496
180: ok 22497
180: ok 22498
180: ok 22499
180: ok 22500
180: ok 22501
180: ok 22502
180: ok 22503
180: ok 22504
180: ok 22505
180: ok 22506
180: ok 22507
180: ok 22508
180: ok 22509
180: ok 22510
180: ok 22511
180: ok 22512
180: ok 22513
180: ok 22514
180: ok 22515
180: ok 22516
180: ok 22517
180: ok 22518
180: ok 22519
180: ok 22520
180: ok 22521
180: ok 22522
180: ok 22523
180: ok 22524
180: ok 22525
180: ok 22526
180: ok 22527
180: ok 22528
180: ok 22529
180: ok 22530
180: ok 22531
180: ok 22532
180: ok 22533
180: ok 22534
180: ok 22535
180: ok 22536
180: ok 22537
180: ok 22538
180: ok 22539
180: ok 22540
180: ok 22541
180: ok 22542
180: ok 22543
180: ok 22544
180: ok 22545
180: ok 22546
180: ok 22547
180: ok 22548
180: ok 22549
180: ok 22550
180: ok 22551
180: ok 22552
180: ok 22553
180: ok 22554
180: ok 22555
180: ok 22556
180: ok 22557
180: ok 22558
180: ok 22559
180: ok 22560
180: ok 22561
180: ok 22562
180: ok 22563
180: ok 22564
180: ok 22565
180: ok 22566
180: ok 22567
180: ok 22568
180: ok 22569
180: ok 22570
180: ok 22571
180: ok 22572
180: ok 22573
180: ok 22574
180: ok 22575
180: ok 22576
180: ok 22577
180: ok 22578
180: ok 22579
180: ok 22580
180: ok 22581
180: ok 22582
180: ok 22583
180: ok 22584
180: ok 22585
180: ok 22586
180: ok 22587
180: ok 22588
180: ok 22589
180: ok 22590
180: ok 22591
180: ok 22592
180: ok 22593
180: ok 22594
180: ok 22595
180: ok 22596
180: ok 22597
180: ok 22598
180: ok 22599
180: ok 22600
180: ok 22601
180: ok 22602
180: ok 22603
180: ok 22604
180: ok 22605
180: ok 22606
180: ok 22607
180: ok 22608
180: ok 22609
180: ok 22610
180: ok 22611
180: ok 22612
180: ok 22613
180: ok 22614
180: ok 22615
180: ok 22616
180: ok 22617
180: ok 22618
180: ok 22619
180: ok 22620
180: ok 22621
180: ok 22622
180: ok 22623
180: ok 22624
180: ok 22625
180: ok 22626
180: ok 22627
180: ok 22628
180: ok 22629
180: ok 22630
180: ok 22631
180: ok 22632
180: ok 22633
180: ok 22634
180: ok 22635
180: ok 22636
180: ok 22637
180: ok 22638
180: ok 22639
180: ok 22640
180: ok 22641
180: ok 22642
180: ok 22643
180: ok 22644
180: ok 22645
180: ok 22646
180: ok 22647
180: ok 22648
180: ok 22649
180: ok 22650
180: ok 22651
180: ok 22652
180: ok 22653
180: ok 22654
180: ok 22655
180: ok 22656
180: ok 22657
180: ok 22658
180: ok 22659
180: ok 22660
180: ok 22661
180: ok 22662
180: ok 22663
180: ok 22664
180: ok 22665
180: ok 22666
180: ok 22667
180: ok 22668
180: ok 22669
180: ok 22670
180: ok 22671
180: ok 22672
180: ok 22673
180: ok 22674
180: ok 22675
180: ok 22676
180: ok 22677
180: ok 22678
180: ok 22679
180: ok 22680
180: ok 22681
180: ok 22682
180: ok 22683
180: ok 22684
180: ok 22685
180: ok 22686
180: ok 22687
180: ok 22688
180: ok 22689
180: ok 22690
180: ok 22691
180: ok 22692
180: ok 22693
180: ok 22694
180: ok 22695
180: ok 22696
180: ok 22697
180: ok 22698
180: ok 22699
180: ok 22700
180: ok 22701
180: ok 22702
180: ok 22703
180: ok 22704
180: ok 22705
180: ok 22706
180: ok 22707
180: ok 22708
180: ok 22709
180: ok 22710
180: ok 22711
180: ok 22712
180: ok 22713
180: ok 22714
180: ok 22715
180: ok 22716
180: ok 22717
180: ok 22718
180: ok 22719
180: ok 22720
180: ok 22721
180: ok 22722
180: ok 22723
180: ok 22724
180: ok 22725
180: ok 22726
180: ok 22727
180: ok 22728
180: ok 22729
180: ok 22730
180: ok 22731
180: ok 22732
180: ok 22733
180: ok 22734
180: ok 22735
180: ok 22736
180: ok 22737
180: ok 22738
180: ok 22739
180: ok 22740
180: ok 22741
180: ok 22742
180: ok 22743
180: ok 22744
180: ok 22745
180: ok 22746
180: ok 22747
180: ok 22748
180: ok 22749
180: ok 22750
180: ok 22751
180: ok 22752
180: ok 22753
180: ok 22754
180: ok 22755
180: ok 22756
180: ok 22757
180: ok 22758
180: ok 22759
180: ok 22760
180: ok 22761
180: ok 22762
180: ok 22763
180: ok 22764
180: ok 22765
180: ok 22766
180: ok 22767
180: ok 22768
180: ok 22769
180: ok 22770
180: ok 22771
180: ok 22772
180: ok 22773
180: ok 22774
180: ok 22775
180: ok 22776
180: ok 22777
180: ok 22778
180: ok 22779
180: ok 22780
180: ok 22781
180: ok 22782
180: ok 22783
180: ok 22784
180: ok 22785
180: ok 22786
180: ok 22787
180: ok 22788
180: ok 22789
180: ok 22790
180: ok 22791
180: ok 22792
180: ok 22793
180: ok 22794
180: ok 22795
180: ok 22796
180: ok 22797
180: ok 22798
180: ok 22799
180: ok 22800
180: ok 22801
180: ok 22802
180: ok 22803
180: ok 22804
180: ok 22805
180: ok 22806
180: ok 22807
180: ok 22808
180: ok 22809
180: ok 22810
180: ok 22811
180: ok 22812
180: ok 22813
180: ok 22814
180: ok 22815
180: ok 22816
180: ok 22817
180: ok 22818
180: ok 22819
180: ok 22820
180: ok 22821
180: ok 22822
180: ok 22823
180: ok 22824
180: ok 22825
180: ok 22826
180: ok 22827
180: ok 22828
180: ok 22829
180: ok 22830
180: ok 22831
180: ok 22832
180: ok 22833
180: ok 22834
180: ok 22835
180: ok 22836
180: ok 22837
180: ok 22838
180: ok 22839
180: ok 22840
180: ok 22841
180: ok 22842
180: ok 22843
180: ok 22844
180: ok 22845
180: ok 22846
180: ok 22847
180: ok 22848
180: ok 22849
180: ok 22850
180: ok 22851
180: ok 22852
180: ok 22853
180: ok 22854
180: ok 22855
180: ok 22856
180: ok 22857
180: ok 22858
180: ok 22859
180: ok 22860
180: ok 22861
180: ok 22862
180: ok 22863
180: ok 22864
180: ok 22865
180: ok 22866
180: ok 22867
180: ok 22868
180: ok 22869
180: ok 22870
180: ok 22871
180: ok 22872
180: ok 22873
180: ok 22874
180: ok 22875
180: ok 22876
180: ok 22877
180: ok 22878
180: ok 22879
180: ok 22880
180: ok 22881
180: ok 22882
180: ok 22883
180: ok 22884
180: ok 22885
180: ok 22886
180: ok 22887
180: ok 22888
180: ok 22889
180: ok 22890
180: ok 22891
180: ok 22892
180: ok 22893
180: ok 22894
180: ok 22895
180: ok 22896
180: ok 22897
180: ok 22898
180: ok 22899
180: ok 22900
180: ok 22901
180: ok 22902
180: ok 22903
180: ok 22904
180: ok 22905
180: ok 22906
180: ok 22907
180: ok 22908
180: ok 22909
180: ok 22910
180: ok 22911
180: ok 22912
180: ok 22913
180: ok 22914
180: ok 22915
180: ok 22916
180: ok 22917
180: ok 22918
180: ok 22919
180: ok 22920
180: ok 22921
180: ok 22922
180: ok 22923
180: ok 22924
180: ok 22925
180: ok 22926
180: ok 22927
180: ok 22928
180: ok 22929
180: ok 22930
180: ok 22931
180: ok 22932
180: ok 22933
180: ok 22934
180: ok 22935
180: ok 22936
180: ok 22937
180: ok 22938
180: ok 22939
180: ok 22940
180: ok 22941
180: ok 22942
180: ok 22943
180: ok 22944
180: ok 22945
180: ok 22946
180: ok 22947
180: ok 22948
180: ok 22949
180: ok 22950
180: ok 22951
180: ok 22952
180: ok 22953
180: ok 22954
180: ok 22955
180: ok 22956
180: ok 22957
180: ok 22958
180: ok 22959
180: ok 22960
180: ok 22961
180: ok 22962
180: ok 22963
180: ok 22964
180: ok 22965
180: ok 22966
180: ok 22967
180: ok 22968
180: ok 22969
180: ok 22970
180: ok 22971
180: ok 22972
180: ok 22973
180: ok 22974
180: ok 22975
180: ok 22976
180: ok 22977
180: ok 22978
180: ok 22979
180: ok 22980
180: ok 22981
180: ok 22982
180: ok 22983
180: ok 22984
180: ok 22985
180: ok 22986
180: ok 22987
180: ok 22988
180: ok 22989
180: ok 22990
180: ok 22991
180: ok 22992
180: ok 22993
180: ok 22994
180: ok 22995
180: ok 22996
180: ok 22997
180: ok 22998
180: ok 22999
180: ok 23000
180: # math: passed testDistancesAnglesOrthogonality
180: 1..23000
180: # math: all tests are successful
202: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testkekule.py:1: SyntaxWarning: invalid escape sequence '\P'
202:   """Test OpenBabel executables from Python
202: /usr/lib64/python3.13/subprocess.py:1022: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
202:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
202: /usr/lib64/python3.13/subprocess.py:1028: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
202:   self.stdout = io.open(c2pread, 'rb', bufsize)
202: /usr/lib64/python3.13/subprocess.py:1033: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
202:   self.stderr = io.open(errread, 'rb', bufsize)
202: ...
202: ----------------------------------------------------------------------
202: Ran 3 tests in 1.009s
202: 
202: OK
202: 
191/208 Test  #62: test_lssr_2 ......................   Passed    2.51 sec
192/208 Test #182: test_math_4 ......................   Passed    2.06 sec
193/208 Test #190: test_ringtest_1 ..................   Passed    2.04 sec
194/208 Test #202: pytest_kekule ....................   Passed    2.00 sec
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qcm_jw5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qct_561.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qcx_pf1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qdt_i38.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qe2_452.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qe5_617.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qg0_a94.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qh6_ode.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qhn_582.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qhx_fe1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qhy_mz1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qhz_mz2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qi0_mz3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qi1_mz4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qi3_mz5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qi4_mz6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qi5_mz7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qi6_mz8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qi7_mz9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qia_u20.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qie_8cs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qiq_cyv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qiv_u21.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qje_bad.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qjm_cs2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qjr_pzf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ql6_tiz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qlq_sr2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qmy_ad1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qn1_0as.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qn2_0ma.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qn8_nby.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qnq_qn3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qnv_cdz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qo8_3cc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qoe_448.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qpj_i20.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qpl_bty.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qpu_qpu.sdf
162:     torsion ( -0.962,   0.342,   0.547)  ( -0.962,   0.342,   0.547)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 19.496,  -8.517,  36.588)  ( 19.496,  -8.517,  36.589)  ( 0.00,  0.00,  0.00)
162:     electro ( -5.665,   3.083,  -7.343)  ( -5.665,   3.083,  -7.343)  ( 0.00,  0.00,  0.00)
162: 33       ( 51.394,   5.706,  80.344)  ( 51.402,   5.723,  80.362)  ( 0.02,  0.30,  0.02)
162:     bond    ( 38.088, -37.097,  84.704)  ( 38.092, -37.086,  84.720)  ( 0.01,  0.03,  0.02)
162:     angle   ( 10.741,   8.517,  10.383)  ( 10.744,   8.522,  10.385)  ( 0.03,  0.06,  0.02)
162:     torsion ( -4.202,   1.286,   2.601)  ( -4.201,   1.286,   2.601)  ( 0.02,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  7.730,  29.919, -16.938)  (  7.730,  29.920, -16.938)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.963,   3.081,  -0.405)  ( -0.963,   3.081,  -0.405)  ( 0.00,  0.00,  0.00)
162: 34       (-37.323,  42.276, -81.401)  (-37.296,  42.302, -81.374)  ( 0.07,  0.06,  0.03)
162:     bond    (  0.211,  32.125, -12.515)  (  0.230,  32.142, -12.497)  ( 0.40,  0.06,  0.14)
162:     angle   (-22.919,   5.660, -35.599)  (-22.912,   5.669, -35.591)  ( 0.03,  0.15,  0.02)
162:     torsion (  2.511,  -1.101,  -2.384)  (  2.511,  -1.101,  -2.384)  ( 0.01,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-17.970,   6.141, -32.380)  (-17.970,   6.141, -32.379)  ( 0.00,  0.00,  0.00)
162:     electro (  0.844,  -0.549,   1.478)  (  0.844,  -0.549,   1.478)  ( 0.00,  0.00,  0.00)
162: 35       (  1.767,   0.470,   1.804)  (  1.772,   0.473,   1.816)  ( 0.28,  0.12,  0.62)
162:     bond    (  1.023,   0.055,   1.841)  (  1.026,   0.055,   1.852)  ( 0.32,  0.00,  0.58)
162:     angle   (  0.771,   0.161,  -0.434)  (  0.773,   0.164,  -0.433)  ( 0.12,  0.04,  0.02)
162:     torsion ( -0.225,   0.060,   0.123)  ( -0.225,   0.060,   0.123)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.081,  -0.268,   0.349)  (  0.081,  -0.268,   0.349)  ( 0.00,  0.00,  0.00)
162:     electro (  0.117,   0.463,  -0.075)  (  0.117,   0.463,  -0.075)  ( 0.00,  0.00,  0.00)
162: 36       (  8.993,  -2.785,   7.348)  (  8.998,  -2.777,   7.354)  ( 0.05,  0.27,  0.09)
162:     bond    (  1.748,  -2.436,  -2.251)  (  1.751,  -2.430,  -2.246)  ( 0.18,  0.24,  0.23)
162:     angle   (  8.379,  -4.308,  11.192)  (  8.381,  -4.306,  11.194)  ( 0.02,  0.03,  0.01)
162:     torsion (  0.616,   0.128,   0.342)  (  0.616,   0.128,   0.342)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.850,   3.192,  -2.499)  ( -2.850,   3.192,  -2.499)  ( 0.00,  0.00,  0.00)
162:     electro (  1.100,   0.638,   0.563)  (  1.100,   0.638,   0.563)  ( 0.00,  0.00,  0.00)
162: 37       (  3.026,  -2.642,  10.074)  (  3.039,  -2.638,  10.077)  ( 0.42,  0.13,  0.03)
162:     bond    ( -2.126,  -0.638,   0.376)  ( -2.114,  -0.637,   0.376)  ( 0.59,  0.07,  0.02)
162:     angle   (  4.279,  -5.791,  14.230)  (  4.279,  -5.789,  14.232)  ( 0.01,  0.04,  0.01)
162:     torsion (  0.003,   0.027,   0.062)  (  0.003,   0.027,   0.062)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.227,   3.093,  -5.770)  (  0.227,   3.093,  -5.770)  ( 0.00,  0.00,  0.00)
162:     electro (  0.644,   0.667,   1.176)  (  0.644,   0.667,   1.176)  ( 0.00,  0.00,  0.00)
162: ok 26 # gradients 
162: ok 27 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (102.152, -13.405,  11.295)  (102.186, -13.368,  11.304)  ( 0.03,  0.27,  0.08)
162:     bond    ( 65.430,  20.212,  18.860)  ( 65.454,  20.239,  18.862)  ( 0.04,  0.13,  0.01)
162:     angle   ( 64.222, -43.610,   6.621)  ( 64.231, -43.601,   6.623)  ( 0.01,  0.02,  0.03)
162:     torsion (  2.285,   1.864,  -9.889)  (  2.285,   1.864,  -9.885)  ( 0.01,  0.01,  0.04)
162:     oop     (  0.189,   0.204,  -0.875)  (  0.189,   0.204,  -0.875)  ( 0.00,  0.00,  0.04)
162:     vdw     (-29.752,   8.101,  -3.444)  (-29.752,   8.101,  -3.444)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.221,  -0.175,   0.022)  ( -0.221,  -0.175,   0.022)  ( 0.00,  0.00,  0.00)
162:  2       (-25.215,  10.780,  89.099)  (-25.178,  10.817,  89.109)  ( 0.15,  0.34,  0.01)
162:     bond    ( 34.767, -49.738,   0.175)  ( 34.796, -49.714,   0.179)  ( 0.08,  0.05,  0.05)
162:     angle   (-51.090,  50.603,  44.964)  (-51.083,  50.614,  44.966)  ( 0.02,  0.02,  0.00)
162:     torsion ( -1.548,  -4.298,  27.297)  ( -1.548,  -4.297,  27.301)  ( 0.01,  0.00,  0.02)
162:     oop     ( -0.242,  -0.222,   0.947)  ( -0.242,  -0.222,   0.947)  ( 0.00,  0.00,  0.01)
162:     vdw     ( -7.740,  18.047,  15.318)  ( -7.740,  18.048,  15.318)  ( 0.00,  0.01,  0.00)
162:     electro (  0.639,  -3.612,   0.399)  (  0.639,  -3.612,   0.399)  ( 0.00,  0.00,  0.00)
162:  3       (-83.042, -36.318, -41.768)  (-83.007, -36.282, -41.759)  ( 0.04,  0.10,  0.02)
162:     bond    (-76.007, -41.054, -29.725)  (-75.982, -41.028, -29.723)  ( 0.03,  0.07,  0.01)
162:     angle   (-38.446, -15.726,  -3.780)  (-38.436, -15.717,  -3.778)  ( 0.02,  0.06,  0.06)
162:     torsion (  5.065,   4.006, -19.830)  (  5.065,   4.006, -19.826)  ( 0.01,  0.00,  0.02)
162:     oop     (  0.501,   0.462,  -1.986)  (  0.501,   0.462,  -1.986)  ( 0.00,  0.00,  0.02)
162:     vdw     ( 25.385,  16.189,  13.419)  ( 25.385,  16.190,  13.419)  ( 0.00,  0.00,  0.00)
162:     electro (  0.460,  -0.195,   0.134)  (  0.460,  -0.195,   0.134)  ( 0.00,  0.00,  0.00)
162:  4       (-42.844, -11.172, -19.259)  (-42.811, -11.135, -19.250)  ( 0.08,  0.33,  0.05)
162:     bond    (-90.014,  22.518, -18.593)  (-89.992,  22.547, -18.589)  ( 0.02,  0.13,  0.02)
162:     angle   ( 16.795, -23.416,  -0.140)  ( 16.805, -23.409,  -0.139)  ( 0.06,  0.03,  0.02)
162:     torsion (  2.668,   4.258,  -3.869)  (  2.669,   4.258,  -3.865)  ( 0.01,  0.01,  0.10)
162:     oop     ( -0.169,  -0.157,   0.678)  ( -0.169,  -0.157,   0.678)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 26.874, -14.207,   2.581)  ( 26.875, -14.207,   2.581)  ( 0.00,  0.00,  0.00)
162:     electro (  1.002,  -0.167,   0.084)  (  1.002,  -0.167,   0.084)  ( 0.00,  0.00,  0.00)
162:  5       ( -1.994,  38.051,  22.985)  ( -1.964,  38.071,  22.992)  ( 1.50,  0.05,  0.03)
162:     bond    ( 11.228,  60.887,  19.043)  ( 11.255,  60.898,  19.046)  ( 0.25,  0.02,  0.02)
162:     angle   ( -4.676,   9.306,   0.092)  ( -4.674,   9.314,   0.093)  ( 0.04,  0.09,  0.00)
162:     torsion ( -3.291,  -3.459,  13.086)  ( -3.290,  -3.459,  13.089)  ( 0.01,  0.01,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -5.357, -25.900,  -8.663)  ( -5.357, -25.899,  -8.663)  ( 0.01,  0.00,  0.00)
162:     electro (  0.102,  -2.783,  -0.572)  (  0.102,  -2.783,  -0.572)  ( 0.00,  0.00,  0.00)
162:  6       ( -4.575, -67.943, -17.081)  ( -4.541, -67.907, -17.072)  ( 0.76,  0.05,  0.05)
162:     bond    ( 45.081, -31.332,   3.011)  ( 45.106, -31.304,   3.013)  ( 0.05,  0.09,  0.08)
162:     angle   (-31.327, -14.947,  -9.606)  (-31.318, -14.939,  -9.605)  ( 0.03,  0.05,  0.01)
162:     torsion (  0.284,   0.309,  -0.353)  (  0.285,   0.309,  -0.348)  ( 0.01,  0.01,  0.17)
162:     oop     ( -0.064,  -0.069,   0.294)  ( -0.064,  -0.069,   0.294)  ( 0.00,  0.00,  0.00)
162:     vdw     (-18.405, -22.065, -10.583)  (-18.404, -22.064, -10.583)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.145,   0.160,   0.156)  ( -0.145,   0.160,   0.156)  ( 0.00,  0.00,  0.00)
162:  7       ( 36.833, -39.537,  19.970)  ( 36.859, -39.512,  19.992)  ( 0.07,  0.06,  0.11)
162:     bond    ( 32.571, -25.330,  -0.204)  ( 32.588, -25.312,  -0.188)  ( 0.05,  0.07,  0.33)
162:     angle   (  4.414,  -0.479,  25.826)  (  4.421,  -0.472,  25.832)  ( 0.18,  0.32,  0.02)
162:     torsion (  0.416,   2.210,  -1.047)  (  0.417,   2.211,  -1.046)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.704, -15.258,  -4.685)  ( -0.704, -15.258,  -4.685)  ( 0.00,  0.00,  0.00)
162:     electro (  0.137,  -0.680,   0.080)  (  0.137,  -0.680,   0.080)  ( 0.00,  0.00,  0.00)
162:  8       ( 21.971, -40.328, -61.277)  ( 21.978, -40.307, -61.265)  ( 0.03,  0.05,  0.02)
162:     bond    ( -5.929, -10.019,  18.365)  ( -5.928, -10.000,  18.373)  ( 0.02,  0.19,  0.05)
162:     angle   ( 46.107, -45.206, -72.265)  ( 46.112, -45.204, -72.261)  ( 0.01,  0.00,  0.00)
162:     torsion ( -8.013,  -0.359,  -6.006)  ( -8.014,  -0.359,  -6.005)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -8.589,  14.436,  -2.931)  ( -8.588,  14.436,  -2.931)  ( 0.01,  0.00,  0.00)
162:     electro ( -1.604,   0.820,   1.559)  ( -1.604,   0.820,   1.559)  ( 0.00,  0.00,  0.00)
162:  9       ( -8.675, 118.199, -17.422)  ( -8.650, 118.226, -17.396)  ( 0.29,  0.02,  0.15)
162:     bond    (  8.295,  10.899, -26.302)  (  8.313,  10.916, -26.283)  ( 0.22,  0.16,  0.07)
162:     angle   (-17.304,  94.705,  14.018)  (-17.297,  94.714,  14.026)  ( 0.04,  0.01,  0.06)
162:     torsion (  3.994,  -0.046,   1.165)  (  3.994,  -0.046,   1.165)  ( 0.01,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.911,  12.378,  -5.954)  ( -3.910,  12.379,  -5.954)  ( 0.00,  0.00,  0.00)
162:     electro (  0.250,   0.263,  -0.349)  (  0.250,   0.263,  -0.349)  ( 0.00,  0.00,  0.00)
162: 10       ( 58.847,  35.904,  35.967)  ( 58.875,  35.931,  35.993)  ( 0.05,  0.08,  0.07)
162:     bond    ( 21.967,  25.002,   8.944)  ( 21.986,  25.020,   8.963)  ( 0.08,  0.07,  0.21)
162:     angle   ( 24.422,   6.592,  14.649)  ( 24.431,   6.601,  14.655)  ( 0.03,  0.13,  0.04)
162:     torsion ( -1.003,  -0.914,   4.217)  ( -1.003,  -0.914,   4.217)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.150,  -0.150,   0.657)  ( -0.150,  -0.150,   0.657)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.392,   5.370,   7.463)  ( 13.393,   5.371,   7.463)  ( 0.00,  0.01,  0.00)
162:     electro (  0.218,   0.004,   0.037)  (  0.218,   0.004,   0.037)  ( 0.00,  0.00,  0.00)
162: 11       (-73.816,  15.491,  -8.358)  (-73.788,  15.518,  -8.332)  ( 0.04,  0.18,  0.31)
162:     bond    (-49.401,  16.876,  -5.239)  (-49.382,  16.894,  -5.220)  ( 0.04,  0.11,  0.36)
162:     angle   (-11.770,   5.854,   2.961)  (-11.762,   5.863,   2.968)  ( 0.07,  0.15,  0.22)
162:     torsion (  0.420,   0.413,  -1.922)  (  0.420,   0.413,  -1.921)  ( 0.00,  0.00,  0.04)
162:     oop     ( -0.065,  -0.067,   0.286)  ( -0.065,  -0.067,   0.286)  ( 0.00,  0.00,  0.00)
162:     vdw     (-12.585,  -7.315,  -3.895)  (-12.585,  -7.314,  -3.895)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.415,  -0.270,  -0.549)  ( -0.415,  -0.270,  -0.549)  ( 0.00,  0.00,  0.00)
162: 12       (-206.624, -89.261,  -8.571)  (-206.581, -89.223,  -8.564)  ( 0.02,  0.04,  0.08)
162:     bond    (-70.340,  34.087, -12.502)  (-70.305,  34.112, -12.501)  ( 0.05,  0.07,  0.01)
162:     angle   (-122.367, -156.953,   9.517)  (-122.358, -156.940,   9.516)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.121,   0.153,   0.978)  ( -0.121,   0.154,   0.984)  ( 0.00,  0.00,  0.58)
162:     oop     (  0.003,  -0.005,  -0.029)  (  0.003,  -0.005,  -0.029)  ( 0.00,  0.00,  0.00)
162:     vdw     (-13.551,  32.310,  -6.205)  (-13.551,  32.310,  -6.205)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.249,   1.146,  -0.329)  ( -0.249,   1.146,  -0.329)  ( 0.00,  0.00,  0.00)
162: 13       (-31.232, -39.660,   2.568)  (-31.196, -39.624,   2.575)  ( 0.12,  0.09,  0.29)
162:     bond    ( 14.492, -68.239,  12.073)  ( 14.520, -68.213,  12.074)  ( 0.19,  0.04,  0.01)
162:     angle   (-55.628,  15.059,  -8.063)  (-55.620,  15.068,  -8.063)  ( 0.02,  0.06,  0.00)
162:     torsion (  0.060,  -0.095,  -0.580)  (  0.060,  -0.095,  -0.574)  ( 0.00,  0.00,  0.34)
162:     oop     ( -0.011,   0.016,   0.103)  ( -0.011,   0.016,   0.104)  ( 0.00,  0.00,  0.01)
162:     vdw     ( 10.146,  13.486,  -0.949)  ( 10.146,  13.486,  -0.949)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.291,   0.114,  -0.015)  ( -0.291,   0.114,  -0.015)  ( 0.00,  0.00,  0.00)
162: 14       ( 16.764,  -3.594,   1.930)  ( 16.799,  -3.556,   1.938)  ( 0.21,  1.04,  0.42)
162:     bond    (-72.072, -22.005,  -4.451)  (-72.048, -21.975,  -4.449)  ( 0.03,  0.14,  0.04)
162:     angle   ( 55.376,  21.622,   2.672)  ( 55.386,  21.630,   2.672)  ( 0.02,  0.03,  0.01)
162:     torsion (  0.028,  -0.040,  -0.269)  (  0.028,  -0.040,  -0.263)  ( 0.00,  0.00,  0.15)
162:     oop     (  0.008,  -0.012,  -0.076)  (  0.008,  -0.012,  -0.075)  ( 0.00,  0.00,  0.01)
162:     vdw     ( 33.453,  -3.053,   4.002)  ( 33.454,  -3.053,   4.002)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.029,  -0.106,   0.051)  ( -0.029,  -0.106,   0.051)  ( 0.00,  0.00,  0.00)
162: 15       (  8.467, -15.615,   2.941)  (  8.505, -15.580,   2.949)  ( 0.44,  0.22,  0.27)
162:     bond    ( -2.650,  74.579, -11.566)  ( -2.621,  74.604, -11.565)  ( 1.11,  0.03,  0.01)
162:     angle   ( -2.162, -58.460,   8.600)  ( -2.154, -58.451,   8.601)  ( 0.36,  0.02,  0.00)
162:     torsion (  0.050,  -0.070,  -0.477)  (  0.050,  -0.070,  -0.471)  ( 0.00,  0.00,  0.26)
162:     oop     ( -0.005,   0.008,   0.050)  ( -0.005,   0.008,   0.051)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 12.804, -31.465,   6.212)  ( 12.805, -31.464,   6.211)  ( 0.00,  0.00,  0.00)
162:     electro (  0.430,  -0.207,   0.121)  (  0.430,  -0.207,   0.121)  ( 0.00,  0.00,  0.00)
162: 16       ( 63.763,  54.797,  -0.993)  ( 63.799,  54.833,  -0.985)  ( 0.06,  0.06,  0.79)
162:     bond    ( 71.764,  10.866,   5.920)  ( 71.791,  10.892,   5.922)  ( 0.04,  0.24,  0.02)
162:     angle   (  1.899,  57.441,  -7.724)  (  1.908,  57.450,  -7.724)  ( 0.47,  0.02,  0.00)
162:     torsion (  0.025,  -0.072,  -0.434)  (  0.025,  -0.072,  -0.428)  ( 0.00,  0.00,  0.26)
162:     oop     ( -0.014,   0.020,   0.131)  ( -0.014,   0.020,   0.131)  ( 0.00,  0.00,  0.01)
162:     vdw     ( -9.891, -13.625,   1.091)  ( -9.891, -13.625,   1.091)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.021,   0.167,   0.022)  ( -0.021,   0.167,   0.022)  ( 0.00,  0.00,  0.00)
162: 17       (-104.398, 269.781, -48.554)  (-104.358, 269.821, -48.545)  ( 0.04,  0.01,  0.02)
162:     bond    (-121.876,  77.612, -22.958)  (-121.848,  77.645, -22.956)  ( 0.02,  0.04,  0.01)
162:     angle   ( 52.475, 188.373, -23.225)  ( 52.487, 188.380, -23.225)  ( 0.02,  0.00,  0.00)
162:     torsion ( -0.147,   0.296,   1.932)  ( -0.147,   0.296,   1.938)  ( 0.00,  0.00,  0.34)
162:     oop     (  0.005,  -0.007,  -0.048)  (  0.005,  -0.007,  -0.048)  ( 0.00,  0.00,  0.00)
162:     vdw     (-34.504,   3.961,  -4.024)  (-34.504,   3.961,  -4.024)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.351,  -0.454,  -0.231)  ( -0.351,  -0.454,  -0.231)  ( 0.00,  0.00,  0.00)
162: 18       (266.899,  64.087,  16.746)  (266.934,  64.124,  16.749)  ( 0.01,  0.06,  0.02)
162:     bond    (132.317,  -0.927,  13.697)  (132.343,  -0.898,  13.698)  ( 0.02,  2.68,  0.01)
162:     angle   (102.842, 120.385,  -6.104)  (102.851, 120.393,  -6.104)  ( 0.01,  0.01,  0.01)
162:     torsion ( -0.378,   0.601,   4.209)  ( -0.378,   0.601,   4.211)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 28.720, -49.200,   2.599)  ( 28.720, -49.199,   2.599)  ( 0.00,  0.00,  0.00)
162:     electro (  3.398,  -6.773,   2.345)  (  3.398,  -6.773,   2.345)  ( 0.00,  0.00,  0.00)
162: 19       (-1538.742, 1188.788, -276.653)  (-1538.710, 1188.828, -276.640)  ( 0.00,  0.00,  0.00)
162:     bond    (-1545.879, 1191.431, -274.504)  (-1545.847, 1191.469, -274.493)  ( 0.00,  0.00,  0.00)
162:     angle   (  1.487,  -4.525,  -0.024)  (  1.487,  -4.523,  -0.023)  ( 0.01,  0.05,  0.00)
162:     torsion (  2.548,   2.036,   1.544)  (  2.548,   2.036,   1.545)  ( 0.00,  0.00,  0.07)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.143,  -0.004,  -2.932)  (  4.144,  -0.004,  -2.932)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.041,  -0.150,  -0.737)  ( -1.041,  -0.150,  -0.737)  ( 0.00,  0.00,  0.00)
162: 20       ( 86.436, 706.025, -101.088)  ( 86.458, 706.051, -101.081)  ( 0.03,  0.00,  0.01)
162:     bond    (151.196, 878.960, -118.276)  (151.217, 878.983, -118.271)  ( 0.01,  0.00,  0.00)
162:     angle   (-67.603, -173.081,  19.919)  (-67.602, -173.079,  19.919)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.274,  -0.460,  -3.000)  (  0.274,  -0.460,  -2.998)  ( 0.00,  0.00,  0.06)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.533,  -0.331,  -1.224)  (  1.533,  -0.331,  -1.224)  ( 0.00,  0.00,  0.00)
162:     electro (  1.035,   0.938,   1.494)  (  1.035,   0.938,   1.494)  ( 0.00,  0.00,  0.00)
162: 21       (1495.435, -2134.121, 408.407)  (1495.458, -2134.091, 408.423)  ( 0.00,  0.00,  0.00)
162:     bond    (1489.384, -2120.756, 422.184)  (1489.406, -2120.728, 422.199)  ( 0.00,  0.00,  0.00)
162:     angle   (  4.342,  -5.879, -12.450)  (  4.342,  -5.877, -12.449)  ( 0.01,  0.02,  0.01)
162:     torsion (  1.876,  -6.333,   0.144)  (  1.876,  -6.333,   0.145)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.735,  -1.231,  -1.506)  (  2.735,  -1.231,  -1.506)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.902,   0.078,   0.035)  ( -2.902,   0.078,   0.035)  ( 0.00,  0.00,  0.00)
162: 22       (-51.923,  27.002,   1.657)  (-51.916,  27.014,   1.659)  ( 0.01,  0.05,  0.06)
162:     bond    (-20.900, -26.742,  -4.766)  (-20.893, -26.730,  -4.766)  ( 0.03,  0.04,  0.01)
162:     angle   ( -5.057,   1.912,  11.443)  ( -5.057,   1.912,  11.444)  ( 0.00,  0.00,  0.01)
162:     torsion ( -3.586,   3.178,  -2.103)  ( -3.586,   3.178,  -2.103)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-31.069,  49.001,  -3.748)  (-31.068,  49.002,  -3.748)  ( 0.00,  0.00,  0.00)
162:     electro (  8.688,  -0.348,   0.831)  (  8.688,  -0.348,   0.831)  ( 0.00,  0.00,  0.00)
162: 23       ( -3.878,   2.588,  -1.893)  ( -3.870,   2.596,  -1.891)  ( 0.23,  0.31,  0.13)
162:     bond    ( -0.574,  -0.525,  -0.252)  ( -0.566,  -0.519,  -0.250)  ( 0.40,  0.31,  0.03)
162:     angle   ( -5.635,   6.083,   0.123)  ( -5.633,   6.085,   0.123)  ( 0.03,  0.03,  0.00)
162:     torsion (  0.329,   0.326,  -1.421)  (  0.329,   0.326,  -1.420)  ( 0.00,  0.00,  0.07)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.425,  -3.472,  -0.465)  (  2.425,  -3.472,  -0.465)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.424,   0.176,   0.122)  ( -0.424,   0.176,   0.122)  ( 0.00,  0.00,  0.00)
162: 24       (  7.995,   5.188,  -8.011)  (  7.998,   5.202,  -8.008)  ( 0.04,  0.26,  0.03)
162:     bond    (  1.778,   9.862,  -1.175)  (  1.779,   9.875,  -1.175)  ( 0.03,  0.14,  0.02)
162:     angle   (  5.650,  -2.229, -10.182)  (  5.652,  -2.229, -10.180)  ( 0.04,  0.01,  0.02)
162:     torsion ( -3.745,   0.362,  -2.628)  ( -3.745,   0.362,  -2.628)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.871,  -2.924,   6.832)  (  3.871,  -2.924,   6.832)  ( 0.01,  0.00,  0.00)
162:     electro (  0.441,   0.118,  -0.859)  (  0.441,   0.118,  -0.859)  ( 0.00,  0.00,  0.00)
162: 25       (  3.805,   6.261,  -9.494)  (  3.810,   6.265,  -9.483)  ( 0.15,  0.06,  0.11)
162:     bond    ( -0.049,  -0.029,  -0.085)  ( -0.046,  -0.027,  -0.075)  ( 0.02,  0.00,  0.08)
162:     angle   ( -0.551,  24.710,  -8.633)  ( -0.549,  24.712,  -8.632)  ( 0.12,  0.01,  0.01)
162:     torsion (  1.574,  -4.084,   0.532)  (  1.574,  -4.084,   0.532)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.456, -13.791,  -0.063)  (  2.456, -13.791,  -0.063)  ( 0.00,  0.00,  0.00)
162:     electro (  0.375,  -0.545,  -1.244)  (  0.375,  -0.545,  -1.244)  ( 0.00,  0.00,  0.00)
162: 26       ( -4.871, -15.773,  15.087)  ( -4.869, -15.767,  15.097)  ( 0.05,  0.04,  0.07)
162:     bond    ( -2.603,   5.540,   8.677)  ( -2.602,   5.544,   8.687)  ( 0.03,  0.07,  0.11)
162:     angle   ( -3.041, -32.251,  19.671)  ( -3.039, -32.249,  19.672)  ( 0.06,  0.01,  0.00)
162:     torsion ( -1.919,   0.000,  -0.575)  ( -1.919,   0.000,  -0.575)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.187,  10.150, -11.492)  (  2.187,  10.150, -11.491)  ( 0.00,  0.00,  0.00)
162:     electro (  0.505,   0.787,  -1.195)  (  0.505,   0.787,  -1.195)  ( 0.00,  0.00,  0.00)
162: 27       (  1.735,  -0.888,   2.081)  (  1.744,  -0.882,   2.084)  ( 0.55,  0.54,  0.14)
162:     bond    (  2.163,  -1.595,   0.593)  (  2.172,  -1.591,   0.594)  ( 0.40,  0.29,  0.04)
162:     angle   ( -1.176,  -1.400,   0.551)  ( -1.175,  -1.398,   0.553)  ( 0.07,  0.10,  0.13)
162:     torsion (  0.730,   1.478,   1.289)  (  0.730,   1.478,   1.289)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.029,  -0.328,   0.071)  ( -0.029,  -0.328,   0.071)  ( 0.00,  0.00,  0.00)
162:     electro (  0.046,   0.956,  -0.422)  (  0.046,   0.956,  -0.422)  ( 0.00,  0.00,  0.00)
162: 28       (  0.954,  -5.346,  -0.633)  (  0.963,  -5.340,  -0.630)  ( 0.87,  0.12,  0.21)
162:     bond    ( -2.542,  -1.968,  -0.836)  ( -2.534,  -1.963,  -0.835)  ( 0.32,  0.25,  0.08)
162:     angle   (  2.418,  -3.758,   1.489)  (  2.418,  -3.757,   1.492)  ( 0.04,  0.04,  0.16)
162:     torsion (  0.984,  -1.067,  -0.477)  (  0.984,  -1.067,  -0.477)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.212,   0.467,  -0.324)  ( -0.212,   0.467,  -0.324)  ( 0.00,  0.00,  0.00)
162:     electro (  0.307,   0.980,  -0.486)  (  0.307,   0.980,  -0.486)  ( 0.00,  0.00,  0.00)
162: 29       ( -2.244,   1.339,  -9.097)  ( -2.236,   1.344,  -9.091)  ( 0.34,  0.43,  0.06)
162:     bond    ( -1.127,   0.796,  -0.929)  ( -1.120,   0.799,  -0.925)  ( 0.57,  0.26,  0.41)
162:     angle   ( -2.303, -19.066, -13.691)  ( -2.302, -19.064, -13.690)  ( 0.05,  0.01,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.469,  18.917,   5.895)  (  1.469,  18.918,   5.895)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.283,   0.691,  -0.371)  ( -0.283,   0.691,  -0.371)  ( 0.00,  0.00,  0.00)
162: 30       (  0.093,  -0.960,   8.322)  (  0.098,  -0.956,   8.332)  ( 0.05,  0.39,  0.12)
162:     bond    ( -3.132,  -2.734,   5.362)  ( -3.129,  -2.732,   5.371)  ( 0.10,  0.08,  0.17)
162:     angle   (  3.096,   1.352,   2.493)  (  3.098,   1.354,   2.493)  ( 0.06,  0.13,  0.04)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.323,   0.789,   0.324)  (  0.323,   0.789,   0.324)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.194,  -0.368,   0.143)  ( -0.194,  -0.368,   0.143)  ( 0.00,  0.00,  0.00)
162: 31       (  1.164,  -3.174,  -9.797)  (  1.168,  -3.165,  -9.791)  ( 0.37,  0.27,  0.06)
162:     bond    (  2.928,  -6.193,  -4.835)  (  2.929,  -6.186,  -4.831)  ( 0.06,  0.12,  0.10)
162:     angle   (-14.636,   2.588, -12.191)  (-14.634,   2.589, -12.190)  ( 0.01,  0.04,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 14.644,   0.498,   7.769)  ( 14.645,   0.498,   7.769)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.773,  -0.066,  -0.540)  ( -1.773,  -0.066,  -0.540)  ( 0.00,  0.00,  0.00)
162: 32       (  8.966,   3.718,  -1.249)  (  8.973,   3.727,  -1.247)  ( 0.08,  0.24,  0.18)
162:     bond    (  5.952,   6.761,   1.241)  (  5.959,   6.769,   1.242)  ( 0.10,  0.12,  0.02)
162:     angle   (  9.189,  -7.564,  -2.877)  (  9.190,  -7.563,  -2.875)  ( 0.01,  0.01,  0.07)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.465,   3.912,   0.042)  ( -6.465,   3.912,   0.042)  ( 0.00,  0.00,  0.00)
162:     electro (  0.289,   0.609,   0.344)  (  0.289,   0.609,   0.344)  ( 0.00,  0.00,  0.00)
162: 33       (  4.858,   2.418,  -8.841)  (  4.862,   2.423,  -8.831)  ( 0.07,  0.22,  0.11)
162:     bond    (  2.541,  -4.385,  -6.934)  (  2.542,  -4.381,  -6.924)  ( 0.05,  0.08,  0.13)
162:     angle   (  6.028,   7.272,  -2.389)  (  6.030,   7.274,  -2.388)  ( 0.03,  0.02,  0.03)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -5.260,  -1.149,   0.216)  ( -5.260,  -1.149,   0.216)  ( 0.00,  0.00,  0.00)
162:     electro (  1.549,   0.680,   0.265)  (  1.549,   0.680,   0.265)  ( 0.00,  0.00,  0.00)
162: 34       ( -0.628,   0.434,   8.528)  ( -0.625,   0.440,   8.538)  ( 0.16,  0.28,  0.11)
162:     bond    (  0.251,  -3.966,   5.301)  (  0.251,  -3.961,   5.311)  ( 0.00,  0.13,  0.17)
162:     angle   (  0.170,   4.417,   3.287)  (  0.173,   4.419,   3.287)  ( 0.04,  0.03,  0.02)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.706,  -0.232,  -1.036)  ( -1.706,  -0.232,  -1.036)  ( 0.00,  0.00,  0.00)
162:     electro (  0.657,   0.214,   0.976)  (  0.657,   0.214,   0.976)  ( 0.00,  0.00,  0.00)
162: 35       (  8.248,   6.901,  -0.584)  (  8.255,   6.911,  -0.583)  ( 0.09,  0.15,  0.09)
162:     bond    (  5.924,   8.036,  -0.594)  (  5.929,   8.045,  -0.594)  ( 0.08,  0.12,  0.00)
162:     angle   (  1.921,  -1.386,   0.451)  (  1.924,  -1.384,   0.451)  ( 0.12,  0.08,  0.00)
162:     torsion (  0.038,  -0.054,  -0.357)  (  0.038,  -0.054,  -0.355)  ( 0.00,  0.00,  0.05)
162:     oop     (  0.004,  -0.006,  -0.040)  (  0.004,  -0.006,  -0.040)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.584,   0.227,   0.036)  (  0.584,   0.227,   0.036)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.224,   0.084,  -0.081)  ( -0.224,   0.084,  -0.081)  ( 0.00,  0.00,  0.00)
162: 36       (-11.234,   3.388,  -2.136)  (-11.220,   3.392,  -2.134)  ( 0.13,  0.11,  0.08)
162:     bond    (-12.281,   1.560,  -1.568)  (-12.267,   1.560,  -1.568)  ( 0.11,  0.02,  0.02)
162:     angle   (  0.218,   1.503,  -0.206)  (  0.218,   1.506,  -0.206)  ( 0.00,  0.22,  0.00)
162:     torsion (  0.040,  -0.057,  -0.375)  (  0.040,  -0.057,  -0.373)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.007)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.374,   0.156,   0.019)  (  0.374,   0.156,   0.019)  ( 0.00,  0.00,  0.00)
162:     electro (  0.414,   0.226,  -0.013)  (  0.414,   0.226,  -0.013)  ( 0.00,  0.00,  0.00)
162: 37       ( -7.663,   9.470,  -2.292)  ( -7.657,   9.482,  -2.290)  ( 0.07,  0.13,  0.08)
162:     bond    ( -5.129,  11.363,  -2.288)  ( -5.126,  11.374,  -2.287)  ( 0.05,  0.10,  0.02)
162:     angle   ( -2.392,  -1.097,  -0.098)  ( -2.389,  -1.097,  -0.098)  ( 0.12,  0.05,  0.00)
162:     torsion ( -0.006,   0.008,   0.049)  ( -0.006,   0.008,   0.051)  ( 0.00,  0.00,  0.01)
162:     oop     (  0.004,  -0.005,  -0.036)  (  0.004,  -0.005,  -0.036)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.035,  -0.400,   0.057)  ( -0.035,  -0.400,   0.057)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.105,  -0.398,   0.023)  ( -0.105,  -0.398,   0.023)  ( 0.00,  0.00,  0.00)
162: 38       ( -7.103,  -7.577,   1.149)  ( -7.095,  -7.567,   1.150)  ( 0.10,  0.14,  0.13)
162:     bond    ( -6.172,  -8.092,   0.595)  ( -6.167,  -8.083,   0.595)  ( 0.09,  0.11,  0.00)
162:     angle   ( -0.200,   0.150,   0.009)  ( -0.197,   0.151,   0.009)  ( 0.04,  0.02,  0.00)
162:     torsion ( -0.081,   0.120,   0.791)  ( -0.081,   0.120,   0.793)  ( 0.00,  0.00,  0.11)
162:     oop     (  0.007,  -0.010,  -0.065)  (  0.007,  -0.010,  -0.065)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.021,  -0.614,   0.092)  ( -0.021,  -0.614,   0.092)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.636,   0.869,  -0.272)  ( -0.636,   0.869,  -0.272)  ( 0.00,  0.00,  0.00)
162: 39       ( 14.544, -46.771,   5.984)  ( 14.549, -46.755,   5.985)  ( 0.03,  0.03,  0.02)
162:     bond    (-11.935, -42.857,   4.341)  (-11.933, -42.841,   4.341)  ( 0.01,  0.04,  0.01)
162:     angle   ( 34.112,  -9.074,   4.235)  ( 34.116,  -9.073,   4.235)  ( 0.01,  0.00,  0.00)
162:     torsion (  0.147,  -0.213,  -1.697)  (  0.147,  -0.213,  -1.696)  ( 0.00,  0.00,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.255,  -1.843,   0.086)  (  2.255,  -1.843,   0.086)  ( 0.00,  0.00,  0.00)
162:     electro (-10.036,   7.216,  -0.981)  (-10.036,   7.216,  -0.980)  ( 0.00,  0.00,  0.00)
162: ok 28 # gradients 
162: ok 29 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (-266.482, -479.694, -43.813)  (-266.456, -479.664, -43.790)  ( 0.01,  0.01,  0.05)
162:     bond    (-76.378, -83.328,   5.828)  (-76.359, -83.306,   5.843)  ( 0.03,  0.03,  0.27)
162:     angle   (-184.516, -391.126, -46.098)  (-184.508, -391.119, -46.091)  ( 0.00,  0.00,  0.02)
162:     torsion (  1.060,  -0.726,   1.536)  (  1.060,  -0.726,   1.536)  ( 0.02,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.793,  -4.720,  -5.317)  ( -6.793,  -4.720,  -5.317)  ( 0.00,  0.00,  0.00)
162:     electro (  0.145,   0.206,   0.239)  (  0.145,   0.206,   0.239)  ( 0.00,  0.00,  0.00)
162:  2       (-132.059,  49.062, 150.864)  (-132.031,  49.085, 150.890)  ( 0.02,  0.05,  0.02)
162:     bond    ( -1.376,  30.055, -80.272)  ( -1.356,  30.069, -80.253)  ( 1.43,  0.04,  0.02)
162:     angle   (-124.451,  16.569, 235.148)  (-124.442,  16.579, 235.155)  ( 0.01,  0.06,  0.00)
162:     torsion ( -2.945,  -0.838,  -1.648)  ( -2.945,  -0.837,  -1.648)  ( 0.01,  0.03,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.377,   3.420,  -2.472)  ( -3.377,   3.420,  -2.472)  ( 0.00,  0.00,  0.00)
162:     electro (  0.090,  -0.145,   0.108)  (  0.090,  -0.145,   0.108)  ( 0.00,  0.00,  0.00)
162:  3       (110.160, 148.761, -292.810)  (110.190, 148.785, -292.785)  ( 0.03,  0.02,  0.01)
162:     bond    (  8.731,  23.950, -81.012)  (  8.753,  23.968, -80.997)  ( 0.25,  0.07,  0.02)
162:     angle   (101.841,  71.301, -240.322)  (101.848,  71.307, -240.312)  ( 0.01,  0.01,  0.00)
162:     torsion (  0.513,  51.059,  29.046)  (  0.513,  51.059,  29.046)  ( 0.00,  0.00,  0.00)
162:     oop     ( -2.509,   2.630,   4.705)  ( -2.509,   2.630,   4.704)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.594,  -0.021,  -5.411)  (  1.595,  -0.021,  -5.411)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.011,  -0.158,   0.186)  ( -0.011,  -0.158,   0.186)  ( 0.00,  0.00,  0.00)
162:  4       (-30.625, 274.618, 409.412)  (-30.601, 274.644, 409.441)  ( 0.08,  0.01,  0.01)
162:     bond    (-18.678,  45.805, 103.924)  (-18.662,  45.823, 103.946)  ( 0.09,  0.04,  0.02)
162:     angle   ( -9.785, 221.954, 301.672)  ( -9.776, 221.961, 301.679)  ( 0.08,  0.00,  0.00)
162:     torsion (  0.405,   0.933,  -0.441)  (  0.406,   0.934,  -0.440)  ( 0.01,  0.03,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.402,   6.262,   4.497)  ( -2.402,   6.263,   4.497)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.166,  -0.336,  -0.240)  ( -0.166,  -0.336,  -0.240)  ( 0.00,  0.00,  0.00)
162:  5       (-137.416, -531.065, -97.350)  (-137.384, -531.040, -97.333)  ( 0.02,  0.00,  0.02)
162:     bond    ( 88.506, -87.549,  -9.444)  ( 88.531, -87.530,  -9.433)  ( 0.03,  0.02,  0.12)
162:     angle   (-157.117, -341.106,  92.987)  (-157.111, -341.100,  92.994)  ( 0.00,  0.00,  0.01)
162:     torsion (-51.264, -122.036, -154.726)  (-51.263, -122.036, -154.727)  ( 0.00,  0.00,  0.00)
162:     oop     ( -1.611, -11.797, -24.093)  ( -1.610, -11.797, -24.093)  ( 0.01,  0.00,  0.00)
162:     vdw     (-15.854,  31.751,  -2.089)  (-15.853,  31.752,  -2.089)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.077,  -0.328,   0.014)  ( -0.077,  -0.328,   0.014)  ( 0.00,  0.00,  0.00)
162:  6       (245.381, 296.830,  31.668)  (245.414, 296.859,  31.682)  ( 0.01,  0.01,  0.04)
162:     bond    (-29.392, -55.954,  71.590)  (-29.364, -55.933,  71.598)  ( 0.09,  0.04,  0.01)
162:     angle   (185.102, 258.572, -102.084)  (185.107, 258.580, -102.079)  ( 0.00,  0.00,  0.00)
162:     torsion ( 62.393,  63.069,  66.961)  ( 62.393,  63.070,  66.961)  ( 0.00,  0.00,  0.00)
162:     oop     (  8.791,   9.410,  14.566)  (  8.791,   9.411,  14.567)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 18.952,  22.069, -19.310)  ( 18.952,  22.070, -19.310)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.465,  -0.337,  -0.055)  ( -0.465,  -0.337,  -0.055)  ( 0.00,  0.00,  0.00)
162:  7       (-401.813, -73.073,  28.170)  (-401.780, -73.042,  28.179)  ( 0.01,  0.04,  0.03)
162:     bond    (-149.923, -28.956,   2.127)  (-149.897, -28.932,   2.133)  ( 0.02,  0.08,  0.27)
162:     angle   (-208.356, -55.507,  -2.256)  (-208.351, -55.499,  -2.251)  ( 0.00,  0.01,  0.20)
162:     torsion (-70.028,  -4.287,  30.371)  (-70.028,  -4.286,  30.369)  ( 0.00,  0.00,  0.01)
162:     oop     (-12.729,   8.838,   8.229)  (-12.728,   8.838,   8.229)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 39.726,   6.305,  -9.508)  ( 39.727,   6.305,  -9.508)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.503,   0.533,  -0.794)  ( -0.503,   0.533,  -0.794)  ( 0.00,  0.00,  0.00)
162:  8       ( 89.558, -165.608, 378.995)  ( 89.583, -165.575, 379.011)  ( 0.03,  0.02,  0.00)
162:     bond    (-12.719, 127.733,  52.907)  (-12.701, 127.758,  52.919)  ( 0.14,  0.02,  0.02)
162:     angle   ( 59.540, -254.126, 333.740)  ( 59.549, -254.119, 333.744)  ( 0.01,  0.00,  0.00)
162:     torsion ( 16.921,   0.360, -13.615)  ( 16.921,   0.360, -13.616)  ( 0.00,  0.01,  0.01)
162:     oop     (  8.991,  -8.957,   3.518)  (  8.992,  -8.956,   3.518)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 17.205, -31.007,   3.025)  ( 17.205, -31.006,   3.025)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.381,   0.388,  -0.579)  ( -0.381,   0.388,  -0.579)  ( 0.00,  0.00,  0.00)
162:  9       (181.050, 212.936, -503.785)  (181.074, 212.952, -503.754)  ( 0.01,  0.01,  0.01)
162:     bond    ( 54.926,  21.639, -111.990)  ( 54.943,  21.649, -111.962)  ( 0.03,  0.05,  0.02)
162:     angle   (154.408, 215.364, -335.099)  (154.416, 215.371, -335.095)  ( 0.00,  0.00,  0.00)
162:     torsion (-22.776, -29.287, -77.090)  (-22.776, -29.288, -77.091)  ( 0.00,  0.00,  0.00)
162:     oop     ( 14.301,  11.997,  -6.900)  ( 14.301,  11.997,  -6.899)  ( 0.00,  0.00,  0.00)
162:     vdw     (-19.011,  -7.904,  28.441)  (-19.010,  -7.903,  28.441)  ( 0.00,  0.01,  0.00)
162:     electro ( -0.798,   1.127,  -1.148)  ( -0.798,   1.127,  -1.148)  ( 0.00,  0.00,  0.00)
162: 10       (-110.980, -89.621, 508.052)  (-110.951, -89.590, 508.066)  ( 0.03,  0.03,  0.00)
162:     bond    ( 59.114,  26.350,  -5.703)  ( 59.132,  26.376,  -5.692)  ( 0.03,  0.10,  0.19)
162:     angle   (-159.699, -148.196, 364.979)  (-159.690, -148.191, 364.982)  ( 0.01,  0.00,  0.00)
162:     torsion ( 26.353,  29.164, 110.319)  ( 26.353,  29.164, 110.319)  ( 0.00,  0.00,  0.00)
162:     oop     ( -4.165,   8.811,  20.079)  ( -4.165,   8.811,  20.079)  ( 0.00,  0.00,  0.00)
162:     vdw     (-32.950,  -5.653,  18.948)  (-32.949,  -5.652,  18.948)  ( 0.00,  0.00,  0.00)
162:     electro (  0.368,  -0.097,  -0.570)  (  0.368,  -0.097,  -0.570)  ( 0.00,  0.00,  0.00)
162: 11       ( 56.378,  -4.697, -170.713)  ( 56.403,  -4.667, -170.689)  ( 0.05,  0.64,  0.01)
162:     bond    (-90.846, -30.106,   8.396)  (-90.828, -30.087,   8.413)  ( 0.02,  0.07,  0.20)
162:     angle   (119.802,  13.861, -237.361)  (119.810,  13.871, -237.353)  ( 0.01,  0.07,  0.00)
162:     torsion ( 29.207,  14.568,  65.225)  ( 29.207,  14.568,  65.225)  ( 0.00,  0.00,  0.00)
162:     oop     ( -3.616,  -0.940,  -3.440)  ( -3.616,  -0.940,  -3.440)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.733,  -2.762,  -2.198)  (  1.733,  -2.762,  -2.198)  ( 0.00,  0.00,  0.00)
162:     electro (  0.097,   0.683,  -1.336)  (  0.097,   0.683,  -1.336)  ( 0.00,  0.00,  0.00)
162: 12       (180.244, -95.216, -388.464)  (180.269, -95.191, -388.435)  ( 0.01,  0.03,  0.01)
162:     bond    ( 50.891, -34.511, -102.084)  ( 50.909, -34.494, -102.063)  ( 0.04,  0.05,  0.02)
162:     angle   (129.592, -56.377, -281.676)  (129.599, -56.369, -281.668)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.461,   0.236,  -0.331)  ( -0.461,   0.236,  -0.331)  ( 0.01,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.263,  -4.446,  -3.428)  (  0.263,  -4.446,  -3.428)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.041,  -0.118,  -0.945)  ( -0.041,  -0.118,  -0.945)  ( 0.00,  0.00,  0.00)
162: 13       (177.159, -749.884, 357.327)  (177.174, -749.860, 357.355)  ( 0.01,  0.00,  0.01)
162:     bond    (-44.902, -130.055, 126.312)  (-44.885, -130.041, 126.343)  ( 0.04,  0.01,  0.02)
162:     angle   (216.616, -602.738, 233.791)  (216.618, -602.728, 233.790)  ( 0.00,  0.00,  0.00)
162:     torsion (  1.742, -11.601,  -8.917)  (  1.740, -11.601,  -8.919)  ( 0.13,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.733,  -4.260,   5.522)  (  3.734,  -4.260,   5.522)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.031,  -1.230,   0.619)  ( -0.031,  -1.230,   0.619)  ( 0.00,  0.00,  0.00)
162: 14       (-556.433, 545.313, 144.224)  (-556.456, 545.339, 144.202)  ( 0.00,  0.00,  0.02)
162:     bond    ( 81.201, 143.057, -90.224)  ( 81.207, 143.080, -90.217)  ( 0.01,  0.02,  0.01)
162:     angle   (-649.254, 403.667, 216.950)  (-649.268, 403.671, 216.934)  ( 0.00,  0.00,  0.01)
162:     torsion (  7.273,   2.361,  10.183)  (  7.258,   2.361,  10.170)  ( 0.20,  0.00,  0.13)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.736,  -4.191,   9.144)  (  4.736,  -4.190,   9.144)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.389,   0.418,  -1.830)  ( -0.389,   0.418,  -1.830)  ( 0.00,  0.00,  0.00)
162: 15       ( 76.350, 389.501, -193.205)  ( 76.358, 389.506, -193.187)  ( 0.01,  0.00,  0.01)
162:     bond    (-16.374,  -6.624, -25.478)  (-16.366,  -6.622, -25.460)  ( 0.05,  0.02,  0.07)
162:     angle   (100.420, 396.337, -167.640)  (100.420, 396.341, -167.641)  ( 0.00,  0.00,  0.00)
162:     torsion ( -2.927,   5.455,   0.463)  ( -2.927,   5.455,   0.463)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.167,   0.434,  -0.320)  ( -0.167,   0.434,  -0.319)  ( 0.00,  0.00,  0.00)
162:     electro ( -4.602,  -6.102,  -0.229)  ( -4.602,  -6.102,  -0.229)  ( 0.00,  0.00,  0.00)
162: 16       ( 78.937, 133.256, -20.896)  ( 78.950, 133.259, -20.894)  ( 0.02,  0.00,  0.01)
162:     bond    ( 57.660,  -9.711,  -1.294)  ( 57.674,  -9.710,  -1.293)  ( 0.02,  0.01,  0.02)
162:     angle   ( 24.213, 146.344, -19.060)  ( 24.213, 146.346, -19.059)  ( 0.00,  0.00,  0.01)
162:     torsion (  0.031,   0.059,   0.940)  (  0.031,   0.059,   0.940)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.860,  -3.336,  -1.462)  ( -2.860,  -3.336,  -1.462)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.107,  -0.099,  -0.020)  ( -0.107,  -0.099,  -0.020)  ( 0.00,  0.00,  0.00)
162: 17       ( 96.618, 110.889, -34.524)  ( 96.621, 110.897, -34.515)  ( 0.00,  0.01,  0.03)
162:     bond    (  0.060,  35.420,  37.564)  (  0.060,  35.427,  37.571)  ( 0.00,  0.02,  0.02)
162:     angle   ( 97.288,  76.300, -72.104)  ( 97.290,  76.301, -72.103)  ( 0.00,  0.00,  0.00)
162:     torsion ( -0.377,   0.283,  -0.266)  ( -0.377,   0.283,  -0.266)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.298,  -0.992,   0.292)  ( -0.298,  -0.992,   0.292)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.055,  -0.122,  -0.010)  ( -0.055,  -0.122,  -0.010)  ( 0.00,  0.00,  0.00)
162: 18       (152.532, 125.133,  49.263)  (152.534, 125.140,  49.273)  ( 0.00,  0.01,  0.02)
162:     bond    (  1.891,  37.018, -40.293)  (  1.892,  37.025, -40.286)  ( 0.01,  0.02,  0.02)
162:     angle   (152.656,  91.410,  91.178)  (152.658,  91.411,  91.179)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.516,  -0.455,  -0.394)  (  0.516,  -0.455,  -0.394)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.445,  -2.751,  -1.170)  ( -2.445,  -2.751,  -1.170)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.086,  -0.090,  -0.057)  ( -0.086,  -0.090,  -0.057)  ( 0.00,  0.00,  0.00)
162: 19       ( 33.598,  47.349,  77.603)  ( 33.602,  47.354,  77.613)  ( 0.01,  0.01,  0.01)
162:     bond    ( 19.727, -25.506,  49.933)  ( 19.729, -25.503,  49.943)  ( 0.01,  0.01,  0.02)
162:     angle   ( 16.295,  69.516,  29.060)  ( 16.297,  69.518,  29.061)  ( 0.01,  0.00,  0.00)
162:     torsion (  1.324,  -0.032,  -0.539)  (  1.324,  -0.032,  -0.539)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.715,   3.219,  -0.642)  ( -3.715,   3.219,  -0.642)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.034,   0.151,  -0.208)  ( -0.034,   0.151,  -0.208)  ( 0.00,  0.00,  0.00)
162: 20       ( 90.303,  55.220,  37.006)  ( 90.306,  55.226,  37.017)  ( 0.00,  0.01,  0.03)
162:     bond    (  0.943,  37.503,  57.728)  (  0.944,  37.507,  57.738)  ( 0.03,  0.01,  0.02)
162:     angle   ( 87.895,  16.775, -12.335)  ( 87.898,  16.776, -12.334)  ( 0.00,  0.01,  0.01)
162:     torsion (  0.010,   0.212,  -0.138)  (  0.010,   0.212,  -0.138)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.240,   0.796,  -8.184)  (  1.240,   0.796,  -8.184)  ( 0.02,  0.00,  0.00)
162:     electro (  0.215,  -0.065,  -0.065)  (  0.215,  -0.065,  -0.065)  ( 0.00,  0.00,  0.00)
162: 21       (-63.090, -43.510, -52.283)  (-63.085, -43.498, -52.281)  ( 0.01,  0.03,  0.00)
162:     bond    (-21.882, -53.796,   9.267)  (-21.880, -53.784,   9.268)  ( 0.01,  0.02,  0.01)
162:     angle   (-42.282,   6.801, -60.352)  (-42.280,   6.801, -60.350)  ( 0.01,  0.01,  0.00)
162:     torsion (  0.135,   0.242,   1.726)  (  0.135,   0.242,   1.726)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.898,   3.181,  -2.868)  (  0.899,   3.181,  -2.868)  ( 0.02,  0.00,  0.00)
162:     electro (  0.041,   0.062,  -0.056)  (  0.041,   0.062,  -0.056)  ( 0.00,  0.00,  0.00)
162: 22       (-26.831, -85.474, -162.750)  (-26.818, -85.471, -162.747)  ( 0.05,  0.00,  0.00)
162:     bond    ( 48.229, -13.904, -17.372)  ( 48.241, -13.903, -17.370)  ( 0.02,  0.01,  0.01)
162:     angle   (-75.013, -75.597, -147.824)  (-75.012, -75.596, -147.822)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.039,   0.436,  -0.240)  (  0.039,   0.436,  -0.240)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.104,   3.478,   2.557)  ( -0.104,   3.478,   2.557)  ( 0.00,  0.00,  0.00)
162:     electro (  0.018,   0.113,   0.128)  (  0.018,   0.113,   0.128)  ( 0.00,  0.00,  0.00)
162: 23       ( 33.747, -52.410, -106.699)  ( 33.750, -52.404, -106.689)  ( 0.01,  0.01,  0.01)
162:     bond    (-16.946,  27.100, -50.783)  (-16.944,  27.103, -50.773)  ( 0.01,  0.01,  0.02)
162:     angle   ( 51.568, -82.556, -61.278)  ( 51.570, -82.553, -61.278)  ( 0.00,  0.00,  0.00)
162:     torsion ( -0.261,  -0.133,   0.016)  ( -0.261,  -0.133,   0.016)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.764,   3.067,   5.256)  ( -0.764,   3.067,   5.256)  ( 0.00,  0.00,  0.00)
162:     electro (  0.149,   0.111,   0.090)  (  0.149,   0.111,   0.090)  ( 0.00,  0.00,  0.00)
162: 24       ( 49.461, -53.866, -118.082)  ( 49.465, -53.854, -118.079)  ( 0.01,  0.02,  0.00)
162:     bond    (-19.199, -42.597,  -7.004)  (-19.197, -42.585,  -7.004)  ( 0.01,  0.03,  0.01)
162:     angle   ( 70.070, -12.969, -113.206)  ( 70.072, -12.969, -113.204)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.095,  -0.051,   0.051)  (  0.095,  -0.051,   0.051)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.554,   1.700,   1.922)  ( -1.554,   1.700,   1.922)  ( 0.00,  0.00,  0.00)
162:     electro (  0.049,   0.051,   0.155)  (  0.049,   0.051,   0.155)  ( 0.00,  0.00,  0.00)
162: 25       (-25.952,  20.240,  -3.550)  (-25.947,  20.250,  -3.547)  ( 0.02,  0.05,  0.09)
162:     bond    (  1.906,   3.328,  -1.859)  (  1.909,   3.337,  -1.856)  ( 0.15,  0.26,  0.15)
162:     angle   (-23.590,   6.922, -11.820)  (-23.588,   6.923, -11.820)  ( 0.01,  0.01,  0.00)
162:     torsion ( -5.397,  12.560,  17.032)  ( -5.397,  12.561,  17.032)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.943,  -3.058,  -6.468)  ( -0.943,  -3.058,  -6.468)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.851,   0.130,  -0.420)  (  1.851,   0.130,  -0.420)  ( 0.00,  0.00,  0.00)
162:     electro (  0.220,   0.357,  -0.016)  (  0.220,   0.357,  -0.016)  ( 0.00,  0.00,  0.00)
162: 26       ( 48.248, -41.655, -49.930)  ( 48.259, -41.652, -49.928)  ( 0.02,  0.01,  0.00)
162:     bond    (  9.516,   2.414,   4.595)  (  9.527,   2.415,   4.598)  ( 0.12,  0.03,  0.06)
162:     angle   ( -4.786, -23.109,  22.053)  ( -4.786, -23.107,  22.054)  ( 0.00,  0.01,  0.00)
162:     torsion ( 38.058, -14.848, -71.060)  ( 38.058, -14.848, -71.061)  ( 0.00,  0.00,  0.00)
162:     oop     (  4.587,  -5.572,  -6.578)  (  4.587,  -5.572,  -6.578)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.374,  -0.651,   0.336)  (  0.374,  -0.651,   0.336)  ( 0.00,  0.00,  0.00)
162:     electro (  0.499,   0.111,   0.724)  (  0.499,   0.111,   0.724)  ( 0.00,  0.00,  0.00)
162: 27       (-40.977,   7.509,  19.060)  (-40.974,   7.509,  19.074)  ( 0.01,  0.00,  0.07)
162:     bond    (  1.028,  -0.156,   4.309)  (  1.029,  -0.156,   4.323)  ( 0.07,  0.00,  0.32)
162:     angle   (-13.326,  32.552,   4.350)  (-13.325,  32.553,   4.350)  ( 0.01,  0.00,  0.00)
162:     torsion (-20.425, -20.126,   4.133)  (-20.425, -20.127,   4.133)  ( 0.00,  0.00,  0.00)
162:     oop     ( -8.448,  -5.700,   1.805)  ( -8.448,  -5.700,   1.805)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.589,   1.362,   3.138)  ( -0.589,   1.362,   3.138)  ( 0.00,  0.00,  0.00)
162:     electro (  0.783,  -0.423,   1.325)  (  0.783,  -0.423,   1.325)  ( 0.00,  0.00,  0.00)
162: 28       (-97.293, 158.369, -77.769)  (-97.282, 158.372, -77.764)  ( 0.01,  0.00,  0.01)
162:     bond    ( -9.367,  -1.702,   6.347)  ( -9.357,  -1.702,   6.352)  ( 0.10,  0.02,  0.07)
162:     angle   (-80.364, 143.566, -79.911)  (-80.363, 143.569, -79.911)  ( 0.00,  0.00,  0.00)
162:     torsion ( -6.084,  24.848,  -2.304)  ( -6.084,  24.848,  -2.303)  ( 0.00,  0.00,  0.01)
162:     oop     ( -2.651,  -5.664,  -5.423)  ( -2.651,  -5.664,  -5.423)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.654,  -3.117,   3.458)  (  1.654,  -3.117,   3.458)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.480,   0.438,   0.064)  ( -0.480,   0.438,   0.064)  ( 0.00,  0.00,  0.00)
162: 29       ( 46.424,  30.854,  66.418)  ( 46.435,  30.860,  66.421)  ( 0.02,  0.02,  0.00)
162:     bond    ( 61.542,  36.037,   8.889)  ( 61.552,  36.041,   8.890)  ( 0.02,  0.01,  0.01)
162:     angle   (-12.493,   3.768,  71.212)  (-12.492,   3.770,  71.214)  ( 0.01,  0.05,  0.00)
162:     torsion (  0.930,  -1.144,  -1.798)  (  0.930,  -1.144,  -1.798)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.446,  -8.200, -12.840)  ( -4.446,  -8.199, -12.840)  ( 0.00,  0.00,  0.00)
162:     electro (  0.892,   0.393,   0.955)  (  0.892,   0.393,   0.955)  ( 0.00,  0.00,  0.00)
162: 30       (-48.239,  25.591, 117.949)  (-48.237,  25.605, 117.952)  ( 0.00,  0.05,  0.00)
162:     bond    ( -6.792,  53.013,   9.932)  ( -6.792,  53.026,   9.933)  ( 0.01,  0.03,  0.01)
162:     angle   (-43.464, -26.225, 110.281)  (-43.462, -26.225, 110.283)  ( 0.00,  0.00,  0.00)
162:     torsion (  1.154,   0.032,   0.620)  (  1.154,   0.032,   0.620)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.846,  -1.353,  -3.547)  (  0.846,  -1.353,  -3.547)  ( 0.00,  0.00,  0.00)
162:     electro (  0.017,   0.124,   0.662)  (  0.017,   0.124,   0.662)  ( 0.00,  0.00,  0.00)
162: 31       (-56.565,  43.312, 101.137)  (-56.560,  43.315, 101.148)  ( 0.01,  0.01,  0.01)
162:     bond    ( 23.742, -12.645,  46.900)  ( 23.745, -12.644,  46.910)  ( 0.01,  0.01,  0.02)
162:     angle   (-81.124,  57.327,  56.513)  (-81.122,  57.329,  56.514)  ( 0.00,  0.00,  0.00)
162:     torsion ( -0.177,  -0.309,   0.007)  ( -0.177,  -0.309,   0.007)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.958,  -1.189,  -2.767)  (  0.958,  -1.189,  -2.767)  ( 0.00,  0.00,  0.00)
162:     electro (  0.037,   0.127,   0.484)  (  0.037,   0.127,   0.484)  ( 0.00,  0.00,  0.00)
162: 32       (-45.479,  41.742, 115.912)  (-45.466,  41.746, 115.915)  ( 0.03,  0.01,  0.00)
162:     bond    (-49.033, -17.444,  10.722)  (-49.021, -17.442,  10.722)  ( 0.02,  0.01,  0.01)
162:     angle   (  2.327,  59.493, 107.416)  (  2.327,  59.495, 107.418)  ( 0.01,  0.00,  0.00)
162:     torsion ( -0.160,   0.329,  -0.198)  ( -0.160,   0.329,  -0.198)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.559,  -0.627,  -2.586)  (  1.559,  -0.627,  -2.586)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.172,  -0.008,   0.558)  ( -0.172,  -0.008,   0.558)  ( 0.00,  0.00,  0.00)
162: 33       (293.648, -251.208, -276.812)  (293.638, -251.194, -276.821)  ( 0.00,  0.01,  0.00)
162:     bond    ( -6.169, -16.241,   7.214)  ( -6.167, -16.229,   7.216)  ( 0.03,  0.07,  0.03)
162:     angle   (299.894, -238.899, -280.972)  (299.888, -238.896, -280.978)  ( 0.00,  0.00,  0.00)
162:     torsion ( -4.857,  -0.334,  -4.901)  ( -4.862,  -0.334,  -4.905)  ( 0.10,  0.00,  0.10)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro (  4.779,   4.265,   1.847)  (  4.779,   4.265,   1.847)  ( 0.00,  0.00,  0.00)
162: ok 30 # gradients 
162: ok 31 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       ( -3.442, -19.470,  -1.727)  ( -3.415, -19.442,  -1.701)  ( 0.78,  0.14,  1.49)
162:     bond    (-12.046,  -1.217,  -1.927)  (-12.027,  -1.199,  -1.908)  ( 0.16,  1.52,  0.97)
162:     angle   (  7.238, -12.120,   0.945)  (  7.246, -12.112,   0.952)  ( 0.11,  0.07,  0.66)
162:     torsion (  0.582,  -6.068,  -1.073)  (  0.582,  -6.068,  -1.073)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.998,   0.178,   0.421)  (  0.998,   0.178,   0.421)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.214,  -0.242,  -0.093)  ( -0.214,  -0.242,  -0.093)  ( 0.00,  0.00,  0.00)
162:  2       (245.840, -11.757,  72.267)  (245.875, -11.718,  72.276)  ( 0.01,  0.33,  0.01)
162:     bond    ( 77.690,  69.207,  45.161)  ( 77.715,  69.238,  45.167)  ( 0.03,  0.04,  0.01)
162:     angle   (172.284, -82.905,  35.928)  (172.294, -82.898,  35.930)  ( 0.01,  0.01,  0.01)
162:     torsion (  2.384,   5.248, -10.001)  (  2.384,   5.248,  -9.999)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -7.633,  -2.172,  -2.491)  ( -7.633,  -2.172,  -2.491)  ( 0.00,  0.00,  0.00)
162:     electro (  1.115,  -1.134,   3.669)  (  1.115,  -1.134,   3.669)  ( 0.00,  0.00,  0.00)
162:  3       ( -5.078,   4.446,  -6.954)  ( -5.074,   4.459,  -6.952)  ( 0.07,  0.29,  0.03)
162:     bond    (  1.459,   4.293,  -0.351)  (  1.460,   4.305,  -0.351)  ( 0.10,  0.29,  0.00)
162:     angle   ( -2.925,   0.321,  -8.216)  ( -2.923,   0.322,  -8.214)  ( 0.07,  0.01,  0.03)
162:     torsion ( -0.484,   0.301,   1.681)  ( -0.484,   0.301,   1.681)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.960,  -0.223,  -0.119)  ( -3.960,  -0.223,  -0.119)  ( 0.00,  0.00,  0.00)
162:     electro (  0.833,  -0.247,   0.052)  (  0.833,  -0.247,   0.052)  ( 0.00,  0.00,  0.00)
162:  4       (  0.711,   2.002,  -4.913)  (  0.717,   2.008,  -4.907)  ( 0.45,  0.30,  0.13)
162:     bond    (  2.553,  -2.568,  -2.673)  (  2.558,  -2.564,  -2.668)  ( 0.18,  0.18,  0.19)
162:     angle   (  6.931,   6.816,   0.094)  (  6.933,   6.818,   0.096)  ( 0.02,  0.02,  0.01)
162:     torsion (  0.207,   1.182,  -0.937)  (  0.207,   1.182,  -0.937)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -8.964,  -2.417,  -1.160)  ( -8.963,  -2.417,  -1.160)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.017,  -1.011,  -0.237)  ( -0.017,  -1.011,  -0.237)  ( 0.00,  0.00,  0.00)
162:  5       ( -9.656,  -0.763,   3.225)  ( -9.654,  -0.760,   3.238)  ( 0.03,  0.25,  0.40)
162:     bond    (  0.268,  -0.904,   2.749)  (  0.268,  -0.902,   2.762)  ( 0.00,  0.12,  0.46)
162:     angle   ( -8.963,  -2.205,   0.150)  ( -8.960,  -2.203,   0.150)  ( 0.03,  0.08,  0.00)
162:     torsion ( -0.431,   3.040,   1.035)  ( -0.431,   3.040,   1.035)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.944,  -0.045,  -0.815)  ( -0.944,  -0.045,  -0.815)  ( 0.00,  0.00,  0.00)
162:     electro (  0.413,  -0.650,   0.106)  (  0.413,  -0.650,   0.106)  ( 0.00,  0.00,  0.00)
162:  6       (-36.959,  41.759,  10.918)  (-36.945,  41.776,  10.920)  ( 0.04,  0.04,  0.02)
162:     bond    (-35.916,  42.475,   9.669)  (-35.905,  42.491,   9.670)  ( 0.03,  0.04,  0.01)
162:     angle   ( 17.939,  12.987,   9.543)  ( 17.941,  12.988,   9.543)  ( 0.01,  0.01,  0.01)
162:     torsion ( -0.378,  -0.725,   1.780)  ( -0.378,  -0.725,   1.781)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-18.582, -23.931,  -9.878)  (-18.581, -23.931,  -9.877)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.021,  10.953,  -0.197)  ( -0.021,  10.953,  -0.197)  ( 0.00,  0.00,  0.00)
162:  7       (-199.429, 120.899, -77.246)  (-199.398, 120.930, -77.238)  ( 0.02,  0.03,  0.01)
162:     bond    ( 13.550, -89.413, -25.470)  ( 13.572, -89.390, -25.463)  ( 0.16,  0.03,  0.03)
162:     angle   (-210.716, 213.999, -68.344)  (-210.707, 214.006, -68.343)  ( 0.00,  0.00,  0.00)
162:     torsion ( -4.940,  -8.461,  21.084)  ( -4.940,  -8.461,  21.085)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  8.003,   3.819,   1.416)  (  8.003,   3.819,   1.416)  ( 0.00,  0.00,  0.00)
162:     electro ( -5.327,   0.956,  -5.932)  ( -5.327,   0.956,  -5.932)  ( 0.00,  0.00,  0.00)
162:  8       ( 17.829,  -6.420,  -8.233)  ( 17.839,  -6.411,  -8.232)  ( 0.06,  0.14,  0.02)
162:     bond    ( 11.126, -10.112,  -2.792)  ( 11.135, -10.104,  -2.792)  ( 0.08,  0.07,  0.02)
162:     angle   (  2.321,   2.490,   0.248)  (  2.323,   2.491,   0.248)  ( 0.07,  0.06,  0.02)
162:     torsion (  1.088,   3.350,  -7.788)  (  1.088,   3.350,  -7.788)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.125,  -0.148,  -0.002)  (  0.125,  -0.148,  -0.002)  ( 0.00,  0.00,  0.00)
162:     electro (  3.169,  -2.000,   2.101)  (  3.169,  -2.000,   2.101)  ( 0.00,  0.00,  0.00)
162:  9       (225.116, -321.223, 133.735)  (225.145, -321.196, 133.756)  ( 0.01,  0.01,  0.02)
162:     bond    ( -7.634, -53.638,  -8.757)  ( -7.613, -53.619,  -8.744)  ( 0.28,  0.04,  0.15)
162:     angle   (237.812, -267.792, 150.866)  (237.821, -267.785, 150.875)  ( 0.00,  0.00,  0.01)
162:     torsion ( -4.970,  -6.735, -10.679)  ( -4.970,  -6.735, -10.679)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.986,   8.543,   3.971)  (  1.986,   8.543,   3.971)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.078,  -1.601,  -1.667)  ( -2.078,  -1.601,  -1.667)  ( 0.00,  0.00,  0.00)
162: 10       ( 18.528, 116.935, -222.952)  ( 18.546, 116.955, -222.926)  ( 0.10,  0.02,  0.01)
162:     bond    (  2.883,  25.720,  65.467)  (  2.898,  25.734,  65.488)  ( 0.52,  0.05,  0.03)
162:     angle   (  6.976,  87.919, -281.200)  (  6.979,  87.924, -281.195)  ( 0.04,  0.01,  0.00)
162:     torsion ( -3.682,  -6.591, -12.371)  ( -3.682,  -6.591, -12.372)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.215,  13.749,   3.629)  ( 13.216,  13.749,   3.630)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.864,  -3.861,   1.523)  ( -0.864,  -3.861,   1.523)  ( 0.00,  0.00,  0.00)
162: 11       (-263.679, 218.198,  51.373)  (-263.650, 218.212,  51.399)  ( 0.01,  0.01,  0.05)
162:     bond    (-86.760,  50.952,  24.119)  (-86.735,  50.959,  24.136)  ( 0.03,  0.01,  0.07)
162:     angle   (-183.958, 105.187,  32.275)  (-183.954, 105.194,  32.283)  ( 0.00,  0.01,  0.03)
162:     torsion ( 11.442,  45.536, -10.233)  ( 11.442,  45.536, -10.232)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.258,   8.635,   3.973)  ( -4.258,   8.635,   3.973)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.145,   7.888,   1.239)  ( -0.145,   7.888,   1.239)  ( 0.00,  0.00,  0.00)
162: 12       ( 33.659, -29.203, -13.271)  ( 33.660, -29.198, -13.260)  ( 0.00,  0.02,  0.08)
162:     bond    ( -2.965, -10.550, -17.782)  ( -2.964, -10.546, -17.773)  ( 0.01,  0.03,  0.06)
162:     angle   ( 29.381, -16.906,   5.130)  ( 29.382, -16.904,   5.130)  ( 0.00,  0.01,  0.01)
162:     torsion (  2.468,  -2.830,   1.267)  (  2.468,  -2.830,   1.267)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.831,   3.273,  -1.575)  (  6.831,   3.273,  -1.575)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.057,  -2.191,  -0.311)  ( -2.057,  -2.191,  -0.311)  ( 0.00,  0.00,  0.00)
162: 13       ( 34.183, -87.299,  25.278)  ( 34.193, -87.289,  25.282)  ( 0.03,  0.01,  0.02)
162:     bond    ( 19.364, -72.216,  32.658)  ( 19.373, -72.208,  32.660)  ( 0.05,  0.01,  0.01)
162:     angle   ( 19.573, -26.239, -15.673)  ( 19.574, -26.237, -15.671)  ( 0.01,  0.01,  0.01)
162:     torsion ( -2.281,   5.380,  13.128)  ( -2.280,   5.380,  13.128)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.612,   3.838,  -4.037)  ( -2.611,   3.839,  -4.037)  ( 0.01,  0.00,  0.00)
162:     electro (  0.138,   1.937,  -0.798)  (  0.138,   1.937,  -0.798)  ( 0.00,  0.00,  0.00)
162: 14       (-146.962, -31.735,  70.658)  (-146.940, -31.723,  70.705)  ( 0.02,  0.04,  0.07)
162:     bond    ( 62.265,   2.720, -105.238)  ( 62.280,   2.728, -105.200)  ( 0.02,  0.27,  0.04)
162:     angle   (-199.845, -11.711, 169.340)  (-199.837, -11.707, 169.347)  ( 0.00,  0.04,  0.00)
162:     torsion ( -3.423, -15.710,   3.976)  ( -3.423, -15.710,   3.976)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -9.752,  -0.703,   4.859)  ( -9.752,  -0.703,   4.859)  ( 0.00,  0.00,  0.00)
162:     electro (  3.792,  -6.331,  -2.278)  (  3.792,  -6.331,  -2.278)  ( 0.00,  0.00,  0.00)
162: 15       ( 26.723,  -0.726, -10.858)  ( 26.726,  -0.714, -10.856)  ( 0.01,  0.94,  0.03)
162:     bond    ( -0.092,  -2.399,  -0.719)  ( -0.092,  -2.387,  -0.718)  ( 0.00,  0.53,  0.08)
162:     angle   ( 27.753,   2.469, -11.756)  ( 27.757,   2.469, -11.754)  ( 0.01,  0.01,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.584,   0.797,   0.768)  ( -2.584,   0.797,   0.768)  ( 0.00,  0.00,  0.00)
162:     electro (  1.645,  -1.594,   0.848)  (  1.645,  -1.594,   0.848)  ( 0.00,  0.00,  0.00)
162: 16       ( 62.434, -27.811,  26.947)  ( 62.438, -27.810,  26.973)  ( 0.01,  0.01,  0.10)
162:     bond    ( -3.261,  -2.027,  15.582)  ( -3.260,  -2.027,  15.608)  ( 0.03,  0.02,  0.16)
162:     angle   ( 64.819, -38.061,   8.596)  ( 64.821, -38.059,   8.596)  ( 0.00,  0.00,  0.00)
162:     torsion (  5.845,  10.205,   2.546)  (  5.845,  10.205,   2.546)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -9.040,  -0.891,   3.300)  ( -9.040,  -0.891,   3.300)  ( 0.00,  0.00,  0.00)
162:     electro (  4.070,   2.963,  -3.077)  (  4.070,   2.963,  -3.077)  ( 0.00,  0.00,  0.00)
162: 17       (-111.712, 155.037, -72.705)  (-111.687, 155.062, -72.679)  ( 0.02,  0.02,  0.03)
162:     bond    (-61.202,  38.262, -28.857)  (-61.186,  38.277, -28.840)  ( 0.03,  0.04,  0.06)
162:     angle   (-47.834, 110.585, -38.924)  (-47.825, 110.594, -38.915)  ( 0.02,  0.01,  0.02)
162:     torsion ( -2.088,   4.781,  -3.597)  ( -2.087,   4.781,  -3.597)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.438,   2.373,  -2.058)  ( -0.438,   2.373,  -2.058)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.150,  -0.964,   0.730)  ( -0.150,  -0.964,   0.730)  ( 0.00,  0.00,  0.00)
162: 18       ( 13.365, -88.460, -15.407)  ( 13.393, -88.432, -15.379)  ( 0.21,  0.03,  0.18)
162:     bond    ( 23.033, -22.454,  19.510)  ( 23.051, -22.435,  19.528)  ( 0.08,  0.08,  0.10)
162:     angle   ( -6.494, -32.659, -49.288)  ( -6.485, -32.649, -49.279)  ( 0.14,  0.03,  0.02)
162:     torsion ( -0.656, -30.683,  14.655)  ( -0.656, -30.683,  14.655)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.375,  -3.297,  -0.779)  (  2.376,  -3.297,  -0.779)  ( 0.01,  0.00,  0.01)
162:     electro ( -4.893,   0.633,   0.495)  ( -4.893,   0.633,   0.495)  ( 0.00,  0.00,  0.00)
162: 19       ( 47.130, -64.556, -23.523)  ( 47.157, -64.529, -23.496)  ( 0.06,  0.04,  0.11)
162:     bond    (  6.702,  -5.903, -10.312)  (  6.720,  -5.885, -10.294)  ( 0.28,  0.31,  0.18)
162:     angle   ( 35.929, -62.760,   8.488)  ( 35.937, -62.752,   8.496)  ( 0.02,  0.01,  0.09)
162:     torsion ( -4.275,  -1.779,  -0.880)  ( -4.275,  -1.779,  -0.880)  ( 0.00,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  8.580,   4.470, -19.699)  (  8.580,   4.470, -19.698)  ( 0.00,  0.00,  0.00)
162:     electro (  0.194,   1.417,  -1.119)  (  0.194,   1.417,  -1.119)  ( 0.00,  0.00,  0.00)
162: 20       ( 66.259,   1.063,  44.559)  ( 66.286,   1.090,  44.586)  ( 0.04,  2.51,  0.06)
162:     bond    ( 16.923,  12.912,  10.627)  ( 16.941,  12.930,  10.646)  ( 0.11,  0.14,  0.17)
162:     angle   ( 41.049, -17.605,  36.677)  ( 41.058, -17.597,  36.685)  ( 0.02,  0.04,  0.02)
162:     torsion (  4.433,  -3.963,  -2.662)  (  4.433,  -3.963,  -2.662)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.881,   8.342,   0.937)  (  3.882,   8.343,   0.937)  ( 0.00,  0.00,  0.01)
162:     electro ( -0.028,   1.377,  -1.020)  ( -0.028,   1.377,  -1.020)  ( 0.00,  0.00,  0.00)
162: 21       (161.649, -26.573, 179.307)  (161.666, -26.533, 179.332)  ( 0.01,  0.15,  0.01)
162:     bond    ( 94.358,  10.667, 108.046)  ( 94.370,  10.699, 108.064)  ( 0.01,  0.30,  0.02)
162:     angle   ( 77.084, -26.454,  48.484)  ( 77.089, -26.445,  48.490)  ( 0.01,  0.03,  0.01)
162:     torsion (  4.284,   1.677,  -0.546)  (  4.284,   1.677,  -0.545)  ( 0.01,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -9.887, -10.429,  18.556)  ( -9.887, -10.429,  18.557)  ( 0.00,  0.00,  0.00)
162:     electro ( -4.190,  -2.034,   4.766)  ( -4.190,  -2.034,   4.766)  ( 0.00,  0.00,  0.00)
162: 22       ( 16.326,  -2.093, -12.862)  ( 16.329,  -2.087, -12.851)  ( 0.02,  0.27,  0.09)
162:     bond    (  1.374,  -9.398, -16.143)  (  1.374,  -9.395, -16.132)  ( 0.01,  0.04,  0.06)
162:     angle   ( 13.409,   3.381,  -0.828)  ( 13.411,   3.383,  -0.828)  ( 0.02,  0.06,  0.05)
162:     torsion ( -2.701,   3.135,  -2.055)  ( -2.701,   3.135,  -2.056)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.563,   3.317,   4.624)  (  4.564,   3.317,   4.624)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.319,  -2.527,   1.540)  ( -0.319,  -2.527,   1.540)  ( 0.00,  0.00,  0.00)
162: 23       (-128.902, -31.257, -143.473)  (-128.891, -31.236, -143.459)  ( 0.01,  0.07,  0.01)
162:     bond    (-109.862, -24.952, -130.010)  (-109.852, -24.937, -129.998)  ( 0.01,  0.06,  0.01)
162:     angle   (-20.264,   1.010, -19.757)  (-20.263,   1.015, -19.755)  ( 0.00,  0.53,  0.01)
162:     torsion ( -4.483,  -0.658,   3.897)  ( -4.482,  -0.658,   3.897)  ( 0.01,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.898,  -9.446,   3.735)  (  1.898,  -9.445,   3.735)  ( 0.00,  0.00,  0.00)
162:     electro (  3.808,   2.789,  -1.338)  (  3.808,   2.789,  -1.338)  ( 0.00,  0.00,  0.00)
162: 24       ( -8.341,   2.414,  -5.418)  ( -8.334,   2.421,  -5.413)  ( 0.09,  0.30,  0.08)
162:     bond    ( -6.765,   6.691,  -4.681)  ( -6.759,   6.697,  -4.679)  ( 0.09,  0.08,  0.06)
162:     angle   ( -5.987,  -8.347,  -3.300)  ( -5.986,  -8.345,  -3.298)  ( 0.02,  0.02,  0.05)
162:     torsion ( -0.111,   0.005,   0.168)  ( -0.111,   0.005,   0.168)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.529,   4.505,   1.876)  (  4.529,   4.505,   1.876)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.007,  -0.441,   0.519)  ( -0.007,  -0.441,   0.519)  ( 0.00,  0.00,  0.00)
162: 25       (-13.180,  -6.027,   0.187)  (-13.174,  -6.021,   0.194)  ( 0.04,  0.10,  0.14)
162:     bond    ( -6.492,  -6.842,   7.764)  ( -6.488,  -6.838,   7.769)  ( 0.06,  0.07,  0.07)
162:     angle   (-10.193,  -2.422, -10.642)  (-10.192,  -2.420, -10.641)  ( 0.01,  0.06,  0.01)
162:     torsion (  0.015,  -0.018,  -0.004)  (  0.015,  -0.018,  -0.004)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.489,   3.271,   2.934)  (  3.489,   3.271,   2.934)  ( 0.00,  0.00,  0.00)
162:     electro (  0.001,  -0.016,   0.136)  (  0.001,  -0.016,   0.136)  ( 0.00,  0.00,  0.00)
162: 26       ( -6.072,  -6.676, -11.912)  ( -6.068,  -6.669, -11.903)  ( 0.07,  0.10,  0.07)
162:     bond    (  4.340,  -7.274,  -8.578)  (  4.342,  -7.268,  -8.571)  ( 0.04,  0.07,  0.08)
162:     angle   (-14.802,  -2.793,  -5.131)  (-14.800,  -2.791,  -5.130)  ( 0.01,  0.05,  0.02)
162:     torsion ( -0.025,   0.231,  -0.209)  ( -0.025,   0.231,  -0.209)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.175,   3.216,   1.878)  (  4.175,   3.216,   1.878)  ( 0.00,  0.00,  0.00)
162:     electro (  0.239,  -0.056,   0.129)  (  0.239,  -0.056,   0.129)  ( 0.00,  0.00,  0.00)
162: 27       ( -7.930,   6.898,   0.377)  ( -7.923,   6.906,   0.381)  ( 0.10,  0.11,  0.16)
162:     bond    ( -7.674,   7.398,  -4.124)  ( -7.668,   7.404,  -4.122)  ( 0.08,  0.08,  0.05)
162:     angle   ( -4.404,   2.474,  12.635)  ( -4.403,   2.475,  12.637)  ( 0.02,  0.05,  0.02)
162:     torsion ( -0.939,  -0.873,   0.177)  ( -0.939,  -0.873,   0.177)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.164,  -1.720,  -8.316)  (  5.164,  -1.720,  -8.316)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.077,  -0.380,   0.004)  ( -0.077,  -0.380,   0.004)  ( 0.00,  0.00,  0.00)
162: 28       ( -1.673,  11.278,   8.469)  ( -1.664,  11.283,   8.474)  ( 0.50,  0.05,  0.06)
162:     bond    (  7.443,   5.640,   5.085)  (  7.450,   5.644,   5.088)  ( 0.09,  0.07,  0.06)
162:     angle   (-12.872,   8.560,   9.347)  (-12.871,   8.561,   9.348)  ( 0.01,  0.02,  0.02)
162:     torsion ( -0.163,   0.947,  -0.812)  ( -0.163,   0.947,  -0.812)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.057,  -3.384,  -5.345)  (  4.057,  -3.384,  -5.345)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.138,  -0.486,   0.195)  ( -0.138,  -0.486,   0.195)  ( 0.00,  0.00,  0.00)
162: 29       (-11.864,   1.706,  10.277)  (-11.860,   1.712,  10.285)  ( 0.04,  0.36,  0.08)
162:     bond    ( -6.333,  -7.421,   8.992)  ( -6.330,  -7.416,   8.999)  ( 0.05,  0.06,  0.07)
162:     angle   ( -7.898,  12.822,   5.013)  ( -7.897,  12.824,   5.014)  ( 0.02,  0.01,  0.02)
162:     torsion (  0.783,  -0.088,   0.479)  (  0.783,  -0.088,   0.479)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.664,  -3.431,  -4.196)  (  1.664,  -3.431,  -4.196)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.080,  -0.176,  -0.010)  ( -0.080,  -0.176,  -0.010)  ( 0.00,  0.00,  0.00)
162: 30       (  7.091,  27.558,   8.407)  (  7.093,  27.573,   8.409)  ( 0.03,  0.05,  0.02)
162:     bond    ( -5.489,  23.059,  -2.986)  ( -5.488,  23.073,  -2.985)  ( 0.02,  0.06,  0.01)
162:     angle   ( 17.936,   7.069,  21.658)  ( 17.937,   7.069,  21.659)  ( 0.01,  0.00,  0.01)
162:     torsion (  3.204,   0.402,  -2.785)  (  3.204,   0.402,  -2.785)  ( 0.01,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -8.559,  -2.971,  -7.481)  ( -8.559,  -2.971,  -7.481)  ( 0.00,  0.00,  0.00)
162: 31       (-22.391,  51.361, -14.964)  (-22.388,  51.382, -14.956)  ( 0.01,  0.04,  0.05)
162:     bond    (  6.860,  28.919,  15.644)  (  6.861,  28.939,  15.650)  ( 0.02,  0.07,  0.04)
162:     angle   (-41.399,  32.772, -42.455)  (-41.398,  32.773, -42.454)  ( 0.00,  0.00,  0.00)
162:     torsion ( -0.709,  -0.239,   0.753)  ( -0.709,  -0.239,   0.753)  ( 0.01,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.115, -10.092,   3.590)  (  3.115, -10.092,   3.590)  ( 0.00,  0.00,  0.00)
162:     electro (  9.743,   0.001,   7.505)  (  9.743,   0.001,   7.505)  ( 0.00,  0.00,  0.00)
162: ok 32 # gradients 
162: ok 33 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (  9.939,  -1.844,   0.003)  (  9.975,  -1.828,   0.032)  ( 0.36,  0.87,  0.01)
162:     bond    (  3.343,  -0.578,   0.071)  (  3.368,  -0.569,   0.092)  ( 0.74,  0.55,  0.15)
162:     angle   ( 31.094,  -5.861,  -0.074)  ( 31.105,  -5.859,  -0.069)  ( 0.03,  0.05,  0.04)
162:     torsion (  0.003,   0.006,  -0.008)  (  0.003,   0.010,  -0.007)  ( 0.00,  0.00,  0.00)
162:     oop     (  0.000,   0.002,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
162:     vdw     (-23.368,   4.375,   0.016)  (-23.367,   4.375,   0.016)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.134,   0.212,   0.001)  ( -1.134,   0.212,   0.001)  ( 0.00,  0.00,  0.00)
162:  2       ( 28.160,   0.299,   9.627)  ( 28.197,   0.315,   9.655)  ( 0.13,  0.47,  0.29)
162:     bond    ( 65.349, -12.154,   0.347)  ( 65.377, -12.146,   0.365)  ( 0.04,  0.07,  0.64)
162:     angle   (-20.964,   1.627,  -3.468)  (-20.956,   1.630,  -3.461)  ( 0.04,  0.21,  0.21)
162:     torsion ( -0.099,  -0.520,   0.342)  ( -0.099,  -0.517,   0.343)  ( 0.00,  0.18,  0.05)
162:     oop     ( -0.006,  -0.032,   0.021)  ( -0.006,  -0.031,   0.021)  ( 0.00,  0.00,  0.00)
162:     vdw     (-14.566,  12.237,  14.094)  (-14.566,  12.237,  14.095)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.554,  -0.858,  -1.709)  ( -1.554,  -0.858,  -1.709)  ( 0.00,  0.00,  0.00)
162:  3       (-45.505, -25.091, -54.783)  (-45.469, -25.075, -54.756)  ( 0.08,  0.06,  0.05)
162:     bond    (-27.912, -50.685, -84.497)  (-27.885, -50.676, -84.479)  ( 0.10,  0.02,  0.02)
162:     angle   (-31.895,  12.396,  11.675)  (-31.886,  12.399,  11.682)  ( 0.03,  0.03,  0.06)
162:     torsion (  0.506,   2.702,  -1.797)  (  0.507,   2.705,  -1.796)  ( 0.01,  0.12,  0.08)
162:     oop     (  0.002,   0.010,  -0.007)  (  0.002,   0.010,  -0.007)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.729,  10.503,  19.852)  ( 13.730,  10.503,  19.852)  ( 0.00,  0.00,  0.00)
162:     electro (  0.064,  -0.017,  -0.009)  (  0.064,  -0.017,  -0.009)  ( 0.00,  0.00,  0.00)
162:  4       (-100.866,  18.886,   0.220)  (-100.831,  18.902,   0.248)  ( 0.04,  0.09,  0.62)
162:     bond    (-146.522,  27.515,   0.261)  (-146.497,  27.525,   0.282)  ( 0.02,  0.03,  0.54)
162:     angle   ( 25.917,  -4.877,  -0.055)  ( 25.927,  -4.873,  -0.049)  ( 0.04,  0.08,  0.03)
162:     torsion ( -0.011,  -0.056,   0.029)  ( -0.011,  -0.053,   0.030)  ( 0.00,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 19.650,  -3.678,  -0.015)  ( 19.651,  -3.678,  -0.015)  ( 0.00,  0.00,  0.00)
162:     electro (  0.100,  -0.019,  -0.000)  (  0.100,  -0.019,  -0.000)  ( 0.00,  0.00,  0.00)
162:  5       (-33.743,  39.837,  54.381)  (-33.706,  39.853,  54.408)  ( 0.11,  0.04,  0.05)
162:     bond    ( -7.951,  57.195,  84.198)  ( -7.923,  57.203,  84.216)  ( 0.35,  0.01,  0.02)
162:     angle   (-34.355,  -0.042, -11.650)  (-34.346,  -0.038, -11.643)  ( 0.02,  0.02,  0.06)
162:     torsion ( -0.473,  -2.543,   1.684)  ( -0.473,  -2.540,   1.686)  ( 0.01,  0.12,  0.08)
162:     oop     ( -0.002,  -0.010,   0.007)  ( -0.002,  -0.010,   0.007)  ( 0.00,  0.00,  0.00)
162:     vdw     (  8.972, -14.754, -19.867)  (  8.972, -14.754, -19.866)  ( 0.00,  0.00,  0.00)
162:     electro (  0.066,  -0.008,   0.009)  (  0.066,  -0.008,   0.009)  ( 0.00,  0.00,  0.00)
162:  6       ( 26.431, -10.762,  -9.864)  ( 26.468, -10.746,  -9.836)  ( 0.14,  0.15,  0.28)
162:     bond    ( 65.571, -12.525,  -0.673)  ( 65.598, -12.516,  -0.654)  ( 0.04,  0.07,  1.25)
162:     angle   (-20.069,   6.056,   3.500)  (-20.061,   6.059,   3.507)  ( 0.04,  0.05,  0.20)
162:     torsion (  0.082,   0.448,  -0.301)  (  0.082,   0.451,  -0.299)  ( 0.00,  0.16,  0.05)
162:     oop     (  0.006,   0.030,  -0.021)  (  0.006,   0.031,  -0.020)  ( 0.00,  0.00,  0.00)
162:     vdw     (-18.022,  -6.133, -14.081)  (-18.022,  -6.133, -14.080)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.136,   1.362,   1.710)  ( -1.136,   1.362,   1.710)  ( 0.00,  0.00,  0.00)
162:  7       ( 43.541,  -7.873,  -0.219)  ( 43.576,  -7.844,  -0.204)  ( 0.08,  0.37,  0.33)
162:     bond    ( 62.966, -11.497,  -0.240)  ( 62.991, -11.476,  -0.232)  ( 0.04,  0.18,  0.18)
162:     angle   ( -8.473,   1.575,   0.022)  ( -8.463,   1.581,   0.026)  ( 0.12,  0.39,  0.01)
162:     torsion ( -0.001,  -0.004,   0.001)  ( -0.001,  -0.003,   0.004)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.001)  ( -0.000,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
162:     vdw     (-10.662,   2.000,  -0.002)  (-10.661,   2.000,  -0.001)  ( 0.01,  0.01,  0.00)
162:     electro ( -0.290,   0.054,   0.000)  ( -0.290,   0.054,   0.000)  ( 0.00,  0.00,  0.00)
162:  8       (-21.512,   8.533,  -2.211)  (-21.475,   8.561,  -2.197)  ( 0.17,  0.33,  0.64)
162:     bond    (-14.149, -11.677,   8.514)  (-14.120, -11.658,   8.521)  ( 0.20,  0.16,  0.08)
162:     angle   (  3.182, -11.624,   6.552)  (  3.190, -11.617,   6.555)  ( 0.26,  0.06,  0.04)
162:     torsion (  0.078,   0.413,   0.693)  (  0.078,   0.415,   0.697)  ( 0.00,  0.06,  0.28)
162:     oop     ( -0.001,  -0.006,  -0.011)  ( -0.001,  -0.006,  -0.010)  ( 0.00,  0.00,  0.00)
162:     vdw     (-10.303,  31.921, -18.294)  (-10.303,  31.922, -18.294)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.319,  -0.494,   0.334)  ( -0.319,  -0.494,   0.334)  ( 0.00,  0.00,  0.00)
162:  9       ( 48.973,   3.976,  -7.897)  ( 49.009,   4.004,  -7.883)  ( 0.08,  0.71,  0.17)
162:     bond    ( 14.699, -28.406,  15.232)  ( 14.727, -28.387,  15.238)  ( 0.19,  0.07,  0.04)
162:     angle   ( 10.705,   7.865,  -5.884)  ( 10.713,   7.872,  -5.882)  ( 0.07,  0.09,  0.04)
162:     torsion ( -0.002,  -0.014,  -0.025)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.01)
162:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 23.330,  24.333, -17.077)  ( 23.331,  24.334, -17.077)  ( 0.00,  0.00,  0.00)
162:     electro (  0.241,   0.197,  -0.145)  (  0.241,   0.197,  -0.145)  ( 0.00,  0.00,  0.00)
162: 10       (-17.572,   3.303,   0.003)  (-17.551,   3.326,   0.014)  ( 0.12,  0.71,  0.00)
162:     bond    (-30.271,   5.697,  -0.018)  (-30.260,   5.718,  -0.010)  ( 0.04,  0.37,  0.01)
162:     angle   ( -9.557,   1.759,   0.022)  ( -9.549,   1.761,   0.022)  ( 0.09,  0.08,  0.00)
162:     torsion (  0.002,   0.010,   0.016)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 24.936,  -4.665,  -0.019)  ( 24.936,  -4.665,  -0.019)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.681,   0.502,   0.002)  ( -2.681,   0.502,   0.002)  ( 0.00,  0.00,  0.00)
162: 11       ( 43.607, -21.492,   7.803)  ( 43.645, -21.465,   7.816)  ( 0.09,  0.13,  0.17)
162:     bond    ( 23.408,  21.070, -15.181)  ( 23.439,  21.088, -15.174)  ( 0.13,  0.08,  0.04)
162:     angle   (  7.071, -11.144,   5.829)  (  7.078, -11.137,   5.832)  ( 0.11,  0.07,  0.04)
162:     torsion ( -0.004,  -0.020,  -0.035)  ( -0.004,  -0.019,  -0.031)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.002,  -0.004)  ( -0.000,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 12.978, -31.126,  17.049)  ( 12.978, -31.125,  17.049)  ( 0.00,  0.00,  0.00)
162:     electro (  0.154,  -0.270,   0.145)  (  0.154,  -0.270,   0.145)  ( 0.00,  0.00,  0.00)
162: 12       (-22.333,  -0.735,   2.460)  (-22.296,  -0.706,   2.474)  ( 0.16,  2.08,  0.57)
162:     bond    ( -8.286,  15.559,  -8.353)  ( -8.259,  15.579,  -8.346)  ( 0.33,  0.13,  0.08)
162:     angle   (  7.262,   9.568,  -6.515)  (  7.270,   9.575,  -6.513)  ( 0.12,  0.07,  0.04)
162:     torsion ( -0.075,  -0.398,  -0.671)  ( -0.075,  -0.397,  -0.667)  ( 0.00,  0.06,  0.27)
162:     oop     (  0.001,   0.007,   0.012)  (  0.001,   0.008,   0.013)  ( 0.00,  0.00,  0.00)
162:     vdw     (-21.116, -26.047,  18.320)  (-21.116, -26.047,  18.321)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.119,   0.576,  -0.333)  ( -0.119,   0.576,  -0.333)  ( 0.00,  0.00,  0.00)
162: 13       ( -3.438,  -4.662,   3.047)  ( -3.431,  -4.655,   3.051)  ( 0.21,  0.17,  0.14)
162:     bond    ( -3.155,  -3.471,   2.414)  ( -3.150,  -3.464,   2.417)  ( 0.16,  0.18,  0.12)
162:     angle   ( -1.327,   0.924,  -0.402)  ( -1.325,   0.925,  -0.401)  ( 0.16,  0.10,  0.01)
162:     torsion ( -0.010,  -0.054,  -0.092)  ( -0.010,  -0.054,  -0.091)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.001,  -0.003,  -0.005)  ( -0.001,  -0.003,  -0.005)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.656,  -1.568,   0.868)  (  0.656,  -1.568,   0.868)  ( 0.00,  0.00,  0.00)
162:     electro (  0.399,  -0.490,   0.264)  (  0.399,  -0.490,   0.264)  ( 0.00,  0.00,  0.00)
162: 14       ( -1.038,  -6.052,   3.764)  ( -1.032,  -6.042,   3.767)  ( 0.51,  0.16,  0.10)
162:     bond    (  1.964,  -3.904,   2.094)  (  1.966,  -3.895,   2.096)  ( 0.12,  0.24,  0.13)
162:     angle   ( -4.094,  -1.377,   1.278)  ( -4.091,  -1.377,   1.278)  ( 0.07,  0.03,  0.02)
162:     torsion (  0.005,   0.024,   0.041)  (  0.005,   0.025,   0.041)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.289,   0.109,  -0.100)  (  0.289,   0.109,  -0.100)  ( 0.00,  0.00,  0.00)
162:     electro (  0.800,  -0.904,   0.451)  (  0.800,  -0.904,   0.451)  ( 0.00,  0.00,  0.00)
162: 15       ( 39.547,  17.387,  40.717)  ( 39.575,  17.414,  40.744)  ( 0.07,  0.15,  0.07)
162:     bond    ( 13.148,  10.036,  18.899)  ( 13.166,  10.055,  18.918)  ( 0.14,  0.19,  0.10)
162:     angle   ( 18.212,   2.244,  10.544)  ( 18.220,   2.251,  10.551)  ( 0.05,  0.30,  0.07)
162:     torsion ( -0.087,  -0.474,   0.315)  ( -0.087,  -0.473,   0.315)  ( 0.00,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  7.697,   5.765,  11.093)  (  7.697,   5.765,  11.094)  ( 0.01,  0.00,  0.00)
162:     electro (  0.577,  -0.184,  -0.134)  (  0.577,  -0.184,  -0.134)  ( 0.00,  0.00,  0.00)
162: 16       (-21.609,   4.057,   0.045)  (-21.594,   4.059,   0.048)  ( 0.07,  0.05,  0.01)
162:     bond    ( -9.567,   1.788,   0.006)  ( -9.552,   1.789,   0.006)  ( 0.15,  0.03,  0.00)
162:     angle   (  0.003,   0.018,   0.026)  (  0.004,   0.019,   0.028)  ( 0.00,  0.00,  0.01)
162:     torsion ( -0.001,  -0.005,   0.003)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -8.832,   1.655,   0.008)  ( -8.832,   1.655,   0.008)  ( 0.00,  0.01,  0.00)
162:     electro ( -3.213,   0.602,   0.002)  ( -3.213,   0.602,   0.002)  ( 0.00,  0.00,  0.00)
162: 17       (-27.099,   9.944,   6.522)  (-27.093,   9.949,   6.531)  ( 0.02,  0.05,  0.14)
162:     bond    ( -2.971,   3.963,   5.094)  ( -2.968,   3.968,   5.102)  ( 0.09,  0.12,  0.15)
162:     angle   (  5.464,   0.715,   2.624)  (  5.467,   0.715,   2.625)  ( 0.05,  0.00,  0.02)
162:     torsion ( -0.047,  -0.247,   0.164)  ( -0.047,  -0.246,   0.164)  ( 0.00,  0.01,  0.00)
162:     oop     (  0.002,   0.010,  -0.007)  (  0.002,   0.010,  -0.007)  ( 0.00,  0.00,  0.00)
162:     vdw     (-34.109,   3.803,  -5.190)  (-34.108,   3.803,  -5.190)  ( 0.00,  0.00,  0.00)
162:     electro (  4.561,   1.700,   3.837)  (  4.561,   1.700,   3.837)  ( 0.00,  0.00,  0.00)
162: 18       ( 30.504, -30.620, -40.444)  ( 30.531, -30.594, -40.417)  ( 0.09,  0.09,  0.07)
162:     bond    (  8.498, -14.006, -18.729)  (  8.516, -13.988, -18.710)  ( 0.21,  0.13,  0.10)
162:     angle   ( 16.251,  -8.841, -10.464)  ( 16.259,  -8.834, -10.457)  ( 0.05,  0.08,  0.07)
162:     torsion (  0.079,   0.420,  -0.281)  (  0.079,   0.420,  -0.280)  ( 0.00,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.071,  -8.155, -11.104)  (  5.072,  -8.155, -11.103)  ( 0.01,  0.00,  0.00)
162:     electro (  0.605,  -0.037,   0.133)  (  0.605,  -0.037,   0.133)  ( 0.00,  0.00,  0.00)
162: 19       (-28.792,   0.611,  -6.408)  (-28.783,   0.615,  -6.399)  ( 0.03,  0.21,  0.14)
162:     bond    ( -4.128,  -2.571,  -5.000)  ( -4.122,  -2.569,  -4.992)  ( 0.13,  0.08,  0.16)
162:     angle   (  4.816,  -2.635,  -2.623)  (  4.818,  -2.635,  -2.623)  ( 0.04,  0.02,  0.02)
162:     torsion (  0.046,   0.249,  -0.167)  (  0.046,   0.250,  -0.167)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.002,  -0.011,   0.007)  ( -0.002,  -0.011,   0.007)  ( 0.00,  0.00,  0.00)
162:     vdw     (-33.156,   8.814,   5.218)  (-33.155,   8.814,   5.218)  ( 0.00,  0.00,  0.00)
162:     electro (  3.632,  -3.234,  -3.843)  (  3.632,  -3.234,  -3.843)  ( 0.00,  0.00,  0.00)
162: 20       ( -1.417,   5.561,  -3.069)  ( -1.412,   5.572,  -3.065)  ( 0.32,  0.19,  0.14)
162:     bond    ( -1.679,   4.331,  -2.400)  ( -1.677,   4.341,  -2.397)  ( 0.09,  0.23,  0.13)
162:     angle   ( -1.475,  -0.360,   0.378)  ( -1.472,  -0.360,   0.379)  ( 0.21,  0.01,  0.01)
162:     torsion (  0.009,   0.049,   0.083)  (  0.009,   0.050,   0.084)  ( 0.00,  0.00,  0.01)
162:     oop     (  0.000,   0.002,   0.004)  (  0.000,   0.002,   0.004)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.178,   1.225,  -0.870)  (  1.178,   1.225,  -0.870)  ( 0.01,  0.00,  0.00)
162:     electro (  0.549,   0.313,  -0.265)  (  0.549,   0.313,  -0.265)  ( 0.00,  0.00,  0.00)
162: 21       (  1.256,   6.103,  -3.821)  (  1.264,   6.110,  -3.817)  ( 0.66,  0.11,  0.10)
162:     bond    (  3.309,   2.985,  -2.153)  (  3.315,   2.991,  -2.151)  ( 0.19,  0.17,  0.12)
162:     angle   ( -3.351,   2.788,  -1.285)  ( -3.350,   2.790,  -1.284)  ( 0.06,  0.05,  0.02)
162:     torsion ( -0.003,  -0.018,  -0.030)  ( -0.003,  -0.017,  -0.029)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.230,  -0.206,   0.099)  (  0.230,  -0.206,   0.099)  ( 0.00,  0.00,  0.00)
162:     electro (  1.072,   0.553,  -0.452)  (  1.072,   0.553,  -0.452)  ( 0.00,  0.00,  0.00)
162: 22       (  4.183,   6.263,  -8.296)  (  4.188,   6.272,  -8.290)  ( 0.12,  0.14,  0.06)
162:     bond    ( -3.539,   5.280,  -3.647)  ( -3.536,   5.287,  -3.644)  ( 0.09,  0.14,  0.10)
162:     angle   (  8.074,  -0.673,  -8.814)  (  8.075,  -0.672,  -8.812)  ( 0.02,  0.08,  0.02)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.302,   1.409,   4.011)  ( -0.302,   1.409,   4.011)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.049,   0.248,   0.155)  ( -0.049,   0.248,   0.155)  ( 0.00,  0.00,  0.00)
162: 23       (  1.760,  -9.935,   3.608)  (  1.768,  -9.928,   3.612)  ( 0.42,  0.07,  0.11)
162:     bond    ( -4.804,  -4.755,   2.671)  ( -4.798,  -4.749,   2.673)  ( 0.13,  0.13,  0.07)
162:     angle   (  6.694,  -7.578,  -1.445)  (  6.695,  -7.577,  -1.443)  ( 0.02,  0.01,  0.14)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.003,   2.330,   2.074)  ( -0.003,   2.330,   2.074)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.127,   0.067,   0.308)  ( -0.127,   0.067,   0.308)  ( 0.00,  0.00,  0.00)
162: 24       ( 19.965,  -2.748,   0.181)  ( 19.972,  -2.743,   0.189)  ( 0.03,  0.18,  0.14)
162:     bond    (  4.537,  -3.942,  -5.382)  (  4.541,  -3.938,  -5.375)  ( 0.10,  0.09,  0.12)
162:     angle   (-13.992,  -2.615,  -9.907)  (-13.990,  -2.614,  -9.906)  ( 0.01,  0.06,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 30.374,   3.599,  15.457)  ( 30.375,   3.599,  15.457)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.954,   0.210,   0.013)  ( -0.954,   0.210,   0.013)  ( 0.00,  0.00,  0.00)
162: 25       (  1.717,  -7.297,   8.165)  (  1.725,  -7.292,   8.170)  ( 0.48,  0.07,  0.06)
162:     bond    ( -5.109,  -3.600,   3.593)  ( -5.102,  -3.596,   3.596)  ( 0.14,  0.10,  0.10)
162:     angle   (  7.750,  -2.293,   8.703)  (  7.751,  -2.291,   8.705)  ( 0.01,  0.08,  0.02)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.787,  -1.191,  -3.976)  ( -0.787,  -1.191,  -3.976)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.137,  -0.213,  -0.155)  ( -0.137,  -0.213,  -0.155)  ( 0.00,  0.00,  0.00)
162: 26       ( 19.499,  -4.596,  -0.325)  ( 19.508,  -4.593,  -0.317)  ( 0.05,  0.07,  0.25)
162:     bond    (  5.574,   2.012,   5.268)  (  5.581,   2.013,   5.275)  ( 0.13,  0.05,  0.12)
162:     angle   (-12.096,   7.610,   9.892)  (-12.095,   7.612,   9.894)  ( 0.01,  0.03,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 26.986, -14.368, -15.473)  ( 26.987, -14.368, -15.473)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.965,   0.151,  -0.012)  ( -0.965,   0.151,  -0.012)  ( 0.00,  0.00,  0.00)
162: 27       (  5.268,   8.549,  -3.580)  (  5.272,   8.559,  -3.576)  ( 0.07,  0.13,  0.11)
162:     bond    ( -2.739,   6.061,  -2.633)  ( -2.737,   6.071,  -2.631)  ( 0.08,  0.17,  0.07)
162:     angle   (  9.010,   4.695,   1.457)  (  9.012,   4.695,   1.459)  ( 0.02,  0.01,  0.14)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.860,  -2.190,  -2.096)  ( -0.860,  -2.190,  -2.096)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.142,  -0.017,  -0.308)  ( -0.142,  -0.017,  -0.308)  ( 0.00,  0.00,  0.00)
162: ok 34 # gradients 
162: ok 35 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (217.209, 187.514, 330.409)  (217.234, 187.528, 330.435)  ( 0.01,  0.01,  0.01)
162:     bond    (211.685, 155.105, 283.667)  (211.703, 155.111, 283.687)  ( 0.01,  0.00,  0.01)
162:     angle   ( -3.964,  51.185,  16.965)  ( -3.958,  51.192,  16.972)  ( 0.14,  0.01,  0.04)
162:     torsion ( -2.356, -23.585,  13.663)  ( -2.356, -23.584,  13.663)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  8.690,   6.517,  14.239)  (  8.691,   6.517,  14.240)  ( 0.00,  0.00,  0.00)
162:     electro (  3.155,  -1.708,   1.874)  (  3.155,  -1.708,   1.874)  ( 0.00,  0.00,  0.00)
162:  2       (-126.283,  23.279,  78.476)  (-126.255,  23.305,  78.505)  ( 0.02,  0.11,  0.04)
162:     bond    (-83.933,  34.546,  58.541)  (-83.914,  34.565,  58.559)  ( 0.02,  0.05,  0.03)
162:     angle   (-25.194, -15.507,  -5.861)  (-25.186, -15.499,  -5.852)  ( 0.03,  0.05,  0.16)
162:     torsion ( -0.848,   3.185,   0.882)  ( -0.847,   3.186,   0.883)  ( 0.01,  0.01,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-16.236,   0.628,  23.904)  (-16.236,   0.628,  23.905)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.073,   0.426,   1.009)  ( -0.073,   0.426,   1.009)  ( 0.00,  0.00,  0.00)
162:  3       (-101.376, -91.619,  80.919)  (-101.347, -91.592,  80.946)  ( 0.03,  0.03,  0.03)
162:     bond    (-54.446, -68.193,  60.016)  (-54.428, -68.175,  60.035)  ( 0.03,  0.03,  0.03)
162:     angle   (-20.728, -10.594,   8.671)  (-20.719, -10.586,   8.679)  ( 0.04,  0.08,  0.10)
162:     torsion ( -0.882,  -2.521,  -0.598)  ( -0.882,  -2.520,  -0.598)  ( 0.04,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-25.166, -10.358,  12.532)  (-25.165, -10.358,  12.532)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.154,   0.047,   0.298)  ( -0.154,   0.047,   0.298)  ( 0.00,  0.00,  0.00)
162:  4       ( -7.587,  36.159,  -0.492)  ( -7.564,  36.172,  -0.468)  ( 0.31,  0.04,  1.21)
162:     bond    (-11.839,  36.138,  -4.064)  (-11.823,  36.143,  -4.046)  ( 0.14,  0.01,  0.44)
162:     angle   ( 17.681,  -1.428,  19.899)  ( 17.688,  -1.421,  19.905)  ( 0.03,  0.51,  0.03)
162:     torsion ( -0.986,   6.062,   0.679)  ( -0.986,   6.063,   0.679)  ( 0.02,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-11.762,  -4.223, -14.758)  (-11.761,  -4.223, -14.758)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.681,  -0.389,  -2.248)  ( -0.681,  -0.389,  -2.248)  ( 0.00,  0.00,  0.00)
162:  5       (113.406, -39.406, -104.121)  (113.433, -39.380, -104.093)  ( 0.02,  0.07,  0.03)
162:     bond    ( 80.632, -35.303, -58.525)  ( 80.651, -35.285, -58.507)  ( 0.02,  0.05,  0.03)
162:     angle   ( 14.870,  -2.308, -19.874)  ( 14.879,  -2.300, -19.865)  ( 0.06,  0.34,  0.05)
162:     torsion (  0.122,  -2.184,  -1.544)  (  0.123,  -2.184,  -1.543)  ( 0.00,  0.02,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 17.613,   0.250, -24.092)  ( 17.613,   0.250, -24.092)  ( 0.00,  0.00,  0.00)
162:     electro (  0.168,   0.139,  -0.086)  (  0.168,   0.139,  -0.086)  ( 0.00,  0.00,  0.00)
162:  6       ( 82.709,  70.383, -104.203)  ( 82.737,  70.410, -104.175)  ( 0.03,  0.04,  0.03)
162:     bond    ( 54.952,  69.597, -60.182)  ( 54.970,  69.616, -60.163)  ( 0.03,  0.03,  0.03)
162:     angle   ( -1.834,  -9.782, -31.818)  ( -1.825,  -9.774, -31.809)  ( 0.50,  0.08,  0.03)
162:     torsion (  2.726,   0.984,  -0.073)  (  2.727,   0.984,  -0.073)  ( 0.01,  0.04,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 26.430,   8.903, -12.275)  ( 26.431,   8.903, -12.275)  ( 0.00,  0.00,  0.00)
162:     electro (  0.434,   0.681,   0.145)  (  0.434,   0.681,   0.145)  ( 0.00,  0.00,  0.00)
162:  7       (-81.366, -64.293, -112.248)  (-81.339, -64.266, -112.220)  ( 0.03,  0.04,  0.02)
162:     bond    (-49.826, -55.720, -73.216)  (-49.807, -55.701, -73.197)  ( 0.04,  0.03,  0.03)
162:     angle   (-25.623,  -7.932, -31.950)  (-25.615,  -7.925, -31.942)  ( 0.03,  0.10,  0.03)
162:     torsion ( -0.025,   0.016,   0.004)  ( -0.025,   0.016,   0.004)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.002,  -0.680,  -7.188)  ( -6.002,  -0.680,  -7.188)  ( 0.00,  0.00,  0.00)
162:     electro (  0.110,   0.023,   0.102)  (  0.110,   0.023,   0.102)  ( 0.00,  0.00,  0.00)
162:  8       (-84.909, -97.294, -211.537)  (-84.886, -97.258, -211.505)  ( 0.03,  0.04,  0.02)
162:     bond    (-64.569, -159.993, -205.131)  (-64.552, -159.963, -205.104)  ( 0.03,  0.02,  0.01)
162:     angle   (-21.580,   8.756,  34.671)  (-21.575,   8.761,  34.675)  ( 0.02,  0.06,  0.01)
162:     torsion (  0.086,  52.261, -45.427)  (  0.086,  52.262, -45.427)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.392,   1.198,   4.044)  (  1.392,   1.198,   4.044)  ( 0.01,  0.01,  0.00)
162:     electro ( -0.238,   0.483,   0.307)  ( -0.238,   0.483,   0.307)  ( 0.00,  0.00,  0.00)
162:  9       ( 47.135, -20.490, -79.746)  ( 47.138, -20.486, -79.727)  ( 0.01,  0.02,  0.02)
162:     bond    ( 23.650,  25.473, -69.737)  ( 23.653,  25.475, -69.719)  ( 0.01,  0.01,  0.03)
162:     angle   (  7.691, -29.676,  -8.234)  (  7.692, -29.675,  -8.234)  ( 0.01,  0.00,  0.00)
162:     torsion ( 10.115, -17.057,  -2.801)  ( 10.114, -17.057,  -2.801)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.061,   1.628,   4.528)  (  6.061,   1.628,   4.528)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.382,  -0.857,  -3.501)  ( -0.382,  -0.857,  -3.501)  ( 0.00,  0.00,  0.00)
162: 10       ( 22.449, -68.998,   4.633)  ( 22.451, -68.976,   4.636)  ( 0.01,  0.03,  0.05)
162:     bond    (  7.092, -71.602,  11.127)  (  7.093, -71.580,  11.128)  ( 0.01,  0.03,  0.01)
162:     angle   ( 25.125,  -1.719, -27.071)  ( 25.126,  -1.719, -27.069)  ( 0.01,  0.00,  0.01)
162:     torsion ( -6.304,   2.008,  16.933)  ( -6.304,   2.008,  16.933)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.779,   5.337,   5.446)  ( -3.778,   5.337,   5.446)  ( 0.01,  0.00,  0.00)
162:     electro (  0.314,  -3.023,  -1.802)  (  0.314,  -3.023,  -1.802)  ( 0.00,  0.00,  0.00)
162: 11       (-91.763,  -3.754,  31.627)  (-91.731,  -3.718,  31.634)  ( 0.04,  0.95,  0.02)
162:     bond    (-115.629,  31.876,  11.097)  (-115.607,  31.903,  11.099)  ( 0.02,  0.09,  0.02)
162:     angle   ( 40.424, -23.656,  -4.616)  ( 40.434, -23.649,  -4.615)  ( 0.02,  0.03,  0.02)
162:     torsion ( -3.029, -18.365,  20.747)  ( -3.029, -18.365,  20.751)  ( 0.00,  0.00,  0.02)
162:     oop     (  0.009,   0.135,  -0.575)  (  0.009,   0.135,  -0.575)  ( 0.00,  0.00,  0.01)
162:     vdw     (-16.945,   5.217,   3.707)  (-16.944,   5.217,   3.707)  ( 0.00,  0.00,  0.00)
162:     electro (  3.407,   1.040,   1.267)  (  3.407,   1.040,   1.267)  ( 0.00,  0.00,  0.00)
162: 12       (-16.917,   0.368,  -2.780)  (-16.880,   0.403,  -2.771)  ( 0.22,  1.29,  0.30)
162:     bond    ( -8.035, -13.185,  -3.327)  ( -8.007, -13.159,  -3.325)  ( 0.34,  0.20,  0.05)
162:     angle   (  6.508,  32.172,   7.826)  (  6.518,  32.180,   7.827)  ( 0.14,  0.03,  0.01)
162:     torsion (  0.011,   0.610,  -2.907)  (  0.011,   0.610,  -2.901)  ( 0.00,  0.02,  0.19)
162:     oop     ( -0.005,   0.065,  -0.288)  ( -0.005,   0.066,  -0.287)  ( 0.00,  0.00,  0.02)
162:     vdw     (-15.584, -19.036,  -3.769)  (-15.584, -19.036,  -3.769)  ( 0.00,  0.00,  0.00)
162:     electro (  0.187,  -0.259,  -0.316)  (  0.187,  -0.259,  -0.316)  ( 0.00,  0.00,  0.00)
162: 13       ( 11.270, -95.690, -41.525)  ( 11.309, -95.656, -41.516)  ( 0.34,  0.04,  0.02)
162:     bond    ( 28.466,  16.983,   3.015)  ( 28.496,  17.006,   3.017)  ( 0.11,  0.14,  0.06)
162:     angle   (  3.964, -95.948, -24.764)  (  3.972, -95.938, -24.764)  ( 0.19,  0.01,  0.00)
162:     torsion ( -0.141,   1.849,  -7.029)  ( -0.141,   1.849,  -7.023)  ( 0.00,  0.02,  0.08)
162:     oop     ( -0.018,   0.196,  -0.781)  ( -0.018,   0.196,  -0.780)  ( 0.00,  0.00,  0.06)
162:     vdw     (-21.669, -18.406, -11.846)  (-21.669, -18.406, -11.846)  ( 0.00,  0.00,  0.00)
162:     electro (  0.669,  -0.364,  -0.121)  (  0.669,  -0.364,  -0.121)  ( 0.00,  0.00,  0.00)
162: 14       (-140.188,  98.160,  73.920)  (-140.150,  98.198,  73.928)  ( 0.03,  0.04,  0.01)
162:     bond    (-82.770,  58.919,  18.111)  (-82.743,  58.946,  18.113)  ( 0.03,  0.05,  0.01)
162:     angle   (-60.873,  53.130,  19.549)  (-60.863,  53.140,  19.549)  ( 0.02,  0.02,  0.00)
162:     torsion ( -0.379, -11.956,  45.545)  ( -0.379, -11.955,  45.551)  ( 0.00,  0.00,  0.01)
162:     oop     (  0.007,  -0.075,   0.304)  (  0.007,  -0.075,   0.304)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.636,  -3.098,  -8.519)  (  6.637,  -3.098,  -8.519)  ( 0.01,  0.01,  0.00)
162:     electro ( -2.809,   1.240,  -1.070)  ( -2.809,   1.240,  -1.070)  ( 0.00,  0.00,  0.00)
162: 15       (232.724, 225.345,  56.880)  (232.765, 225.385,  56.890)  ( 0.02,  0.02,  0.02)
162:     bond    (208.431, 186.218,  54.498)  (208.462, 186.248,  54.502)  ( 0.01,  0.02,  0.01)
162:     angle   (  7.144,  16.209,  14.422)  (  7.154,  16.218,  14.423)  ( 0.14,  0.06,  0.01)
162:     torsion (  0.685,   3.522, -15.763)  (  0.685,   3.523, -15.757)  ( 0.01,  0.02,  0.03)
162:     oop     (  0.010,   0.195,  -0.759)  (  0.010,   0.195,  -0.758)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 19.014,  18.420,   4.425)  ( 19.014,  18.420,   4.425)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.560,   0.781,   0.056)  ( -2.560,   0.781,   0.056)  ( 0.00,  0.00,  0.00)
162: 16       (-27.321,  38.880,  -5.682)  (-27.282,  38.914,  -5.673)  ( 0.14,  0.09,  0.16)
162:     bond    ( 42.454,  -0.705,   1.999)  ( 42.484,  -0.682,   2.001)  ( 0.07,  1.62,  0.10)
162:     angle   (-46.803,  20.940,   4.807)  (-46.795,  20.950,   4.808)  ( 0.02,  0.05,  0.01)
162:     torsion (  0.606,   6.259, -22.040)  (  0.606,   6.259, -22.034)  ( 0.00,  0.01,  0.03)
163:     bond    ( 21.393,  15.082, -15.096)  ( 21.407,  15.089, -15.089)  ( 0.06,  0.05,  0.05)
163:     angle   ( 13.456,   7.526,  26.619)  ( 13.458,   7.528,  26.622)  ( 0.02,  0.04,  0.01)
163:     torsion ( -0.019,   0.010,  -0.017)  ( -0.019,   0.010,  -0.017)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.421,  -0.547,  -1.936)  ( -0.421,  -0.546,  -1.936)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 26       (-30.400,   1.530,  -6.272)  (-30.384,   1.535,  -6.258)  ( 0.05,  0.35,  0.23)
163:     bond    (-20.249,  -7.300, -19.136)  (-20.236,  -7.298, -19.124)  ( 0.07,  0.02,  0.06)
163:     angle   (-29.255,  18.971,  23.710)  (-29.253,  18.975,  23.712)  ( 0.01,  0.02,  0.01)
163:     torsion ( -0.006,  -0.023,   0.014)  ( -0.006,  -0.023,   0.014)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 19.109, -10.119, -10.861)  ( 19.110, -10.119, -10.861)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 27       ( 25.004, -12.499,  28.368)  ( 25.011, -12.478,  28.375)  ( 0.03,  0.17,  0.02)
163:     bond    ( 11.583, -25.719,  11.135)  ( 11.587, -25.699,  11.138)  ( 0.03,  0.08,  0.03)
163:     angle   ( 13.816,  14.065,  18.075)  ( 13.820,  14.066,  18.078)  ( 0.02,  0.01,  0.02)
163:     torsion (  0.024,   0.012,   0.003)  (  0.024,   0.012,   0.003)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.420,  -0.856,  -0.844)  ( -0.420,  -0.856,  -0.844)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 34 # gradients 
163: ok 35 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (1369.371, 1195.430, 1995.217)  (1369.423, 1195.454, 1995.268)  ( 0.00,  0.00,  0.00)
163:     bond    (1461.461, 1275.601, 2025.255)  (1461.505, 1275.614, 2025.297)  ( 0.00,  0.00,  0.00)
163:     angle   (-94.800, -75.151, -31.579)  (-94.792, -75.141, -31.571)  ( 0.01,  0.01,  0.03)
163:     torsion (  2.079,  -6.467,   0.470)  (  2.079,  -6.467,   0.470)  ( 0.00,  0.01,  0.00)
163:     vdw     (  0.631,   1.447,   1.072)  (  0.631,   1.447,   1.072)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       (-181.675, 105.621, 179.573)  (-181.622, 105.667, 179.622)  ( 0.03,  0.04,  0.03)
163:     bond    (-148.144,  60.423, 102.210)  (-148.102,  60.459, 102.246)  ( 0.03,  0.06,  0.04)
163:     angle   (-28.350,  45.228,  69.391)  (-28.340,  45.238,  69.404)  ( 0.04,  0.02,  0.02)
163:     torsion ( -1.446,   1.438,   1.670)  ( -1.446,   1.438,   1.670)  ( 0.02,  0.03,  0.02)
163:     vdw     ( -3.735,  -1.468,   6.302)  ( -3.735,  -1.468,   6.302)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       (-132.371, -161.041, 125.197)  (-132.323, -160.993, 125.249)  ( 0.04,  0.03,  0.04)
163:     bond    (-94.820, -119.067, 105.652)  (-94.784, -119.030, 105.693)  ( 0.04,  0.03,  0.04)
163:     angle   (-31.282, -40.683,  10.602)  (-31.271, -40.672,  10.611)  ( 0.03,  0.03,  0.09)
163:     torsion ( -1.488,  -1.816,   0.312)  ( -1.488,  -1.815,   0.312)  ( 0.03,  0.03,  0.01)
163:     vdw     ( -4.780,   0.524,   8.632)  ( -4.780,   0.524,   8.632)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (-15.902, 115.758,  12.897)  (-15.857, 115.778,  12.945)  ( 0.29,  0.02,  0.38)
163:     bond    (-28.066,  85.668,  -9.634)  (-28.027,  85.679,  -9.591)  ( 0.14,  0.01,  0.44)
163:     angle   ( 14.028,  26.175,  23.400)  ( 14.034,  26.182,  23.406)  ( 0.04,  0.03,  0.03)
163:     torsion ( -1.256,   4.948,   0.115)  ( -1.256,   4.948,   0.116)  ( 0.02,  0.01,  0.00)
163:     vdw     ( -0.608,  -1.032,  -0.985)  ( -0.608,  -1.032,  -0.985)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (176.944, -86.116, -142.995)  (176.997, -86.070, -142.947)  ( 0.03,  0.05,  0.03)
163:     bond    (141.110, -61.763, -102.053)  (141.152, -61.727, -102.017)  ( 0.03,  0.06,  0.04)
163:     angle   ( 26.086, -27.000, -36.336)  ( 26.097, -26.991, -36.325)  ( 0.04,  0.03,  0.03)
163:     torsion (  0.894,  -1.212,  -1.769)  (  0.894,  -1.211,  -1.768)  ( 0.03,  0.04,  0.02)
163:     vdw     (  8.855,   3.859,  -2.837)  (  8.855,   3.859,  -2.837)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (157.851, 189.819, -117.633)  (157.899, 189.868, -117.581)  ( 0.03,  0.03,  0.04)
163:     bond    ( 96.212, 121.860, -105.322)  ( 96.248, 121.897, -105.281)  ( 0.04,  0.03,  0.04)
163:     angle   ( 52.701,  64.745,  -8.770)  ( 52.712,  64.757,  -8.760)  ( 0.02,  0.02,  0.11)
163:     torsion (  1.075,   2.443,  -0.727)  (  1.075,   2.444,  -0.727)  ( 0.04,  0.02,  0.02)
163:     vdw     (  7.863,   0.770,  -2.813)  (  7.863,   0.770,  -2.813)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       (-133.686, -119.156, -187.980)  (-133.636, -119.106, -187.928)  ( 0.04,  0.04,  0.03)
163:     bond    (-85.996, -97.284, -126.688)  (-85.958, -97.245, -126.649)  ( 0.04,  0.04,  0.03)
163:     angle   (-41.435, -21.293, -53.864)  (-41.424, -21.281, -53.852)  ( 0.03,  0.05,  0.02)
163:     torsion ( -0.017,   0.011,   0.003)  ( -0.017,   0.011,   0.003)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -6.238,  -0.590,  -7.431)  ( -6.238,  -0.590,  -7.430)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (1573.982, -2052.237, -2187.666)  (1574.030, -2052.177, -2187.611)  ( 0.00,  0.00,  0.00)
163:     bond    (1548.366, -2060.217, -2183.958)  (1548.400, -2060.170, -2183.914)  ( 0.00,  0.00,  0.00)
163:     angle   ( 19.787,   7.107,  -6.660)  ( 19.801,   7.120,  -6.649)  ( 0.07,  0.18,  0.17)
163:     torsion ( -1.000,   2.025,  -1.521)  ( -1.000,   2.025,  -1.521)  ( 0.00,  0.00,  0.02)
163:     vdw     (  2.318,   1.078,   4.865)  (  2.318,   1.078,   4.865)  ( 0.01,  0.01,  0.00)
163:     electro (  4.512,  -2.230,  -0.392)  (  4.512,  -2.230,  -0.392)  ( 0.00,  0.00,  0.00)
163:  9       ( -7.983, -41.507, -35.682)  ( -7.977, -41.500, -35.661)  ( 0.07,  0.02,  0.06)
163:     bond    (  4.870,   5.245, -14.381)  (  4.872,   5.247, -14.361)  ( 0.05,  0.05,  0.14)
163:     angle   (-15.868, -48.162, -22.980)  (-15.864, -48.158, -22.979)  ( 0.02,  0.01,  0.00)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  3.787,   0.954,   0.884)  (  3.787,   0.954,   0.884)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.772,   0.456,   0.795)  ( -0.772,   0.456,   0.795)  ( 0.00,  0.00,  0.00)
163: 10       ( 27.594, -14.399, -46.283)  ( 27.599, -14.375, -46.279)  ( 0.02,  0.17,  0.01)
163:     bond    (  1.010, -10.223,   1.585)  (  1.011, -10.199,   1.586)  ( 0.03,  0.24,  0.04)
163:     angle   ( 30.378,  -4.575, -48.799)  ( 30.382,  -4.575, -48.795)  ( 0.01,  0.00,  0.01)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -1.850,   0.228,   1.522)  ( -1.850,   0.228,   1.522)  ( 0.01,  0.00,  0.01)
163:     electro ( -1.944,   0.171,  -0.592)  ( -1.944,   0.171,  -0.592)  ( 0.00,  0.00,  0.00)
163: 11       (-2877.194, 780.290, 282.207)  (-2877.127, 780.387, 282.225)  ( 0.00,  0.01,  0.01)
163:     bond    (-2944.764, 766.776, 249.933)  (-2944.709, 766.863, 249.945)  ( 0.00,  0.01,  0.01)
163:     angle   ( 71.107,  12.851,  27.872)  ( 71.119,  12.861,  27.874)  ( 0.02,  0.07,  0.01)
163:     torsion (  0.047,  -0.634,   2.789)  (  0.047,  -0.634,   2.791)  ( 0.00,  0.01,  0.08)
163:     vdw     ( -3.584,   1.297,   1.614)  ( -3.584,   1.297,   1.614)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (-70.944, -46.432, -11.513)  (-70.859, -46.350, -11.506)  ( 0.12,  0.18,  0.07)
163:     bond    (-73.273, -87.425, -19.694)  (-73.200, -87.355, -19.690)  ( 0.10,  0.08,  0.02)
163:     angle   (  8.092,  43.087,  10.723)  (  8.105,  43.099,  10.723)  ( 0.15,  0.03,  0.01)
163:     torsion ( -0.013,   0.501,  -2.331)  ( -0.013,   0.501,  -2.328)  ( 0.00,  0.01,  0.13)
163:     vdw     ( -4.596,  -4.209,  -1.153)  ( -4.596,  -4.209,  -1.153)  ( 0.00,  0.00,  0.00)
163:     electro ( -1.154,   1.614,   0.942)  ( -1.154,   1.614,   0.942)  ( 0.00,  0.00,  0.00)
163: 13       (103.292, -167.482, -50.570)  (103.394, -167.413, -50.562)  ( 0.10,  0.04,  0.02)
163:     bond    (101.082, -18.155,  -7.464)  (101.171, -18.100,  -7.460)  ( 0.09,  0.30,  0.06)
163:     angle   ( 10.732, -148.703, -38.696)  ( 10.745, -148.689, -38.695)  ( 0.12,  0.01,  0.00)
163:     torsion ( -0.027,   0.546,  -2.011)  ( -0.027,   0.546,  -2.008)  ( 0.00,  0.01,  0.15)
163:     vdw     ( -8.577,  -1.464,  -3.092)  ( -8.577,  -1.463,  -3.092)  ( 0.00,  0.02,  0.00)
163:     electro (  0.082,   0.294,   0.693)  (  0.082,   0.294,   0.693)  ( 0.00,  0.00,  0.00)
163: 14       (-340.783, 244.004, 103.856)  (-340.702, 244.105, 103.865)  ( 0.02,  0.04,  0.01)
163:     bond    (-242.685, 169.679,  51.566)  (-242.620, 169.756,  51.571)  ( 0.03,  0.05,  0.01)
163:     angle   (-90.118,  80.283,  38.870)  (-90.102,  80.306,  38.871)  ( 0.02,  0.03,  0.00)
163:     torsion (  0.878,  -3.052,  21.109)  (  0.878,  -3.052,  21.112)  ( 0.00,  0.01,  0.02)
163:     vdw     ( -8.858,  -2.905,  -7.690)  ( -8.858,  -2.905,  -7.689)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 15       (-73.315, -132.854, -48.254)  (-73.221, -132.766, -48.244)  ( 0.13,  0.07,  0.02)
163:     bond    (-57.772, -173.544, -48.927)  (-57.694, -173.468, -48.921)  ( 0.14,  0.04,  0.01)
163:     angle   (-12.260,  33.289,  10.647)  (-12.246,  33.300,  10.648)  ( 0.12,  0.03,  0.01)
163:     torsion ( -0.061,   1.973,  -7.707)  ( -0.061,   1.974,  -7.705)  ( 0.00,  0.01,  0.04)
163:     vdw     ( -3.222,   5.428,  -2.267)  ( -3.221,   5.428,  -2.267)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 16       ( 35.176,  96.616,  32.145)  ( 35.277,  96.684,  32.153)  ( 0.28,  0.07,  0.03)
163:     bond    (107.267,  64.420,  20.261)  (107.355,  64.475,  20.266)  ( 0.08,  0.09,  0.02)
163:     angle   (-66.999,  27.788,   6.767)  (-66.988,  27.800,   6.768)  ( 0.02,  0.04,  0.01)
163:     torsion (  0.086,  -0.719,   3.121)  (  0.086,  -0.718,   3.124)  ( 0.00,  0.01,  0.10)
163:     vdw     ( -3.557,   6.031,   1.619)  ( -3.557,   6.031,   1.619)  ( 0.00,  0.00,  0.00)
163:     electro ( -1.620,  -0.904,   0.376)  ( -1.620,  -0.904,   0.376)  ( 0.00,  0.00,  0.00)
163: 17       ( 72.990, -38.251, -125.567)  ( 73.023, -38.214, -125.562)  ( 0.05,  0.10,  0.00)
163:     bond    ( 76.533,  48.205,  -2.919)  ( 76.562,  48.230,  -2.920)  ( 0.04,  0.05,  0.01)
163:     angle   ( 44.783,  15.169,  -6.917)  ( 44.787,  15.180,  -6.916)  ( 0.01,  0.07,  0.02)
163:     torsion ( -4.190,  -0.869, -11.772)  ( -4.190,  -0.869, -11.770)  ( 0.00,  0.01,  0.02)
163:     vdw     (-44.136, -100.757, -103.958)  (-44.136, -100.754, -103.956)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 18       (119.639, -56.704, -193.548)  (119.684, -56.658, -193.499)  ( 0.04,  0.08,  0.03)
163:     bond    ( 90.494, -62.887, -134.670)  ( 90.528, -62.851, -134.631)  ( 0.04,  0.06,  0.03)
163:     angle   (  7.958,   4.349, -58.658)  (  7.967,   4.359, -58.648)  ( 0.11,  0.23,  0.02)
163:     torsion (  6.994,   0.785,  -1.421)  (  6.994,   0.785,  -1.420)  ( 0.01,  0.02,  0.05)
163:     vdw     ( 14.194,   1.049,   1.201)  ( 14.194,   1.049,   1.201)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 19       (-28.867, -137.080, 213.252)  (-28.819, -137.032, 213.302)  ( 0.17,  0.04,  0.02)
163:     bond    ( -2.959, -76.425, 133.671)  ( -2.923, -76.388, 133.709)  ( 1.23,  0.05,  0.03)
163:     angle   (-21.380, -58.465,  80.090)  (-21.369, -58.454,  80.102)  ( 0.05,  0.02,  0.02)
163:     torsion ( -6.308,  -1.853,  -1.783)  ( -6.308,  -1.852,  -1.783)  ( 0.01,  0.02,  0.01)
163:     vdw     (  1.781,  -0.337,   1.274)  (  1.781,  -0.337,   1.274)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       (207.909, -466.263,  79.993)  (207.985, -466.174,  80.005)  ( 0.04,  0.02,  0.01)
163:     bond    (182.230, -600.186,  98.639)  (182.294, -600.111,  98.647)  ( 0.04,  0.01,  0.01)
163:     angle   ( 30.140, 138.056, -17.107)  ( 30.152, 138.069, -17.105)  ( 0.04,  0.01,  0.01)
163:     torsion ( -1.300,   0.946,   0.552)  ( -1.300,   0.946,   0.554)  ( 0.03,  0.01,  0.12)
163:     vdw     ( -3.161,  -5.079,  -2.091)  ( -3.161,  -5.079,  -2.091)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 21       (264.766, 1019.746,  41.828)  (264.807, 1019.826,  41.835)  ( 0.02,  0.01,  0.02)
163:     bond    (243.258, 971.230,  40.076)  (243.286, 971.307,  40.079)  ( 0.01,  0.01,  0.01)
163:     angle   ( 14.169,  42.623,   0.148)  ( 14.181,  42.625,   0.150)  ( 0.08,  0.01,  0.03)
163:     torsion ( -1.329,   0.222,   3.722)  ( -1.329,   0.222,   3.723)  ( 0.02,  0.00,  0.04)
163:     vdw     (  8.669,   5.671,  -2.118)  (  8.669,   5.671,  -2.118)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 22       (-402.004, -170.741, -141.440)  (-401.917, -170.640, -141.423)  ( 0.02,  0.06,  0.01)
163:     bond    (-503.192, -178.190, -182.315)  (-503.117, -178.102, -182.302)  ( 0.02,  0.05,  0.01)
163:     angle   (102.277,   0.774,  39.469)  (102.288,   0.786,  39.470)  ( 0.01,  0.93,  0.00)
163:     torsion ( -0.534,   0.081,   1.258)  ( -0.533,   0.081,   1.261)  ( 0.02,  0.00,  0.24)
163:     vdw     ( -0.555,   6.594,   0.148)  ( -0.555,   6.594,   0.148)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 23       (265.191, -645.691, 142.343)  (265.272, -645.583, 142.360)  ( 0.03,  0.02,  0.01)
163:     bond    (398.592, -719.663, 195.944)  (398.659, -719.565, 195.956)  ( 0.02,  0.01,  0.01)
163:     angle   (-135.752,  68.646, -51.584)  (-135.740,  68.656, -51.583)  ( 0.01,  0.01,  0.00)
163:     torsion (  0.753,  -0.118,  -2.003)  (  0.754,  -0.118,  -2.000)  ( 0.04,  0.00,  0.18)
163:     vdw     (  1.598,   5.444,  -0.014)  (  1.598,   5.444,  -0.014)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 24       (-80.570, 704.233, -74.510)  (-80.507, 704.325, -74.494)  ( 0.08,  0.01,  0.02)
163:     bond    ( 93.805, 555.868,   4.190)  ( 93.859, 555.946,   4.203)  ( 0.06,  0.01,  0.31)
163:     angle   (-173.921, 150.290, -79.824)  (-173.912, 150.303, -79.823)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.452,   0.056,   1.226)  ( -0.452,   0.056,   1.228)  ( 0.02,  0.00,  0.21)
163:     vdw     ( -0.003,  -1.981,  -0.103)  ( -0.003,  -1.981,  -0.103)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 25       (138.634, -255.892,  72.775)  (138.719, -255.822,  72.790)  ( 0.06,  0.03,  0.02)
163:     bond    ( 78.315, 129.261,  21.824)  ( 78.391, 129.313,  21.836)  ( 0.10,  0.04,  0.06)
163:     angle   ( 56.522, -381.810,  49.106)  ( 56.530, -381.791,  49.107)  ( 0.01,  0.00,  0.00)
163:     torsion (  0.678,   0.012,  -1.874)  (  0.679,   0.012,  -1.871)  ( 0.03,  0.00,  0.13)
163:     vdw     (  2.878,  -4.540,   3.180)  (  2.878,  -4.540,   3.180)  ( 0.00,  0.01,  0.00)
163:     electro (  0.241,   1.185,   0.538)  (  0.241,   1.185,   0.538)  ( 0.00,  0.00,  0.00)
163: 26       (-136.091, -340.547, -47.481)  (-136.024, -340.460, -47.468)  ( 0.05,  0.03,  0.03)
163:     bond    (-101.762, -361.165,  -9.618)  (-101.706, -361.091,  -9.610)  ( 0.06,  0.02,  0.08)
163:     angle   (-38.960,  23.208, -34.425)  (-38.950,  23.221, -34.422)  ( 0.03,  0.06,  0.01)
163:     torsion (  3.895,  -1.182, -10.458)  (  3.895,  -1.182, -10.457)  ( 0.01,  0.01,  0.02)
163:     vdw     (  0.737,  -1.408,   7.021)  (  0.737,  -1.408,   7.021)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 27       (392.416, -128.937, 160.507)  (392.479, -128.885, 160.518)  ( 0.02,  0.04,  0.01)
163:     bond    (379.882, -144.919, 155.173)  (379.943, -144.876, 155.182)  ( 0.02,  0.03,  0.01)
163:     angle   ( 14.261,  17.407,   2.817)  ( 14.264,  17.416,   2.818)  ( 0.02,  0.05,  0.04)
163:     torsion ( -1.305,   0.304,   3.355)  ( -1.305,   0.304,   3.356)  ( 0.01,  0.00,  0.02)
163:     vdw     ( -0.422,  -1.729,  -0.838)  ( -0.422,  -1.729,  -0.838)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 28       (1315.146, -74.669, 493.336)  (1315.206, -74.577, 493.354)  ( 0.00,  0.12,  0.00)
163:     bond    (1185.804,  92.689, 432.055)  (1185.856,  92.772, 432.069)  ( 0.00,  0.09,  0.00)
163:     angle   (130.865, -167.104,  60.684)  (130.874, -167.094,  60.687)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.460,   0.082,   1.241)  ( -0.460,   0.082,   1.242)  ( 0.01,  0.00,  0.11)
163:     vdw     ( -1.064,  -0.337,  -0.644)  ( -1.064,  -0.337,  -0.644)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 29       (-407.489, 229.581, -174.705)  (-407.472, 229.589, -174.700)  ( 0.00,  0.00,  0.00)
163:     bond    (-428.438, 181.023, -179.396)  (-428.422, 181.028, -179.392)  ( 0.00,  0.00,  0.00)
163:     angle   ( 18.109,  47.213,   4.397)  ( 18.110,  47.216,   4.397)  ( 0.00,  0.01,  0.00)
163:     torsion (  0.211,  -0.029,  -0.534)  (  0.211,  -0.029,  -0.534)  ( 0.00,  0.00,  0.03)
163:     vdw     (  2.629,   1.375,   0.829)  (  2.629,   1.375,   0.829)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 30       (-1375.520,  93.450, -519.145)  (-1375.476,  93.506, -519.093)  ( 0.00,  0.06,  0.01)
163:     bond    (-1368.931,   2.598, -509.342)  (-1368.899,   2.640, -509.300)  ( 0.00,  1.63,  0.01)
163:     angle   ( -6.421,  89.619,  -9.663)  ( -6.410,  89.632,  -9.653)  ( 0.18,  0.01,  0.11)
163:     torsion ( -0.024,   0.004,   0.064)  ( -0.024,   0.004,   0.065)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.144,   1.230,  -0.204)  ( -0.144,   1.230,  -0.204)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 31       (-252.383,  68.712,  72.986)  (-252.334,  68.760,  73.032)  ( 0.02,  0.07,  0.06)
163:     bond    (-183.680, 108.332,  28.850)  (-183.643, 108.368,  28.887)  ( 0.02,  0.03,  0.13)
163:     angle   (-67.485, -40.784,  37.274)  (-67.473, -40.773,  37.283)  ( 0.02,  0.03,  0.02)
163:     torsion ( -1.634,   0.633,   4.614)  ( -1.633,   0.633,   4.614)  ( 0.03,  0.02,  0.01)
163:     vdw     (  0.416,   0.531,   2.248)  (  0.416,   0.531,   2.248)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 32       ( 26.424, 201.539, -65.524)  ( 26.469, 201.589, -65.476)  ( 0.17,  0.02,  0.07)
163:     bond    ( 10.558, 131.097, -37.808)  ( 10.594, 131.133, -37.771)  ( 0.34,  0.03,  0.10)
163:     angle   ( 15.093,  68.172, -27.150)  ( 15.102,  68.185, -27.140)  ( 0.06,  0.02,  0.04)
163:     torsion (  0.521,   3.013,  -1.060)  (  0.521,   3.013,  -1.060)  ( 0.03,  0.02,  0.02)
163:     vdw     (  0.252,  -0.742,   0.494)  (  0.252,  -0.742,   0.494)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 33       (  5.447, -166.720, -114.957)  (  5.495, -166.670, -114.908)  ( 0.89,  0.03,  0.04)
163:     bond    (  0.388, -85.303, -71.338)  (  0.425, -85.265, -71.301)  ( 1.43,  0.04,  0.05)
163:     angle   (  3.800, -80.567, -42.048)  (  3.811, -80.555, -42.036)  ( 0.29,  0.02,  0.03)
163:     torsion (  0.744,  -0.036,   0.075)  (  0.745,  -0.036,   0.076)  ( 0.04,  0.00,  0.00)
163:     vdw     (  0.514,  -0.814,  -1.646)  (  0.514,  -0.814,  -1.646)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 34       ( 39.872, -79.602, -11.314)  ( 39.879, -79.577, -11.310)  ( 0.02,  0.03,  0.04)
163:     bond    ( 31.505, -86.048,   4.238)  ( 31.508, -86.023,   4.238)  ( 0.01,  0.03,  0.01)
163:     angle   ( 12.846,   3.739, -19.615)  ( 12.848,   3.740, -19.612)  ( 0.02,  0.01,  0.02)
163:     torsion (  2.043,   0.649,  -2.011)  (  2.043,   0.649,  -2.011)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -6.521,   2.057,   6.075)  ( -6.521,   2.057,   6.075)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 35       ( 36.284,  22.966, -82.660)  ( 36.289,  22.973, -82.636)  ( 0.01,  0.03,  0.03)
163:     bond    ( 21.884,  34.000, -84.579)  ( 21.886,  34.004, -84.556)  ( 0.01,  0.01,  0.03)
163:     angle   ( 18.455, -11.667,   0.087)  ( 18.458, -11.664,   0.087)  ( 0.01,  0.03,  0.00)
163:     torsion ( -0.871,   0.454,  -0.043)  ( -0.871,   0.454,  -0.043)  ( 0.01,  0.01,  0.00)
163:     vdw     ( -3.185,   0.179,   1.876)  ( -3.184,   0.179,   1.876)  ( 0.01,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 36       ( 88.882,  10.987, -11.983)  ( 88.909,  10.992, -11.979)  ( 0.03,  0.04,  0.03)
163:     bond    ( 91.385,  -5.329, -13.368)  ( 91.412,  -5.328, -13.367)  ( 0.03,  0.01,  0.01)
163:     angle   ( -0.040,  18.084,  -7.489)  ( -0.040,  18.088,  -7.487)  ( 0.00,  0.02,  0.04)
163:     torsion (  0.028,  -1.127,   0.641)  (  0.028,  -1.127,   0.641)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -2.490,  -0.640,   8.233)  ( -2.490,  -0.640,   8.234)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 37       ( -4.098,  87.111, -10.557)  ( -4.092,  87.137, -10.553)  ( 0.14,  0.03,  0.04)
163:     bond    (-24.076,  86.846, -10.570)  (-24.074,  86.872, -10.569)  ( 0.01,  0.03,  0.01)
163:     angle   ( 21.480,   4.731, -10.050)  ( 21.483,   4.731, -10.048)  ( 0.02,  0.00,  0.03)
163:     torsion (  2.789,   0.583,  -1.558)  (  2.789,   0.583,  -1.558)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -4.290,  -5.049,  11.622)  ( -4.290,  -5.049,  11.622)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 38       (-23.572, -16.685,  85.626)  (-23.567, -16.678,  85.650)  ( 0.02,  0.04,  0.03)
163:     bond    (-20.719, -32.829,  83.983)  (-20.718, -32.825,  84.006)  ( 0.01,  0.01,  0.03)
163:     angle   (-11.944,  14.964,   2.903)  (-11.941,  14.967,   2.904)  ( 0.02,  0.02,  0.02)
163:     torsion (  0.733,  -0.743,  -0.110)  (  0.733,  -0.743,  -0.110)  ( 0.01,  0.01,  0.00)
163:     vdw     (  8.358,   1.923,  -1.150)  (  8.359,   1.923,  -1.150)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 39       (-33.595,  79.887,  14.514)  (-33.588,  79.911,  14.518)  ( 0.02,  0.03,  0.03)
163:     bond    (-31.431,  85.012,  -4.595)  (-31.427,  85.037,  -4.594)  ( 0.01,  0.03,  0.01)
163:     angle   (-13.511,  -3.912,  19.998)  (-13.508,  -3.912,  20.001)  ( 0.02,  0.01,  0.02)
163:     torsion ( -1.754,  -0.523,   2.320)  ( -1.754,  -0.523,   2.321)  ( 0.00,  0.00,  0.01)
163:     vdw     ( 13.101,  -0.691,  -3.210)  ( 13.101,  -0.691,  -3.210)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 40       (-89.565, -10.449,  25.871)  (-89.538, -10.445,  25.875)  ( 0.03,  0.04,  0.02)
163:     bond    (-93.440,   4.720,  14.652)  (-93.413,   4.721,  14.653)  ( 0.03,  0.01,  0.01)
163:     angle   (  1.162, -17.513,  13.046)  (  1.162, -17.510,  13.049)  ( 0.01,  0.02,  0.02)
163:     torsion ( -0.082,   0.250,  -0.606)  ( -0.082,   0.250,  -0.606)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.795,   2.094,  -1.222)  (  2.795,   2.094,  -1.222)  ( 0.00,  0.00,  0.02)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 41       (  8.560, -87.495,  19.317)  (  8.566, -87.469,  19.321)  ( 0.07,  0.03,  0.02)
163:     bond    ( 25.302, -87.579,  10.941)  ( 25.304, -87.554,  10.942)  ( 0.01,  0.03,  0.01)
163:     angle   (-20.325,  -4.214,  13.279)  (-20.322,  -4.213,  13.282)  ( 0.02,  0.01,  0.02)
163:     torsion ( -1.939,  -0.352,   1.667)  ( -1.939,  -0.352,   1.667)  ( 0.01,  0.00,  0.00)
163:     vdw     (  5.522,   4.650,  -6.571)  (  5.523,   4.650,  -6.570)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 42       (-13.989,  74.223,   4.958)  (-13.983,  74.249,   4.962)  ( 0.04,  0.03,  0.08)
163:     bond    (-21.453,  74.914,  -3.292)  (-21.450,  74.940,  -3.291)  ( 0.01,  0.03,  0.01)
163:     angle   ( 14.946,   5.094,  18.557)  ( 14.949,   5.094,  18.561)  ( 0.02,  0.00,  0.02)
163:     torsion ( -0.016,  -0.004,   0.014)  ( -0.016,  -0.004,   0.014)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -7.466,  -5.781, -10.321)  ( -7.466,  -5.781, -10.321)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 43       ( 78.263,  -2.252,   8.047)  ( 78.290,  -2.248,   8.051)  ( 0.03,  0.18,  0.06)
163:     bond    ( 77.211,  -4.184,  -9.515)  ( 77.238,  -4.183,  -9.514)  ( 0.04,  0.01,  0.01)
163:     angle   (  3.619,   3.438,  27.860)  (  3.619,   3.442,  27.863)  ( 0.00,  0.11,  0.01)
163:     torsion (  0.007,  -0.165,   0.126)  (  0.007,  -0.165,   0.126)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.573,  -1.341, -10.424)  ( -2.573,  -1.341, -10.424)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 44       (  0.559, -21.658,  75.747)  (  0.565, -21.651,  75.771)  ( 0.29,  0.03,  0.03)
163:     bond    (-15.723, -27.268,  71.326)  (-15.722, -27.264,  71.349)  ( 0.01,  0.01,  0.03)
163:     angle   ( 25.339,   8.729,   8.920)  ( 25.342,   8.732,   8.921)  ( 0.01,  0.04,  0.01)
163:     torsion (  0.198,  -0.151,  -0.014)  (  0.198,  -0.151,  -0.014)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -9.254,  -2.968,  -4.484)  ( -9.254,  -2.968,  -4.484)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 45       ( 64.163,  80.826,  16.856)  ( 64.181,  80.843,  16.858)  ( 0.03,  0.02,  0.01)
163:     bond    ( 74.615,  74.402,  16.715)  ( 74.629,  74.416,  16.717)  ( 0.02,  0.02,  0.01)
163:     angle   ( -6.637,   6.301,   1.557)  ( -6.635,   6.304,   1.557)  ( 0.04,  0.04,  0.01)
163:     torsion ( -0.008,   0.091,  -0.372)  ( -0.008,   0.091,  -0.371)  ( 0.00,  0.00,  0.03)
163:     vdw     ( -2.955,   0.013,  -0.139)  ( -2.954,   0.013,  -0.139)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.852,   0.018,  -0.906)  ( -0.852,   0.018,  -0.906)  ( 0.00,  0.00,  0.00)
163: 46       (-16.253, 103.541,  27.783)  (-16.245, 103.567,  27.786)  ( 0.05,  0.03,  0.01)
163:     bond    (-17.811,  88.988,  23.233)  (-17.810,  89.014,  23.235)  ( 0.01,  0.03,  0.01)
163:     angle   ( 54.867,  10.478,   1.919)  ( 54.872,  10.478,   1.919)  ( 0.01,  0.00,  0.00)
163:     torsion (  0.012,  -0.370,   1.425)  (  0.012,  -0.370,   1.425)  ( 0.00,  0.00,  0.05)
163:     vdw     (-53.523,   4.113,   1.555)  (-53.521,   4.113,   1.555)  ( 0.00,  0.00,  0.01)
163:     electro (  0.202,   0.332,  -0.349)  (  0.202,   0.332,  -0.349)  ( 0.00,  0.00,  0.00)
163: 47       ( 46.686, -89.427, -26.362)  ( 46.694, -89.402, -26.359)  ( 0.02,  0.03,  0.01)
163:     bond    ( 27.135, -94.224, -26.191)  ( 27.138, -94.199, -26.189)  ( 0.01,  0.03,  0.01)
163:     angle   ( 23.097,   6.332,   1.160)  ( 23.102,   6.333,   1.160)  ( 0.02,  0.01,  0.01)
163:     torsion ( -0.042,   0.706,  -2.585)  ( -0.042,   0.706,  -2.584)  ( 0.00,  0.00,  0.03)
163:     vdw     ( -6.905,  -1.903,   1.416)  ( -6.905,  -1.903,   1.416)  ( 0.01,  0.00,  0.00)
163:     electro (  3.401,  -0.339,  -0.162)  (  3.401,  -0.339,  -0.162)  ( 0.00,  0.00,  0.00)
163: 48       (-80.683,  -1.490,  46.931)  (-80.656,  -1.486,  46.937)  ( 0.03,  0.23,  0.01)
163:     bond    (-88.637,  -2.317,  20.880)  (-88.611,  -2.317,  20.882)  ( 0.03,  0.02,  0.01)
163:     angle   (  5.474,  -2.071,  22.996)  (  5.474,  -2.068,  23.000)  ( 0.00,  0.14,  0.01)
163:     torsion (  1.564,   0.257,   6.664)  (  1.564,   0.257,   6.664)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.917,   2.642,  -3.609)  (  0.917,   2.642,  -3.609)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 49       ( 27.346,  12.069,  61.421)  ( 27.357,  12.077,  61.439)  ( 0.04,  0.07,  0.03)
163:     bond    ( 27.464,  27.278,  46.599)  ( 27.470,  27.284,  46.615)  ( 0.02,  0.02,  0.04)
163:     angle   (-45.485,  -9.884,  32.585)  (-45.483,  -9.881,  32.586)  ( 0.01,  0.02,  0.00)
163:     torsion (  1.360,   1.464,  -1.659)  (  1.361,   1.464,  -1.659)  ( 0.02,  0.00,  0.01)
163:     vdw     ( 44.008,  -6.790, -16.103)  ( 44.009,  -6.790, -16.103)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 50       (-19.918,  78.133, -20.035)  (-19.910,  78.158, -20.031)  ( 0.04,  0.03,  0.02)
163:     bond    (-29.029,  74.253,   5.631)  (-29.025,  74.277,   5.631)  ( 0.01,  0.03,  0.01)
163:     angle   ( 10.553,   6.257, -28.126)  ( 10.556,   6.257, -28.123)  ( 0.03,  0.01,  0.01)
163:     torsion ( -0.656,  -0.240,  -0.212)  ( -0.656,  -0.240,  -0.212)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -0.786,  -2.136,   2.672)  ( -0.786,  -2.136,   2.672)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 51       ( 59.372,  24.629, -42.928)  ( 59.398,  24.633, -42.922)  ( 0.04,  0.02,  0.01)
163:     bond    ( 64.561,   5.165, -19.507)  ( 64.586,   5.165, -19.505)  ( 0.04,  0.01,  0.01)
163:     angle   (-12.918,  24.858, -36.193)  (-12.918,  24.862, -36.190)  ( 0.00,  0.01,  0.01)
163:     torsion (  0.060,   0.650,   0.370)  (  0.060,   0.650,   0.370)  ( 0.00,  0.01,  0.00)
163:     vdw     (  7.669,  -6.044,  12.403)  (  7.669,  -6.044,  12.403)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 52       (-30.314, -16.291, -76.443)  (-30.304, -16.282, -76.426)  ( 0.03,  0.06,  0.02)
163:     bond    (-39.923, -37.279, -58.542)  (-39.916, -37.273, -58.527)  ( 0.02,  0.02,  0.03)
163:     angle   ( 10.108,  21.559, -20.629)  ( 10.111,  21.562, -20.628)  ( 0.03,  0.01,  0.01)
163:     torsion (  0.298,  -0.200,  -0.076)  (  0.298,  -0.200,  -0.076)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.797,  -0.372,   2.804)  ( -0.797,  -0.372,   2.804)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 53       ( 94.650,  84.772, 119.505)  ( 94.656,  84.803, 119.509)  ( 0.01,  0.04,  0.00)
163:     bond    (  2.433, -20.470,   2.878)  (  2.434, -20.442,   2.879)  ( 0.01,  0.14,  0.02)
163:     angle   ( 34.810,   5.798,  11.741)  ( 34.814,   5.798,  11.742)  ( 0.01,  0.00,  0.01)
163:     torsion (  1.481,  -0.354,  -3.766)  (  1.481,  -0.354,  -3.765)  ( 0.01,  0.00,  0.01)
163:     vdw     ( 58.022, 100.394, 109.595)  ( 58.023, 100.397, 109.597)  ( 0.00,  0.00,  0.00)
163:     electro ( -2.096,  -0.597,  -0.943)  ( -2.096,  -0.597,  -0.943)  ( 0.00,  0.00,  0.00)
163: 54       (-23.064, -68.758,  -2.726)  (-23.057, -68.733,  -2.722)  ( 0.03,  0.04,  0.16)
163:     bond    (-23.826, -68.424,  -3.381)  (-23.823, -68.399,  -3.381)  ( 0.01,  0.04,  0.01)
163:     angle   ( -0.162,   0.040,   0.306)  ( -0.159,   0.040,   0.310)  ( 0.05,  0.00,  0.12)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.924,  -0.373,   0.349)  (  0.924,  -0.373,   0.349)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 55       (-40.151,  26.871,  56.321)  (-40.140,  26.881,  56.334)  ( 0.03,  0.04,  0.02)
163:     bond    (-43.020,  38.071,  45.501)  (-43.010,  38.079,  45.512)  ( 0.02,  0.02,  0.02)
163:     angle   (  0.667, -12.551,  11.129)  (  0.669, -12.548,  11.131)  ( 0.14,  0.02,  0.02)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.201,   1.351,  -0.308)  (  2.201,   1.351,  -0.308)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 56       (  7.916,  16.915, -72.081)  (  7.920,  16.924, -72.056)  ( 0.04,  0.05,  0.03)
163:     bond    ( -1.004,  29.140, -67.460)  ( -1.003,  29.145, -67.436)  ( 0.03,  0.02,  0.03)
163:     angle   (  7.515, -13.544,  -5.964)  (  7.518, -13.541,  -5.964)  ( 0.04,  0.02,  0.01)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  1.405,   1.320,   1.344)  (  1.405,   1.320,   1.344)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 57       ( 26.171, -61.282, -57.916)  ( 26.175, -61.262, -57.905)  ( 0.02,  0.03,  0.02)
163:     bond    (  4.936, -71.331, -49.618)  (  4.937, -71.313, -49.608)  ( 0.01,  0.03,  0.02)
163:     angle   ( 21.633,  10.213, -12.532)  ( 21.637,  10.214, -12.530)  ( 0.02,  0.01,  0.01)
163:     torsion (  1.202,  -0.052,   0.194)  (  1.202,  -0.052,   0.194)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -1.601,  -0.112,   4.039)  ( -1.601,  -0.112,   4.039)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 58       ( 76.270,  22.941, -23.323)  ( 76.292,  22.950, -23.319)  ( 0.03,  0.04,  0.02)
163:     bond    ( 71.291,  39.669,  -8.011)  ( 71.312,  39.676,  -8.010)  ( 0.03,  0.02,  0.01)
163:     angle   (  7.268, -17.136, -20.161)  (  7.269, -17.134, -20.158)  ( 0.01,  0.01,  0.02)
163:     torsion (  0.113,  -0.215,  -0.061)  (  0.113,  -0.215,  -0.061)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.401,   0.624,   4.911)  ( -2.401,   0.624,   4.911)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 59       (-63.192, -63.428,  16.181)  (-63.170, -63.418,  16.184)  ( 0.03,  0.02,  0.02)
163:     bond    (-78.176, -47.083,   7.956)  (-78.155, -47.075,   7.957)  ( 0.03,  0.02,  0.01)
163:     angle   ( 13.238, -20.310,   9.894)  ( 13.239, -20.308,   9.897)  ( 0.01,  0.01,  0.03)
163:     torsion ( -0.006,  -0.084,  -0.554)  ( -0.006,  -0.083,  -0.554)  ( 0.00,  0.00,  0.01)
163:     vdw     (  1.752,   4.048,  -1.116)  (  1.752,   4.048,  -1.116)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 60       ( 51.337, -71.320,  31.040)  ( 51.354, -71.307,  31.045)  ( 0.03,  0.02,  0.02)
163:     bond    ( 69.756, -57.600,  27.076)  ( 69.771, -57.589,  27.078)  ( 0.02,  0.02,  0.01)
163:     angle   (-15.014, -15.981,   4.697)  (-15.013, -15.979,   4.699)  ( 0.01,  0.01,  0.05)
163:     torsion ( -2.419,  -2.372,   1.187)  ( -2.419,  -2.372,   1.187)  ( 0.01,  0.01,  0.01)
163:     vdw     ( -0.986,   4.632,  -1.920)  ( -0.986,   4.633,  -1.920)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 61       ( -9.231,   4.667,  82.357)  ( -9.227,   4.672,  82.383)  ( 0.05,  0.12,  0.03)
163:     bond    ( -7.198, -23.032,  75.880)  ( -7.197, -23.029,  75.906)  ( 0.01,  0.01,  0.03)
163:     angle   ( -4.131,  30.637,   8.904)  ( -4.128,  30.641,   8.905)  ( 0.09,  0.01,  0.00)
163:     torsion (  1.717,  -0.060,   0.145)  (  1.717,  -0.060,   0.145)  ( 0.01,  0.00,  0.00)
163:     vdw     (  0.381,  -2.879,  -2.572)  (  0.381,  -2.879,  -2.572)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 62       ( 55.671,  56.605,  11.335)  ( 55.692,  56.616,  11.339)  ( 0.04,  0.02,  0.04)
163:     bond    ( 65.302,  42.165,  -5.964)  ( 65.321,  42.173,  -5.964)  ( 0.03,  0.02,  0.01)
163:     angle   ( -9.206,  17.304,  21.554)  ( -9.205,  17.306,  21.558)  ( 0.01,  0.01,  0.02)
163:     torsion ( -0.690,   0.900,  -1.189)  ( -0.690,   0.900,  -1.189)  ( 0.00,  0.00,  0.01)
163:     vdw     (  0.266,  -3.764,  -3.067)  (  0.266,  -3.764,  -3.066)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 63       (-52.640,  58.487,  10.669)  (-52.622,  58.499,  10.674)  ( 0.03,  0.02,  0.05)
163:     bond    (-57.918,  44.816, -15.152)  (-57.901,  44.826, -15.150)  ( 0.03,  0.02,  0.01)
163:     angle   (  6.047,  18.030,  30.234)  (  6.048,  18.032,  30.238)  ( 0.03,  0.01,  0.01)
163:     torsion ( -1.141,  -1.037,   1.293)  ( -1.141,  -1.037,   1.293)  ( 0.00,  0.00,  0.01)
163:     vdw     (  0.372,  -3.322,  -5.707)  (  0.372,  -3.322,  -5.706)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 36 # gradients 
163: 1..36
195/208 Test #163: test_ffghemical_1 ................   Passed    2.39 sec
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 57       ( -0.222,  -0.711,   1.702)  ( -0.221,  -0.708,   1.703)  ( 0.02,  0.16,  0.07)
164:     bond    ( -1.423,  -3.015,   1.849)  ( -1.423,  -3.013,   1.849)  ( 0.03,  0.07,  0.04)
164:     angle   (  1.191,  -0.586,  -0.038)  (  1.192,  -0.586,  -0.038)  ( 0.04,  0.01,  0.00)
164:     strbnd  (  0.927,   0.636,  -0.840)  (  0.927,   0.636,  -0.840)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.670,   0.208,   0.854)  (  0.670,   0.208,   0.854)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.587,   2.046,  -0.123)  ( -1.587,   2.046,  -0.123)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 58       ( -1.065,  -1.279,  -1.213)  ( -1.063,  -1.277,  -1.212)  ( 0.14,  0.19,  0.05)
164:     bond    ( -0.341,   0.461,   0.108)  ( -0.340,   0.463,   0.108)  ( 0.04,  0.10,  0.00)
164:     angle   ( -2.386,  -1.529,  -0.965)  ( -2.386,  -1.529,  -0.964)  ( 0.01,  0.01,  0.04)
164:     strbnd  ( -0.455,  -0.647,  -0.480)  ( -0.455,  -0.647,  -0.480)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.014,   0.020,  -0.041)  (  0.014,   0.020,  -0.041)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.104,   0.416,   0.164)  (  2.104,   0.416,   0.164)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 59       ( -1.070,  -1.140,  -0.343)  ( -1.069,  -1.138,  -0.342)  ( 0.10,  0.20,  0.03)
164:     bond    ( -1.369,  -2.487,   1.248)  ( -1.368,  -2.484,   1.248)  ( 0.05,  0.09,  0.04)
164:     angle   ( -1.624,   0.072,  -1.636)  ( -1.623,   0.072,  -1.636)  ( 0.03,  0.00,  0.03)
164:     strbnd  ( -0.372,   0.804,  -0.765)  ( -0.372,   0.804,  -0.765)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.290,   0.448,   0.574)  ( -0.290,   0.448,   0.574)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.584,   0.022,   0.237)  (  2.584,   0.022,   0.237)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 60       ( -0.358,  -1.910,  -0.423)  ( -0.357,  -1.909,  -0.420)  ( 0.02,  0.03,  0.14)
164:     bond    (  0.061,  -0.358,  -2.470)  (  0.061,  -0.358,  -2.467)  ( 0.00,  0.00,  0.13)
164:     angle   ( -2.334,  -1.222,   0.119)  ( -2.334,  -1.222,   0.119)  ( 0.02,  0.04,  0.00)
164:     strbnd  ( -0.879,   0.068,   0.565)  ( -0.879,   0.068,   0.565)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.016,  -0.218,   0.032)  (  0.016,  -0.218,   0.032)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.778,  -0.179,   1.331)  (  2.778,  -0.179,   1.331)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 61       ( -1.170,  -0.189,   0.037)  ( -1.168,  -0.188,   0.038)  ( 0.25,  0.01,  0.00)
164:     bond    ( -0.428,  -0.103,  -0.175)  ( -0.426,  -0.103,  -0.175)  ( 0.12,  0.00,  0.01)
164:     angle   ( -0.331,  -3.245,   2.709)  ( -0.331,  -3.244,   2.710)  ( 0.00,  0.01,  0.02)
164:     strbnd  ( -0.890,  -0.655,   0.505)  ( -0.890,  -0.655,   0.505)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.146,   0.349,   0.151)  ( -0.146,   0.349,   0.152)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.626,   3.464,  -3.153)  (  0.626,   3.464,  -3.153)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 62       ( -1.757,   0.318,   0.260)  ( -1.756,   0.322,   0.261)  ( 0.03,  0.11,  0.02)
164:     bond    (  0.021,   0.242,  -0.008)  (  0.021,   0.246,  -0.008)  ( 0.00,  0.08,  0.00)
164:     angle   (  2.576,  -0.098,   3.676)  (  2.576,  -0.098,   3.677)  ( 0.02,  0.00,  0.01)
164:     strbnd  (  0.261,   0.641,   0.904)  (  0.261,   0.642,   0.904)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.156,  -0.106,  -0.183)  (  1.156,  -0.106,  -0.183)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.770,  -0.362,  -4.129)  ( -5.770,  -0.362,  -4.129)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 63       ( -1.163,   0.855,  -0.571)  ( -1.161,   0.856,  -0.570)  ( 0.16,  0.08,  0.09)
164:     bond    ( -1.786,   1.024,   1.583)  ( -1.785,   1.024,   1.584)  ( 0.09,  0.05,  0.08)
164:     angle   (  0.428,  -0.094,   0.542)  (  0.428,  -0.094,   0.543)  ( 0.01,  0.00,  0.02)
164:     strbnd  (  0.673,  -0.673,   0.446)  (  0.673,  -0.673,   0.446)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.227,  -0.276,  -0.077)  ( -0.227,  -0.276,  -0.077)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.250,   0.874,  -3.065)  ( -0.250,   0.874,  -3.065)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 64       (  0.790,  -0.989,   0.790)  (  0.793,  -0.989,   0.791)  ( 0.25,  0.06,  0.06)
164:     bond    (  0.666,   0.107,  -0.162)  (  0.670,   0.108,  -0.162)  ( 0.21,  0.00,  0.00)
164:     angle   ( -0.821,  -2.989,  -5.388)  ( -0.821,  -2.989,  -5.387)  ( 0.00,  0.02,  0.01)
164:     strbnd  ( -1.303,  -0.763,  -0.758)  ( -1.303,  -0.763,  -0.758)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.159,  -0.563,   0.283)  (  0.159,  -0.563,   0.283)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.089,   3.218,   6.815)  (  2.089,   3.218,   6.815)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 65       (  1.612,   1.583,  -0.244)  (  1.613,   1.584,  -0.242)  ( 0.09,  0.07,  0.05)
164:     bond    ( -0.305,   0.226,  -0.426)  ( -0.304,   0.227,  -0.424)  ( 0.03,  0.01,  0.08)
164:     angle   (  3.626,  -2.262,  -3.808)  (  3.626,  -2.262,  -3.808)  ( 0.01,  0.02,  0.01)
164:     strbnd  (  0.994,  -1.017,  -0.192)  (  0.994,  -1.017,  -0.192)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.256,   0.264,  -0.043)  (  0.256,   0.264,  -0.043)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.959,   4.372,   4.225)  ( -2.958,   4.372,   4.225)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 66       ( -1.078,   0.552,  -0.760)  ( -1.078,   0.556,  -0.759)  ( 0.06,  0.19,  0.05)
164:     bond    (  0.016,   0.113,   0.003)  (  0.016,   0.116,   0.003)  ( 0.00,  0.04,  0.00)
164:     angle   (  2.563,  -0.264,  -3.412)  (  2.563,  -0.264,  -3.411)  ( 0.02,  0.00,  0.02)
164:     strbnd  (  0.510,   0.950,  -1.109)  (  0.510,   0.950,  -1.109)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.450,   0.067,  -0.151)  ( -0.450,   0.067,  -0.151)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.718,  -0.314,   3.909)  ( -3.717,  -0.314,   3.909)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 67       (  0.335,   0.250,   0.082)  (  0.336,   0.253,   0.082)  ( 0.02,  0.08,  0.00)
164:     bond    (  0.214,  -2.095,   0.090)  (  0.214,  -2.092,   0.090)  ( 0.00,  0.16,  0.00)
164:     angle   (  1.574,   0.246,   1.978)  (  1.575,   0.246,   1.979)  ( 0.04,  0.00,  0.03)
164:     strbnd  ( -0.777,   1.004,   0.844)  ( -0.777,   1.004,   0.844)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.181,  -0.026,  -1.050)  (  0.181,  -0.026,  -1.050)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.857,   1.121,  -1.781)  ( -0.857,   1.121,  -1.781)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 68       (  0.121,   0.190,   0.044)  (  0.122,   0.191,   0.047)  ( 0.01,  0.02,  0.01)
164:     bond    ( -0.946,   0.945,   2.916)  ( -0.946,   0.945,   2.919)  ( 0.03,  0.03,  0.09)
164:     angle   (  2.086,  -0.263,   0.761)  (  2.086,  -0.263,   0.761)  ( 0.03,  0.01,  0.01)
164:     strbnd  (  0.013,  -1.433,  -0.930)  (  0.013,  -1.433,  -0.930)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.192,  -1.114,   0.423)  (  0.192,  -1.114,   0.423)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.224,   2.055,  -3.126)  ( -1.224,   2.055,  -3.126)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 69       (  0.670,   0.306,   0.584)  (  0.671,   0.308,   0.587)  ( 0.08,  0.04,  0.14)
164:     bond    ( -0.089,   0.102,   0.156)  ( -0.088,   0.103,   0.158)  ( 0.01,  0.01,  0.03)
164:     angle   (  0.439,  -2.980,   2.180)  (  0.440,  -2.979,   2.180)  ( 0.02,  0.02,  0.01)
164:     strbnd  (  0.329,   0.312,   1.723)  (  0.329,   0.312,   1.723)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.972,  -0.601,   0.932)  (  0.972,  -0.601,   0.933)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.982,   3.473,  -4.407)  ( -0.982,   3.473,  -4.407)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 70       (  0.106,   0.582,   0.566)  (  0.107,   0.583,   0.568)  ( 0.02,  0.04,  0.13)
164:     bond    (  1.818,  -0.560,   2.482)  (  1.819,  -0.560,   2.484)  ( 0.06,  0.01,  0.08)
164:     angle   ( -0.401,  -1.568,  -0.060)  ( -0.400,  -1.567,  -0.060)  ( 0.01,  0.04,  0.00)
164:     strbnd  ( -0.251,  -0.339,  -2.165)  ( -0.251,  -0.339,  -2.165)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.175,   0.745,   1.028)  ( -1.175,   0.745,   1.028)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.115,   2.304,  -0.719)  (  0.115,   2.304,  -0.719)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 71       (  0.738,   0.197,   0.250)  (  0.741,   0.198,   0.251)  ( 0.20,  0.02,  0.02)
164:     bond    (  1.848,   0.749,  -0.682)  (  1.850,   0.749,  -0.682)  ( 0.14,  0.03,  0.02)
164:     angle   ( -0.676,  -2.968,  -5.094)  ( -0.676,  -2.967,  -5.094)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( -1.187,  -1.166,  -0.503)  ( -1.187,  -1.166,  -0.503)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.213,  -0.324,   0.223)  (  0.213,  -0.324,   0.223)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.541,   3.906,   6.307)  (  0.541,   3.906,   6.307)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 72       (  0.699,   1.329,  -0.078)  (  0.701,   1.330,  -0.076)  ( 0.13,  0.05,  0.02)
164:     bond    ( -0.821,   0.235,  -0.916)  ( -0.820,   0.235,  -0.914)  ( 0.12,  0.00,  0.17)
164:     angle   (  3.757,  -0.301,  -3.447)  (  3.757,  -0.301,  -3.447)  ( 0.01,  0.01,  0.01)
164:     strbnd  (  1.187,  -0.802,  -0.115)  (  1.187,  -0.802,  -0.115)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.090,  -0.149,   0.042)  ( -0.090,  -0.149,   0.042)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.334,   2.346,   4.357)  ( -3.333,   2.346,   4.357)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 73       ( -0.259,   0.501,  -0.385)  ( -0.258,   0.505,  -0.385)  ( 0.01,  0.17,  0.02)
164:     bond    ( -0.024,   0.218,  -0.017)  ( -0.024,   0.221,  -0.017)  ( 0.00,  0.07,  0.00)
164:     angle   (  2.747,   0.023,  -3.607)  (  2.748,   0.023,  -3.606)  ( 0.02,  0.00,  0.02)
164:     strbnd  (  0.214,   0.580,  -1.173)  (  0.214,   0.580,  -1.173)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.122,  -0.015,  -0.032)  ( -0.122,  -0.015,  -0.032)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.075,  -0.304,   4.442)  ( -3.075,  -0.304,   4.443)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 74       (  0.198,   2.184,  -1.550)  (  0.200,   2.185,  -1.547)  ( 0.04,  0.04,  0.23)
164:     bond    ( -0.028,  -0.019,  -0.043)  ( -0.027,  -0.018,  -0.040)  ( 0.00,  0.00,  0.01)
164:     angle   (  2.217,   0.907,  -1.911)  (  2.217,   0.907,  -1.911)  ( 0.01,  0.00,  0.01)
164:     strbnd  (  0.644,   0.343,   0.113)  (  0.644,   0.343,   0.113)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.820,   1.602,  -0.191)  ( -0.820,   1.602,  -0.191)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.896,  -0.668,   0.650)  ( -1.896,  -0.668,   0.650)  ( 0.00,  0.00,  0.00)
164:     electro (  0.081,   0.018,  -0.168)  (  0.081,   0.018,  -0.168)  ( 0.00,  0.00,  0.00)
164: ok 22 # gradients 
164: ok 23 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
164:  1       ( -0.188,  -0.096,  -0.051)  ( -0.199,  -0.052,  -0.005)  ( 0.20,  0.42,  0.24)
164:     bond    (  6.718,   6.276,  -0.511)  (  6.723,   6.283,  -0.510)  ( 0.07,  0.11,  0.05)
164:     angle   (  7.350,   2.161,   1.524)  (  7.352,   2.163,   1.524)  ( 0.02,  0.08,  0.00)
164:     strbnd  ( -5.562,  -3.003,  -0.620)  ( -5.562,  -3.004,  -0.620)  ( 0.00,  0.02,  0.00)
164:     torsion (  0.209,  -0.213,  -0.135)  (  0.209,  -0.213,  -0.134)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.102,  -0.210,  -0.295)  (  0.085,  -0.175,  -0.250)  ( 0.17,  0.74,  1.31)
164:     vdw     ( -9.274,  -5.085,  -0.061)  ( -9.274,  -5.085,  -0.061)  ( 0.00,  0.00,  0.00)
164:     electro (  0.268,  -0.021,   0.047)  (  0.268,  -0.021,   0.047)  ( 0.00,  0.00,  0.00)
164:  2       ( -0.091,  -0.060,  -0.056)  ( -0.090,  -0.044,  -0.030)  ( 0.01,  0.09,  0.14)
164:     bond    (  5.859,  -4.939,   3.180)  (  5.864,  -4.931,   3.182)  ( 0.09,  0.16,  0.04)
164:     angle   ( -5.582,   0.865,  -2.937)  ( -5.580,   0.867,  -2.937)  ( 0.03,  0.13,  0.01)
164:     strbnd  (  3.439,  -2.665,   1.582)  (  3.438,  -2.666,   1.582)  ( 0.02,  0.03,  0.00)
164:     torsion ( -0.645,   0.747,   3.059)  ( -0.645,   0.747,   3.060)  ( 0.01,  0.01,  0.04)
164:     oop     (  0.034,  -0.042,  -0.149)  (  0.029,  -0.036,  -0.126)  ( 0.02,  0.03,  0.35)
164:     vdw     ( -3.802,   4.778,  -4.508)  ( -3.801,   4.778,  -4.508)  ( 0.01,  0.00,  0.00)
164:     electro (  0.606,   1.196,  -0.282)  (  0.606,   1.196,  -0.282)  ( 0.00,  0.00,  0.00)
164:  3       (  0.200,  -0.018,  -0.182)  (  0.192,  -0.006,  -0.027)  ( 0.16,  0.02,  2.83)
164:     bond    (  8.537,   8.504,   0.695)  (  8.543,   8.515,   0.695)  ( 0.06,  0.14,  0.00)
164:     angle   (-28.587,  -3.313,  -5.216)  (-28.584,  -3.311,  -5.216)  ( 0.01,  0.05,  0.00)
164:     strbnd  ( 13.895,   1.569,   1.674)  ( 13.894,   1.567,   1.674)  ( 0.01,  0.12,  0.00)
164:     torsion ( -0.070,   0.291,  -0.883)  ( -0.070,   0.291,  -0.883)  ( 0.00,  0.00,  0.04)
164:     oop     (  0.085,  -0.003,  -0.855)  (  0.070,  -0.003,  -0.700)  ( 0.13,  0.00, 13.23)
164:     vdw     ( -3.152,  -1.167,  -0.567)  ( -3.152,  -1.167,  -0.567)  ( 0.00,  0.00,  0.00)
164:     electro (  9.492,  -5.898,   4.971)  (  9.492,  -5.898,   4.971)  ( 0.00,  0.00,  0.00)
164:  4       (  0.068,   0.192,   0.159)  (  0.107,   0.130,  -0.008)  ( 0.27,  1.19,  2.64)
164:     bond    (  5.784,   6.960,  -1.839)  (  5.788,   6.969,  -1.837)  ( 0.07,  0.13,  0.11)
164:     angle   (  0.982, -10.064,   4.762)  (  0.983, -10.062,   4.762)  ( 0.17,  0.02,  0.00)
164:     strbnd  (  2.113,   6.313,  -2.390)  (  2.113,   6.312,  -2.391)  ( 0.01,  0.02,  0.01)
164:     torsion (  0.211,  -0.053,  -0.431)  (  0.211,  -0.052,  -0.430)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.201,   0.426,   1.012)  ( -0.167,   0.355,   0.843)  ( 0.68,  3.05, 16.69)
164:     vdw     ( -0.575,  -5.329,   2.147)  ( -0.575,  -5.329,   2.147)  ( 0.00,  0.00,  0.00)
164:     electro ( -8.246,   1.938,  -3.102)  ( -8.246,   1.938,  -3.102)  ( 0.00,  0.00,  0.00)
164:  5       ( -0.011,  -0.146,  -0.052)  ( -0.021,  -0.112,   0.008)  ( 0.01,  0.49,  0.32)
164:     bond    (  0.169,   6.053,  -2.652)  (  0.169,   6.060,  -2.651)  ( 0.00,  0.13,  0.06)
164:     angle   ( -0.570,  -0.029,  -0.102)  ( -0.569,  -0.029,  -0.102)  ( 0.04,  0.00,  0.00)
164:     strbnd  ( -0.449,  -0.737,   0.244)  ( -0.449,  -0.737,   0.244)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.351,  -0.798,  -1.802)  (  0.351,  -0.798,  -1.802)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.063,  -0.144,  -0.325)  (  0.052,  -0.118,  -0.265)  ( 0.07,  0.38,  1.92)
164:     vdw     ( -5.042,  -4.784,   2.331)  ( -5.041,  -4.784,   2.331)  ( 0.00,  0.00,  0.00)
164:     electro (  5.466,   0.293,   2.253)  (  5.466,   0.293,   2.253)  ( 0.00,  0.00,  0.00)
164:  6       (  0.048,  -0.085,  -0.062)  (  0.044,  -0.054,   0.004)  ( 0.02,  0.27,  0.41)
164:     bond    ( -0.057,   4.697,  -1.723)  ( -0.052,   4.701,  -1.723)  ( 0.03,  0.10,  0.04)
164:     angle   (  6.722,   9.815,  -3.104)  (  6.724,   9.816,  -3.104)  ( 0.03,  0.02,  0.00)
164:     strbnd  ( -8.096,  -2.087,  -0.459)  ( -8.096,  -2.087,  -0.459)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.110,   0.259,   0.519)  ( -0.110,   0.259,   0.520)  ( 0.00,  0.00,  0.06)
164:     oop     (  0.071,  -0.161,  -0.404)  (  0.060,  -0.136,  -0.340)  ( 0.08,  0.40,  2.58)
164:     vdw     (  1.049, -12.118,   4.931)  (  1.049, -12.118,   4.931)  ( 0.03,  0.00,  0.00)
164:     electro (  0.469,  -0.490,   0.178)  (  0.469,  -0.490,   0.178)  ( 0.00,  0.00,  0.00)
164:  7       (  0.011,   0.004,  -0.004)  (  0.016,   0.016,   0.020)  ( 0.01,  0.00,  0.01)
164:     bond    (  3.349,  -0.633,   0.565)  (  3.354,  -0.629,   0.566)  ( 0.16,  0.29,  0.05)
164:     angle   ( -2.010,  -5.848,   0.374)  ( -2.008,  -5.846,   0.374)  ( 0.11,  0.04,  0.01)
164:     strbnd  ( -0.379,  -1.736,   0.181)  ( -0.380,  -1.737,   0.181)  ( 0.03,  0.03,  0.00)
164:     torsion ( -0.325,   0.273,   1.507)  ( -0.325,   0.273,   1.508)  ( 0.00,  0.00,  0.09)
164:     oop     (  0.017,  -0.034,  -0.134)  (  0.015,  -0.028,  -0.112)  ( 0.00,  0.02,  0.29)
164:     vdw     ( -0.926,   8.721,  -2.733)  ( -0.925,   8.721,  -2.733)  ( 0.03,  0.00,  0.00)
164:     electro (  0.284,  -0.738,   0.237)  (  0.284,  -0.738,   0.237)  ( 0.00,  0.00,  0.00)
164:  8       ( -0.038,  -0.007,  -0.024)  ( -0.033,   0.006,  -0.005)  ( 0.02,  0.01,  0.05)
164:     bond    ( -2.335,  12.424,  -4.470)  ( -2.330,  12.429,  -4.470)  ( 0.23,  0.04,  0.02)
164:     angle   ( -1.627,  -0.904,   0.021)  ( -1.626,  -0.902,   0.021)  ( 0.10,  0.16,  0.00)
164:     strbnd  ( -5.052,  -1.205,  -0.263)  ( -5.052,  -1.206,  -0.263)  ( 0.00,  0.01,  0.00)
164:     torsion ( -0.060,   0.134,   0.425)  ( -0.060,   0.134,   0.426)  ( 0.00,  0.00,  0.05)
164:     oop     (  0.013,  -0.035,  -0.105)  (  0.011,  -0.030,  -0.088)  ( 0.00,  0.02,  0.18)
164:     vdw     (  6.553, -10.647,   4.170)  (  6.553, -10.647,   4.170)  ( 0.00,  0.00,  0.00)
164:     electro (  2.471,   0.227,   0.198)  (  2.471,   0.227,   0.198)  ( 0.00,  0.00,  0.00)
164:  9       (  0.068,   0.165,   0.082)  (  0.096,   0.132,  -0.033)  ( 0.19,  0.54,  0.94)
164:     bond    (  7.584,  -6.522,   1.280)  (  7.590,  -6.517,   1.281)  ( 0.08,  0.07,  0.06)
164:     angle   ( -6.868,  -3.074,   6.963)  ( -6.866,  -3.072,   6.964)  ( 0.03,  0.07,  0.01)
164:     strbnd  ( -1.384,   3.697,  -1.135)  ( -1.385,   3.696,  -1.136)  ( 0.05,  0.02,  0.01)
164:     torsion (  0.914,  -1.383,  -5.636)  (  0.914,  -1.383,  -5.635)  ( 0.00,  0.01,  0.01)
164:     oop     ( -0.133,   0.235,   0.708)  ( -0.112,   0.195,   0.591)  ( 0.28,  0.92,  8.29)
164:     vdw     ( -1.168,   4.392,  -3.048)  ( -1.168,   4.393,  -3.048)  ( 0.00,  0.00,  0.00)
164:     electro (  1.123,   2.820,   0.950)  (  1.123,   2.820,   0.950)  ( 0.00,  0.00,  0.00)
164: 10       ( -0.080,  -0.040,  -0.026)  ( -0.075,  -0.026,  -0.009)  ( 0.04,  0.06,  0.05)
164:     bond    (  2.250, -21.552,   7.812)  (  2.255, -21.547,   7.813)  ( 0.22,  0.02,  0.01)
164:     angle   (  0.157,  10.838,  -3.791)  (  0.158,  10.840,  -3.791)  ( 0.02,  0.02,  0.01)
164:     strbnd  ( -4.774,   3.240,  -1.394)  ( -4.774,   3.239,  -1.394)  ( 0.00,  0.01,  0.00)
164:     torsion ( -0.412,   1.059,   3.327)  ( -0.412,   1.059,   3.328)  ( 0.00,  0.02,  0.04)
164:     oop     (  0.001,  -0.020,  -0.019)  ( -0.000,  -0.013,  -0.004)  ( 0.00,  0.01,  0.03)
164:     vdw     (  1.632,   4.936,  -5.898)  (  1.632,   4.937,  -5.898)  ( 0.01,  0.01,  0.00)
164:     electro (  1.066,   1.459,  -0.063)  (  1.066,   1.459,  -0.063)  ( 0.00,  0.00,  0.00)
164: 11       (  0.070,  -0.162,  -0.073)  (  0.027,  -0.066,   0.009)  ( 0.31,  1.57,  0.61)
164:     bond    (-16.382,  -5.258,  -0.908)  (-16.377,  -5.253,  -0.907)  ( 0.03,  0.09,  0.07)
164:     angle   (-11.115,   1.090,   2.569)  (-11.112,   1.092,   2.569)  ( 0.02,  0.19,  0.01)
164:     strbnd  ( 22.133,   1.950,   2.757)  ( 22.132,   1.949,   2.757)  ( 0.00,  0.03,  0.00)
164:     torsion ( -0.093,   0.026,  -1.627)  ( -0.093,   0.026,  -1.626)  ( 0.00,  0.00,  0.06)
164:     oop     (  0.396,  -0.643,  -0.208)  (  0.346,  -0.553,  -0.127)  ( 2.00,  5.78,  1.67)
164:     vdw     (  4.671,   2.284,  -2.768)  (  4.672,   2.284,  -2.768)  ( 0.00,  0.00,  0.00)
164:     electro (  0.459,   0.390,   0.111)  (  0.459,   0.390,   0.111)  ( 0.00,  0.00,  0.00)
164: 12       ( -0.002,   0.033,   0.022)  (  0.002,   0.028,  -0.000)  ( 0.00,  0.02,  0.05)
164:     bond    ( -0.083,  -1.551,   0.585)  ( -0.083,  -1.548,   0.586)  ( 0.00,  0.21,  0.03)
164:     angle   ( -2.409,   0.039,  -0.237)  ( -2.408,   0.039,  -0.237)  ( 0.03,  0.00,  0.00)
164:     strbnd  (  0.317,   2.635,  -1.018)  (  0.317,   2.635,  -1.018)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.335,   0.971,   2.518)  ( -0.335,   0.971,   2.518)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.020,   0.060,   0.155)  ( -0.017,   0.051,   0.132)  ( 0.01,  0.05,  0.36)
164:     vdw     (  1.947,  -0.339,  -2.146)  (  1.947,  -0.339,  -2.146)  ( 0.01,  0.00,  0.00)
164:     electro (  0.582,  -1.781,   0.164)  (  0.582,  -1.781,   0.164)  ( 0.00,  0.00,  0.00)
164: 13       ( -0.131,   0.117,   0.103)  ( -0.105,   0.076,  -0.037)  ( 0.34,  0.47,  1.45)
164:     bond    (-10.578,  16.134,  -6.570)  (-10.572,  16.139,  -6.569)  ( 0.06,  0.03,  0.01)
164:     angle   (  3.774,  -9.877,   3.575)  (  3.776,  -9.875,   3.575)  ( 0.06,  0.02,  0.00)
164:     strbnd  (  6.607,   8.014,  -1.786)  (  6.607,   8.014,  -1.786)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.139,  -0.606,  -1.888)  (  0.139,  -0.606,  -1.887)  ( 0.00,  0.01,  0.06)
164:     oop     ( -0.104,   0.267,   0.810)  ( -0.086,   0.220,   0.668)  ( 0.18,  1.25, 11.54)
164:     vdw     (  2.473, -10.532,   5.124)  (  2.473, -10.532,   5.124)  ( 0.01,  0.00,  0.00)
164:     electro ( -2.443,  -3.284,   0.838)  ( -2.443,  -3.284,   0.838)  ( 0.00,  0.00,  0.00)
164: 14       ( -0.003,   0.005,   0.001)  ( -0.002,   0.008,  -0.001)  ( 0.00,  0.00,  0.00)
164:     bond    (  0.027,   1.931,  -0.640)  (  0.027,   1.934,  -0.640)  ( 0.00,  0.18,  0.02)
164:     angle   ( -2.454,  -0.061,  -0.290)  ( -2.454,  -0.061,  -0.290)  ( 0.03,  0.00,  0.00)
164:     strbnd  ( -0.157,  -0.599,   0.177)  ( -0.157,  -0.599,   0.177)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.008,  -0.021,  -0.062)  (  0.008,  -0.021,  -0.062)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.002,   0.005,   0.014)  ( -0.001,   0.004,   0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.894,  -1.054,   0.744)  (  3.894,  -1.054,   0.744)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.319,  -0.195,   0.058)  ( -1.319,  -0.195,   0.058)  ( 0.00,  0.00,  0.00)
164: 15       (  0.084,  -0.049,   0.001)  (  0.085,  -0.040,   0.023)  ( 0.00,  0.04,  0.00)
164:     bond    (  0.221,  -0.141,   0.077)  (  0.224,  -0.139,   0.077)  ( 0.07,  0.02,  0.00)
164:     angle   (  4.781,   6.809,  -1.605)  (  4.781,   6.810,  -1.605)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -0.896,   1.110,  -0.480)  ( -0.896,   1.110,  -0.480)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.065,  -0.159,  -0.479)  (  0.065,  -0.159,  -0.479)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.019,  -0.046,  -0.139)  (  0.016,  -0.039,  -0.117)  ( 0.01,  0.03,  0.30)
164:     vdw     ( -4.637,  -7.161,   2.713)  ( -4.637,  -7.161,   2.713)  ( 0.00,  0.00,  0.00)
164:     electro (  0.531,  -0.461,  -0.087)  (  0.531,  -0.461,  -0.087)  ( 0.00,  0.00,  0.00)
164: 16       ( -0.036,   0.120,  -0.185)  (  0.001,   0.011,   0.028)  ( 0.13,  1.30,  3.96)
164:     bond    ( 11.932,   3.001,  15.852)  ( 11.937,   3.005,  15.854)  ( 0.04,  0.13,  0.01)
164:     angle   ( 23.478,  14.321,  -5.626)  ( 23.480,  14.322,  -5.625)  ( 0.01,  0.01,  0.02)
164:     strbnd  (-17.338, -10.628,  -0.306)  (-17.339, -10.629,  -0.306)  ( 0.01,  0.01,  0.01)
164:     torsion (  2.457,  -3.717,  -2.036)  (  2.457,  -3.717,  -2.036)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.175,   1.180,  -2.156)  ( -0.144,   1.066,  -1.945)  ( 0.54,  9.63,  9.80)
164:     vdw     ( -3.584,  -3.576,   0.274)  ( -3.584,  -3.576,   0.274)  ( 0.00,  0.00,  0.00)
164:     electro (-16.806,  -0.461,  -6.188)  (-16.806,  -0.461,  -6.188)  ( 0.00,  0.00,  0.00)
164: 17       ( -0.042,  -0.053,   0.059)  ( -0.045,  -0.033,   0.101)  ( 0.01,  0.11,  0.25)
164:     bond    ( -1.611,  -0.017,   3.957)  ( -1.609,  -0.012,   3.962)  ( 0.12,  0.01,  0.12)
164:     angle   (  6.180,   1.067,  -5.100)  (  6.182,   1.069,  -5.098)  ( 0.03,  0.17,  0.04)
164:     strbnd  (  0.100,  -7.392,   3.328)  (  0.099,  -7.392,   3.327)  ( 0.00,  0.01,  0.03)
164:     torsion (  0.098,  -0.377,   0.788)  (  0.098,  -0.377,   0.788)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.041,  -0.083,  -0.211)  (  0.034,  -0.069,  -0.175)  ( 0.03,  0.12,  0.75)
164:     vdw     ( -4.964,   6.311,  -2.568)  ( -4.963,   6.311,  -2.568)  ( 0.00,  0.00,  0.00)
164:     electro (  0.114,   0.437,  -0.136)  (  0.114,   0.437,  -0.136)  ( 0.00,  0.00,  0.00)
164: 18       (  0.022,  -0.013,   0.018)  (  0.025,  -0.012,   0.017)  ( 0.01,  0.00,  0.00)
164:     bond    (  2.427,  -1.578,   1.180)  (  2.429,  -1.577,   1.181)  ( 0.09,  0.06,  0.04)
164:     angle   (  0.938,   1.300,  -0.193)  (  0.938,   1.300,  -0.193)  ( 0.02,  0.03,  0.00)
164:     strbnd  (  0.253,   0.443,  -0.086)  (  0.253,   0.443,  -0.086)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.194,   0.249,   0.730)  ( -0.194,   0.249,   0.731)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.004,   0.005,   0.016)  ( -0.004,   0.005,   0.014)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.726,   0.545,  -1.869)  ( -0.726,   0.545,  -1.869)  ( 0.01,  0.01,  0.00)
164:     electro ( -2.672,  -0.977,   0.240)  ( -2.672,  -0.977,   0.240)  ( 0.00,  0.00,  0.00)
164: 19       (  0.012,  -0.001,   0.074)  (  0.011,   0.052,   0.016)  ( 0.00,  0.01,  0.42)
164:     bond    ( 14.557,  -7.075, -16.796)  ( 14.561,  -7.071, -16.792)  ( 0.03,  0.06,  0.03)
164:     angle   ( -6.287,   1.336,   9.984)  ( -6.284,   1.338,   9.986)  ( 0.04,  0.15,  0.02)
164:     strbnd  ( -1.105,  -2.672,   1.853)  ( -1.106,  -2.672,   1.852)  ( 0.07,  0.04,  0.04)
164:     torsion ( -2.492,   2.882,  -3.676)  ( -2.492,   2.882,  -3.676)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.033,  -0.539,   0.714)  (  0.027,  -0.492,   0.651)  ( 0.02,  2.58,  4.51)
164:     vdw     ( -0.883,   6.505,   5.249)  ( -0.883,   6.505,   5.250)  ( 0.01,  0.00,  0.00)
164:     electro ( -3.811,  -0.439,   2.744)  ( -3.811,  -0.439,   2.744)  ( 0.00,  0.00,  0.00)
164: 20       ( -0.013,  -0.015,   0.097)  (  0.002,   0.007,  -0.001)  ( 0.02,  0.03,  0.95)
164:     bond    ( -3.175,  21.247,  -4.289)  ( -3.171,  21.251,  -4.285)  ( 0.12,  0.02,  0.11)
164:     angle   ( -1.211, -12.477,   2.194)  ( -1.209, -12.475,   2.196)  ( 0.17,  0.02,  0.08)
164:     strbnd  ( -3.415,  -1.229,   2.715)  ( -3.416,  -1.230,   2.715)  ( 0.04,  0.07,  0.01)
164:     torsion ( -0.125,   0.194,   3.424)  ( -0.125,   0.195,   3.424)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.155,  -0.246,   0.892)  ( -0.144,  -0.229,   0.787)  ( 0.17,  0.40,  9.32)
164:     vdw     (  9.608,  -0.387,  -5.167)  (  9.608,  -0.387,  -5.167)  ( 0.00,  0.01,  0.00)
164:     electro ( -1.539,  -7.118,   0.328)  ( -1.539,  -7.118,   0.328)  ( 0.00,  0.00,  0.00)
164: 21       ( -0.002,  -0.008,  -0.022)  (  0.000,  -0.007,  -0.021)  ( 0.00,  0.00,  0.00)
164:     bond    (  1.613,  -1.085,   0.142)  (  1.615,  -1.084,   0.142)  ( 0.14,  0.10,  0.00)
164:     angle   ( -3.259,  -5.157,  -2.297)  ( -3.259,  -5.157,  -2.296)  ( 0.01,  0.01,  0.02)
164:     strbnd  ( -0.614,   0.250,  -1.435)  ( -0.614,   0.250,  -1.435)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.085,   0.141,   0.107)  (  0.085,   0.141,   0.107)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.173,   5.843,   3.461)  (  2.173,   5.843,   3.461)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 22       (  0.001,   0.003,  -0.029)  (  0.002,   0.004,  -0.025)  ( 0.00,  0.00,  0.01)
164:     bond    ( -0.285,   1.036,  -3.315)  ( -0.285,   1.036,  -3.312)  ( 0.00,  0.03,  0.09)
164:     angle   (  0.181,  -1.068,  -0.350)  (  0.182,  -1.067,  -0.350)  ( 0.01,  0.05,  0.00)
164:     strbnd  (  0.973,  -1.118,   0.103)  (  0.973,  -1.118,   0.103)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.351,  -0.744,  -0.263)  (  0.351,  -0.744,  -0.263)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.220,   1.896,   3.796)  ( -1.220,   1.896,   3.796)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 23       (  0.003,  -0.104,  -0.010)  (  0.007,  -0.098,  -0.004)  ( 0.00,  0.06,  0.01)
164:     bond    ( -3.127, -17.812,   3.460)  ( -3.123, -17.808,   3.465)  ( 0.13,  0.02,  0.13)
164:     angle   (  0.202,   7.188,  -7.171)  (  0.204,   7.190,  -7.169)  ( 0.04,  0.03,  0.02)
164:     strbnd  (  3.369,  -1.380,  -2.585)  (  3.367,  -1.380,  -2.585)  ( 0.04,  0.05,  0.01)
164:     torsion ( -0.244,   1.380,   2.916)  ( -0.244,   1.381,   2.917)  ( 0.00,  0.01,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.952,   7.510,   2.573)  ( -0.952,   7.510,   2.573)  ( 0.00,  0.00,  0.00)
164:     electro (  0.755,   3.009,   0.796)  (  0.755,   3.009,   0.796)  ( 0.00,  0.00,  0.00)
164: 24       (  0.007,  -0.018,  -0.003)  (  0.008,  -0.016,  -0.001)  ( 0.00,  0.00,  0.00)
164:     bond    (  0.060,   1.792,   1.597)  (  0.060,   1.794,   1.599)  ( 0.00,  0.10,  0.09)
164:     angle   ( -3.575,  -1.364,   1.663)  ( -3.575,  -1.363,   1.664)  ( 0.02,  0.02,  0.02)
164:     strbnd  ( -0.521,   0.527,  -1.117)  ( -0.521,   0.527,  -1.117)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.187,  -0.049,   0.048)  (  0.187,  -0.049,   0.048)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.856,  -0.925,  -2.194)  (  3.857,  -0.925,  -2.194)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 25       (  0.066,  -0.058,  -0.075)  (  0.072,  -0.052,  -0.069)  ( 0.04,  0.03,  0.04)
164:     bond    (-13.633,   0.941,  12.416)  (-13.629,   0.945,  12.421)  ( 0.03,  0.39,  0.04)
164:     angle   (  2.350,   2.416,  -9.408)  (  2.353,   2.418,  -9.406)  ( 0.09,  0.08,  0.02)
164:     strbnd  (  0.055,   4.163,  -0.501)  (  0.054,   4.162,  -0.502)  ( 0.00,  0.03,  0.04)
164:     torsion (  2.065,  -2.248,   1.183)  (  2.065,  -2.248,   1.183)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  6.223,  -3.991,  -2.667)  (  6.223,  -3.991,  -2.667)  ( 0.00,  0.00,  0.00)
164:     electro (  3.006,  -1.338,  -1.097)  (  3.006,  -1.338,  -1.097)  ( 0.00,  0.00,  0.00)
164: 26       ( -0.004,  -0.009,   0.017)  ( -0.004,  -0.008,   0.020)  ( 0.00,  0.00,  0.01)
164:     bond    ( -0.508,   1.114,  -2.671)  ( -0.508,   1.115,  -2.668)  ( 0.01,  0.04,  0.10)
164:     angle   ( -3.386,  -1.138,   0.169)  ( -3.386,  -1.138,   0.170)  ( 0.02,  0.04,  0.00)
164:     strbnd  ( -0.285,   1.027,   0.757)  ( -0.285,   1.027,   0.757)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.469,   0.506,   0.301)  ( -0.469,   0.506,   0.301)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.645,  -1.519,   1.461)  (  4.645,  -1.518,   1.461)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 27       ( -0.053,   0.087,   0.044)  ( -0.047,   0.093,   0.047)  ( 0.03,  0.05,  0.01)
164:     bond    (-15.148,  -5.941, -10.039)  (-15.143,  -5.937, -10.037)  ( 0.03,  0.08,  0.02)
164:     angle   ( -5.200,  -8.059,   8.744)  ( -5.198,  -8.058,   8.745)  ( 0.03,  0.02,  0.02)
164:     strbnd  ( -1.543,  -1.202,   1.549)  ( -1.544,  -1.203,   1.548)  ( 0.04,  0.04,  0.03)
164:     torsion ( -0.831,   0.963,  -3.227)  ( -0.831,   0.963,  -3.226)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  6.577,   4.313,  -0.037)  (  6.577,   4.313,  -0.037)  ( 0.00,  0.00,  0.00)
164:     electro ( 16.093,  10.014,   3.054)  ( 16.093,  10.014,   3.054)  ( 0.00,  0.00,  0.00)
164: 28       (  0.001,   0.014,  -0.042)  (  0.002,   0.015,  -0.039)  ( 0.00,  0.00,  0.01)
164:     bond    (  0.463,  -1.202,   2.694)  (  0.464,  -1.202,   2.697)  ( 0.00,  0.05,  0.10)
164:     angle   (  0.035,  -0.321,  -0.149)  (  0.036,  -0.320,  -0.149)  ( 0.00,  0.01,  0.00)
164:     strbnd  ( -0.222,  -0.567,  -1.132)  ( -0.222,  -0.567,  -1.132)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.438,  -1.586,  -0.782)  (  0.438,  -1.586,  -0.782)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.714,   3.690,  -0.674)  ( -0.714,   3.690,  -0.674)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 29       (  0.008,   0.030,   0.008)  (  0.008,   0.032,   0.009)  ( 0.00,  0.01,  0.00)
164:     bond    ( -0.087,  -1.217,  -1.051)  ( -0.087,  -1.215,  -1.050)  ( 0.00,  0.16,  0.14)
164:     angle   ( -0.252,   0.112,  -0.110)  ( -0.251,   0.113,  -0.110)  ( 0.02,  0.00,  0.00)
164:     strbnd  (  0.115,   0.045,   1.331)  (  0.115,   0.045,   1.331)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.210,   0.236,  -0.255)  ( -0.210,   0.236,  -0.255)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.441,   0.855,   0.093)  (  0.441,   0.855,   0.093)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 30       ( -0.057,   0.017,   0.002)  ( -0.054,   0.018,   0.002)  ( 0.02,  0.00,  0.00)
164:     bond    ( -1.435,   0.851,  -0.093)  ( -1.433,   0.852,  -0.093)  ( 0.17,  0.08,  0.00)
164:     angle   ( -0.122,  -0.244,  -0.343)  ( -0.122,  -0.243,  -0.342)  ( 0.00,  0.01,  0.02)
164:     strbnd  (  0.598,  -0.582,   1.034)  (  0.598,  -0.582,   1.034)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.027,  -0.078,  -0.298)  ( -0.027,  -0.078,  -0.297)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.930,   0.070,  -0.299)  (  0.930,   0.070,  -0.299)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 31       (  0.005,  -0.020,   0.028)  (  0.006,  -0.019,   0.031)  ( 0.00,  0.00,  0.01)
164:     bond    (  0.312,  -0.902,   2.849)  (  0.312,  -0.902,   2.852)  ( 0.00,  0.03,  0.11)
164:     angle   ( -0.502,   0.107,   0.089)  ( -0.501,   0.107,   0.089)  ( 0.03,  0.01,  0.00)
164:     strbnd  ( -0.940,   0.677,  -0.469)  ( -0.940,   0.677,  -0.469)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.235,   1.160,   0.502)  ( -1.235,   1.160,   0.502)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.370,  -1.062,  -2.942)  (  2.370,  -1.062,  -2.942)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 32       (  0.003,  -0.016,  -0.010)  (  0.005,  -0.014,  -0.009)  ( 0.00,  0.00,  0.00)
164:     bond    ( -0.021,  -0.018,   0.009)  ( -0.019,  -0.016,   0.009)  ( 0.00,  0.00,  0.00)
164:     angle   ( -0.160,   0.222,   0.062)  ( -0.160,   0.222,   0.062)  ( 0.00,  0.01,  0.00)
164:     strbnd  ( -0.521,   0.030,  -0.937)  ( -0.521,   0.030,  -0.938)  ( 0.00,  0.00,  0.01)
164:     torsion (  0.592,  -0.069,   1.057)  (  0.592,  -0.069,   1.057)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.902,   0.369,   0.423)  (  0.902,   0.369,   0.423)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.789,  -0.550,  -0.623)  ( -0.789,  -0.550,  -0.623)  ( 0.00,  0.00,  0.00)
164: 33       ( -0.030,  -0.053,   0.105)  ( -0.019,  -0.047,   0.022)  ( 0.03,  0.03,  0.87)
164:     bond    ( -1.616,  -9.765,   0.189)  ( -1.616,  -9.756,   0.189)  ( 0.01,  0.10,  0.00)
164:     angle   ( 20.636,  -3.367,   2.623)  ( 20.637,  -3.367,   2.623)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  0.680,   2.049,   0.006)  (  0.680,   2.049,   0.006)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.339,   0.113,   2.931)  ( -0.339,   0.113,   2.931)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.045,   0.015,   0.377)  ( -0.035,   0.012,   0.294)  ( 0.04,  0.00,  3.13)
164:     vdw     ( -3.314,  -1.163,  -1.055)  ( -3.314,  -1.163,  -1.055)  ( 0.00,  0.00,  0.00)
164:     electro (-16.031,  12.066,  -4.968)  (-16.031,  12.066,  -4.968)  ( 0.00,  0.00,  0.00)
164: 34       (  0.021,   0.161,   0.031)  (  0.031,   0.164,  -0.005)  ( 0.02,  0.05,  0.11)
164:     bond    ( -3.927,   2.786,  -0.594)  ( -3.921,   2.789,  -0.594)  ( 0.15,  0.13,  0.00)
164:     angle   ( 16.132,  -2.853,   2.371)  ( 16.132,  -2.852,   2.372)  ( 0.00,  0.05,  0.01)
164:     strbnd  ( -0.845,   3.072,  -0.258)  ( -0.845,   3.072,  -0.258)  ( 0.00,  0.01,  0.00)
164:     torsion (  0.144,  -0.049,  -1.174)  (  0.144,  -0.049,  -1.173)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.036,   0.013,   0.294)  ( -0.031,   0.011,   0.258)  ( 0.02,  0.00,  1.06)
164:     vdw     (-11.558,  -6.965,   1.339)  (-11.558,  -6.965,   1.339)  ( 0.00,  0.00,  0.00)
164:     electro (  0.110,   4.158,  -1.948)  (  0.110,   4.158,  -1.948)  ( 0.00,  0.00,  0.00)
164: 35       ( -0.101,  -0.084,  -0.013)  ( -0.097,  -0.081,  -0.013)  ( 0.04,  0.02,  0.00)
164:     bond    (  0.234,   0.187,   0.015)  (  0.238,   0.189,   0.015)  ( 0.08,  0.04,  0.00)
164:     angle   ( -9.135,  11.640,  -1.684)  ( -9.135,  11.640,  -1.684)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( -1.252,  -0.773,  -0.092)  ( -1.252,  -0.773,  -0.092)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.050,  -0.027,  -0.452)  (  0.050,  -0.027,  -0.452)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.204,   0.155,  -0.034)  ( -0.204,   0.155,  -0.034)  ( 0.00,  0.00,  0.00)
164:     electro ( 10.207, -11.265,   2.235)  ( 10.207, -11.265,   2.235)  ( 0.00,  0.00,  0.00)
164: 36       (  0.023,  -0.029,  -0.012)  (  0.030,  -0.025,  -0.007)  ( 0.01,  0.01,  0.01)
164:     bond    (  1.340,  -4.011,  -2.272)  (  1.346,  -4.008,  -2.268)  ( 0.45,  0.07,  0.18)
164:     angle   ( -1.289,   0.664,   1.982)  ( -1.288,   0.666,   1.984)  ( 0.08,  0.10,  0.10)
164:     strbnd  (  0.232,  -0.792,   0.487)  (  0.231,  -0.793,   0.486)  ( 0.02,  0.03,  0.03)
164:     torsion ( -1.155,   0.195,  -0.282)  ( -1.155,   0.195,  -0.282)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.717,   5.471,   0.093)  (  0.717,   5.471,   0.093)  ( 0.00,  0.00,  0.00)
164:     electro (  0.179,  -1.556,  -0.020)  (  0.179,  -1.556,  -0.020)  ( 0.00,  0.00,  0.00)
164: 37       (  0.029,   0.043,  -0.047)  (  0.034,   0.047,  -0.041)  ( 0.01,  0.02,  0.03)
164:     bond    (  1.435,  -3.700,  -1.718)  (  1.438,  -3.696,  -1.713)  ( 0.27,  0.10,  0.31)
164:     angle   (  0.328,   0.545,   0.556)  (  0.329,   0.546,   0.558)  ( 0.03,  0.08,  0.12)
164:     strbnd  ( -0.069,  -0.300,   0.440)  ( -0.069,  -0.301,   0.439)  ( 0.00,  0.01,  0.04)
164:     torsion (  0.956,   0.601,   0.479)  (  0.956,   0.601,   0.479)  ( 0.01,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.832,   4.136,   0.355)  ( -2.832,   4.136,   0.355)  ( 0.00,  0.00,  0.00)
164:     electro (  0.210,  -1.238,  -0.159)  (  0.210,  -1.238,  -0.159)  ( 0.00,  0.00,  0.00)
164: 38       ( -0.013,   0.017,  -0.005)  ( -0.012,   0.019,  -0.003)  ( 0.00,  0.00,  0.00)
164:     bond    (  0.435,  -0.767,   0.899)  (  0.435,  -0.766,   0.901)  ( 0.02,  0.11,  0.17)
164:     angle   (  0.496,   0.229,  -0.045)  (  0.496,   0.229,  -0.045)  ( 0.03,  0.00,  0.00)
164:     strbnd  ( -0.157,   0.213,  -0.446)  ( -0.157,   0.213,  -0.446)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.563,  -0.012,  -0.282)  (  0.563,  -0.012,  -0.283)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.724,   0.200,   0.015)  ( -0.724,   0.200,   0.015)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.625,   0.154,  -0.145)  ( -0.625,   0.154,  -0.145)  ( 0.00,  0.00,  0.00)
164: 39       ( -0.005,  -0.008,   0.012)  ( -0.003,  -0.007,   0.014)  ( 0.00,  0.00,  0.00)
164:     bond    (  0.863,   0.325,  -0.866)  (  0.864,   0.325,  -0.865)  ( 0.15,  0.01,  0.15)
164:     angle   (  0.432,  -1.789,  -0.241)  (  0.433,  -1.789,  -0.241)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( -0.148,  -0.179,   0.111)  ( -0.148,  -0.179,   0.111)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.500,  -0.248,   0.406)  (  0.500,  -0.248,   0.406)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.310,   2.013,   0.436)  ( -1.310,   2.013,   0.436)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.342,  -0.130,   0.167)  ( -0.342,  -0.130,   0.167)  ( 0.00,  0.00,  0.00)
164: 40       ( -0.029,  -0.039,   0.034)  ( -0.028,  -0.036,   0.035)  ( 0.00,  0.01,  0.00)
164:     bond    ( -0.592,  -0.813,   0.455)  ( -0.591,  -0.811,   0.456)  ( 0.06,  0.16,  0.03)
164:     angle   ( -0.349,   0.064,  -0.339)  ( -0.348,   0.064,  -0.339)  ( 0.01,  0.00,  0.02)
164:     strbnd  (  0.254,   0.177,  -0.194)  (  0.254,   0.177,  -0.194)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.231,  -0.135,  -0.540)  ( -0.231,  -0.135,  -0.540)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.504,   0.376,   0.413)  (  0.504,   0.376,   0.413)  ( 0.00,  0.00,  0.00)
164:     electro (  0.385,   0.292,   0.238)  (  0.385,   0.292,   0.238)  ( 0.00,  0.00,  0.00)
164: 41       (  0.005,  -0.012,   0.021)  (  0.005,  -0.011,   0.024)  ( 0.00,  0.00,  0.01)
164:     bond    ( -0.265,   0.213,  -1.387)  ( -0.265,   0.213,  -1.384)  ( 0.00,  0.00,  0.25)
164:     angle   ( -0.002,  -0.794,  -0.122)  ( -0.001,  -0.793,  -0.122)  ( 0.00,  0.04,  0.00)
164:     strbnd  (  0.104,  -0.149,   0.254)  (  0.104,  -0.149,   0.254)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.534,  -0.473,   0.029)  ( -0.534,  -0.473,   0.029)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.465,   1.537,   0.914)  (  0.465,   1.537,   0.914)  ( 0.00,  0.00,  0.00)
164:     electro (  0.237,  -0.346,   0.332)  (  0.237,  -0.346,   0.332)  ( 0.00,  0.00,  0.00)
164: 42       (  0.013,   0.008,  -0.041)  (  0.014,   0.009,  -0.038)  ( 0.00,  0.00,  0.01)
164:     bond    ( -1.424,  -0.121,   4.422)  ( -1.424,  -0.120,   4.425)  ( 0.03,  0.00,  0.07)
164:     angle   (  0.750,  -1.072,   0.212)  (  0.750,  -1.071,   0.212)  ( 0.02,  0.08,  0.00)
164:     strbnd  (  0.500,  -0.190,  -1.471)  (  0.500,  -0.190,  -1.471)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.246,   0.662,  -0.061)  ( -0.246,   0.662,  -0.061)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.074,   0.895,  -1.822)  ( -0.074,   0.895,  -1.822)  ( 0.00,  0.00,  0.00)
164:     electro (  0.507,  -0.167,  -1.321)  (  0.507,  -0.167,  -1.321)  ( 0.00,  0.00,  0.00)
164: ok 24 # gradients 
164: ok 25 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
164:  1       (  0.094,  -0.054,   0.252)  (  0.101,  -0.049,   0.257)  ( 0.07,  0.03,  0.12)
164:     bond    (  0.405,   3.441,   0.242)  (  0.412,   3.445,   0.242)  ( 0.28,  0.13,  0.00)
164:     angle   ( -0.409,   0.650,  -0.195)  ( -0.408,   0.652,  -0.195)  ( 0.06,  0.11,  0.00)
164:     strbnd  ( -0.322,  -4.041,  -0.254)  ( -0.322,  -4.042,  -0.254)  ( 0.01,  0.03,  0.00)
164:     torsion ( -0.032,  -0.018,   0.320)  ( -0.032,  -0.018,   0.321)  ( 0.00,  0.00,  0.03)
164:     oop     (  0.002,   0.001,  -0.014)  (  0.001,   0.001,  -0.011)  ( 0.00,  0.00,  0.01)
164:     vdw     ( -0.047,  -0.020,  -0.019)  ( -0.047,  -0.020,  -0.019)  ( 0.00,  0.00,  0.00)
164:     electro (  0.497,  -0.068,   0.172)  (  0.497,  -0.068,   0.172)  ( 0.00,  0.00,  0.00)
164:  2       ( -0.202,  -0.384,   0.053)  ( -0.198,  -0.377,   0.070)  ( 0.09,  0.28,  0.09)
164:     bond    (  3.541,  -2.137,   0.264)  (  3.546,  -2.131,   0.265)  ( 0.15,  0.30,  0.00)
164:     angle   (  1.746,   1.275,   0.298)  (  1.748,   1.277,   0.298)  ( 0.10,  0.14,  0.00)
164:     strbnd  ( -2.090,   1.285,  -0.146)  ( -2.091,   1.285,  -0.146)  ( 0.05,  0.01,  0.00)
164:     torsion (  0.033,   0.016,  -0.297)  (  0.034,   0.016,  -0.296)  ( 0.00,  0.00,  0.04)
164:     oop     (  0.010,   0.005,  -0.088)  (  0.009,   0.004,  -0.072)  ( 0.00,  0.00,  0.14)
164:     vdw     ( -3.041,  -0.539,  -0.132)  ( -3.041,  -0.539,  -0.132)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.403,  -0.288,   0.154)  ( -0.403,  -0.288,   0.154)  ( 0.00,  0.00,  0.00)
164:  3       ( -0.110,   0.062,   0.058)  ( -0.093,   0.078,  -0.064)  ( 0.18,  0.10,  0.70)
164:     bond    ( 10.808,   8.532,   1.851)  ( 10.812,   8.538,   1.851)  ( 0.04,  0.07,  0.01)
164:     angle   ( -1.280, -12.576,  -1.628)  ( -1.278, -12.574,  -1.628)  ( 0.16,  0.02,  0.03)
164:     strbnd  ( -2.662,  -2.231,  -0.989)  ( -2.662,  -2.232,  -0.989)  ( 0.02,  0.03,  0.01)
164:     torsion ( -0.153,   0.061,   1.120)  ( -0.153,   0.061,   1.121)  ( 0.00,  0.00,  0.09)
164:     oop     ( -0.073,  -0.051,   0.782)  ( -0.062,  -0.043,   0.659)  ( 0.08,  0.04,  9.60)
164:     vdw     ( -8.513,   7.070,  -1.049)  ( -8.513,   7.070,  -1.049)  ( 0.00,  0.00,  0.00)
164:     electro (  1.764,  -0.743,  -0.030)  (  1.764,  -0.743,  -0.030)  ( 0.00,  0.00,  0.00)
164:  4       ( -0.088,  -0.102,  -0.382)  ( -0.110,  -0.122,  -0.055)  ( 0.20,  0.20, 12.48)
164:     bond    ( 20.270,  -4.350,   1.475)  ( 20.275,  -4.343,   1.476)  ( 0.02,  0.15,  0.01)
164:     angle   ( 12.458,  12.739,   3.115)  ( 12.460,  12.741,   3.115)  ( 0.02,  0.01,  0.01)
164:     strbnd  (-17.883,  -3.513,  -1.809)  (-17.884,  -3.514,  -1.809)  ( 0.01,  0.03,  0.00)
164:     torsion (  0.036,   0.065,  -1.684)  (  0.036,   0.065,  -1.683)  ( 0.00,  0.00,  0.04)
164:     oop     (  0.171,   0.149,  -1.871)  (  0.143,   0.122,  -1.545)  ( 0.48,  0.40, 17.39)
164:     vdw     (-12.241,  -4.949,   0.142)  (-12.241,  -4.949,   0.142)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.899,  -0.244,   0.249)  ( -2.899,  -0.244,   0.249)  ( 0.00,  0.00,  0.00)
164:  5       ( -0.068,  -0.017,  -0.125)  ( -0.065,  -0.011,  -0.110)  ( 0.02,  0.01,  0.19)
164:     bond    (  1.518, -21.327,  -9.249)  (  1.522, -21.323,  -9.244)  ( 0.25,  0.02,  0.05)
164:     angle   ( -8.489,  14.472,   7.087)  ( -8.487,  14.475,   7.088)  ( 0.02,  0.02,  0.02)
164:     strbnd  ( 11.557,   1.653,   2.302)  ( 11.556,   1.652,   2.302)  ( 0.01,  0.05,  0.02)
164:     torsion ( -0.182,   0.061,  -1.411)  ( -0.182,   0.061,  -1.410)  ( 0.00,  0.00,  0.02)
164:     oop     (  0.005,   0.003,  -0.040)  (  0.004,   0.002,  -0.031)  ( 0.00,  0.00,  0.04)
164:     vdw     ( -7.969,   3.574,   1.404)  ( -7.968,   3.574,   1.404)  ( 0.00,  0.00,  0.00)
164:     electro (  3.491,   1.548,  -0.219)  (  3.491,   1.548,  -0.219)  ( 0.00,  0.00,  0.00)
164:  6       (  0.024,  -0.167,   0.098)  (  0.036,  -0.156,   0.018)  ( 0.03,  0.18,  0.79)
164:     bond    ( -9.999,  -4.566,  -1.383)  ( -9.996,  -4.563,  -1.383)  ( 0.03,  0.06,  0.00)
164:     angle   (  0.723,  -4.226,  -0.076)  (  0.723,  -4.225,  -0.077)  ( 0.04,  0.03,  0.00)
164:     strbnd  ( 12.551,   6.889,   1.807)  ( 12.551,   6.889,   1.807)  ( 0.00,  0.01,  0.00)
164:     torsion (  0.080,   0.020,  -0.668)  (  0.080,   0.020,  -0.667)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.057,  -0.045,   0.532)  ( -0.048,  -0.038,   0.452)  ( 0.05,  0.03,  4.28)
164:     vdw     ( -3.283,   1.455,  -0.244)  ( -3.283,   1.455,  -0.244)  ( 0.00,  0.00,  0.00)
164:     electro (  0.009,   0.307,   0.130)  (  0.009,   0.307,   0.130)  ( 0.00,  0.00,  0.00)
164:  7       ( -0.002,   0.041,  -0.083)  (  0.003,   0.047,  -0.081)  ( 0.00,  0.02,  0.02)
164:     bond    ( 10.203,   5.616,  25.277)  ( 10.207,   5.620,  25.278)  ( 0.04,  0.07,  0.00)
164:     angle   (-14.427,   4.571, -29.699)  (-14.425,   4.572, -29.697)  ( 0.01,  0.03,  0.01)
164:     strbnd  (  1.147,  -1.228,  -0.703)  (  1.146,  -1.229,  -0.703)  ( 0.05,  0.04,  0.03)
164:     torsion (  1.193,  -0.605,  -0.282)  (  1.193,  -0.605,  -0.282)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.912,   0.367,   4.636)  (  5.912,   0.367,   4.636)  ( 0.00,  0.00,  0.00)
164:     electro ( -4.030,  -8.679,   0.687)  ( -4.030,  -8.679,   0.687)  ( 0.00,  0.00,  0.00)
164:  8       ( -0.124,  -0.019,  -0.296)  ( -0.123,  -0.017,  -0.295)  ( 0.01,  0.01,  0.03)
164:     bond    ( -0.019,  -0.836,   0.410)  ( -0.019,  -0.833,   0.411)  ( 0.00,  0.23,  0.03)
164:     angle   (  4.770,  -0.609,  -1.012)  (  4.771,  -0.609,  -1.012)  ( 0.01,  0.01,  0.04)
164:     strbnd  (  0.249,   0.128,  -1.740)  (  0.249,   0.128,  -1.740)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.173,  -0.083,  -0.176)  ( -0.173,  -0.083,  -0.176)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -4.951,   1.380,   2.222)  ( -4.951,   1.380,   2.222)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  9       ( -0.069,   0.131,  -0.224)  ( -0.068,   0.132,  -0.221)  ( 0.01,  0.01,  0.07)
164:     bond    ( -0.548,  -0.489,  -3.470)  ( -0.548,  -0.489,  -3.467)  ( 0.01,  0.00,  0.09)
164:     angle   (  2.634,  -1.083,  -0.264)  (  2.635,  -1.082,  -0.264)  ( 0.02,  0.05,  0.00)
164:     strbnd  (  0.419,  -1.396,   0.765)  (  0.419,  -1.396,   0.765)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.167,  -0.223,   0.058)  ( -0.167,  -0.223,   0.058)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.406,   3.323,   2.687)  ( -2.406,   3.323,   2.687)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 10       ( -0.074,  -0.055,  -0.182)  ( -0.069,  -0.050,  -0.177)  ( 0.04,  0.03,  0.10)
164:     bond    (-15.381,  12.089, -12.058)  (-15.377,  12.093, -12.053)  ( 0.02,  0.04,  0.04)
164:     angle   (  8.484, -11.406,  11.903)  (  8.487, -11.404,  11.904)  ( 0.03,  0.02,  0.01)
164:     strbnd  (  4.060,   9.673,   0.443)  (  4.059,   9.672,   0.443)  ( 0.02,  0.01,  0.02)
164:     torsion (  1.330,  -0.770,  -1.490)  (  1.330,  -0.769,  -1.490)  ( 0.01,  0.00,  0.01)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.699, -11.336,   1.328)  (  1.699, -11.336,   1.328)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.266,   1.694,  -0.308)  ( -0.266,   1.694,  -0.308)  ( 0.00,  0.00,  0.00)
164: 11       (  0.037,  -0.007,  -0.105)  (  0.053,   0.011,  -0.240)  ( 0.06,  0.01,  1.41)
164:     bond    (  9.639,  15.878,   4.037)  (  9.642,  15.883,   4.041)  ( 0.04,  0.03,  0.11)
164:     angle   ( -9.172,  -2.161,  -6.458)  ( -9.170,  -2.158,  -6.456)  ( 0.02,  0.11,  0.02)
164:     strbnd  (  1.149,  -6.264,  -0.982)  (  1.147,  -6.265,  -0.982)  ( 0.10,  0.02,  0.04)
164:     torsion ( -0.350,  -0.442,   3.225)  ( -0.350,  -0.442,   3.225)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.054,  -0.059,   0.659)  ( -0.042,  -0.046,   0.518)  ( 0.06,  0.07,  9.28)
164:     vdw     ( -0.242,  -4.058,  -0.450)  ( -0.242,  -4.058,  -0.450)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.932,  -2.902,  -0.135)  ( -0.932,  -2.902,  -0.135)  ( 0.00,  0.00,  0.00)
164: 12       (  0.007,   0.058,  -0.013)  (  0.009,   0.059,  -0.013)  ( 0.00,  0.01,  0.00)
164:     bond    ( -1.070,   0.929,   0.454)  ( -1.069,   0.931,   0.454)  ( 0.16,  0.12,  0.01)
164:     angle   (  4.468,   5.608,  -0.977)  (  4.468,   5.608,  -0.977)  ( 0.01,  0.01,  0.05)
164:     strbnd  (  0.788,  -0.295,  -1.704)  (  0.788,  -0.295,  -1.704)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.551,  -1.028,   0.811)  ( -0.551,  -1.028,   0.811)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.628,  -5.157,   1.404)  ( -3.628,  -5.157,   1.404)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 13       ( -0.120,   0.039,  -0.037)  ( -0.119,   0.040,  -0.033)  ( 0.01,  0.00,  0.01)
164:     bond    ( -0.328,  -0.292,  -3.901)  ( -0.328,  -0.292,  -3.897)  ( 0.00,  0.00,  0.08)
164:     angle   ( -0.446,   1.585,  -0.081)  ( -0.446,   1.585,  -0.081)  ( 0.02,  0.04,  0.00)
164:     strbnd  ( -0.722,   1.212,   0.784)  ( -0.722,   1.212,   0.784)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.435,   1.492,  -0.075)  ( -0.435,   1.492,  -0.075)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.812,  -3.957,   3.236)  (  1.812,  -3.957,   3.236)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 14       (  0.067,   0.147,  -0.288)  (  0.068,   0.148,  -0.285)  ( 0.00,  0.01,  0.08)
164:     bond    ( -0.175,   1.062,   2.357)  ( -0.175,   1.063,   2.360)  ( 0.00,  0.05,  0.12)
164:     angle   ( -0.080,  -0.961,   0.427)  ( -0.080,  -0.961,   0.427)  ( 0.00,  0.04,  0.00)
164:     strbnd  (  0.554,   0.475,  -1.094)  (  0.554,   0.475,  -1.094)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.550,   1.444,  -0.691)  ( -0.550,   1.444,  -0.691)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.318,  -1.873,  -1.287)  (  0.318,  -1.873,  -1.287)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 15       (  0.046,  -0.135,  -0.333)  (  0.047,  -0.133,  -0.331)  ( 0.00,  0.03,  0.06)
164:     bond    (  0.373,   1.480,  -1.330)  (  0.373,   1.482,  -1.328)  ( 0.00,  0.12,  0.11)
164:     angle   ( -2.004,   0.579,   0.084)  ( -2.004,   0.580,   0.085)  ( 0.03,  0.01,  0.00)
164:     strbnd  (  0.258,   0.339,   0.948)  (  0.258,   0.339,   0.948)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.462,  -0.620,  -0.562)  (  0.462,  -0.620,  -0.562)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.958,  -1.914,   0.528)  (  0.958,  -1.914,   0.528)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 16       ( -0.222,  -0.176,   0.346)  ( -0.217,  -0.175,   0.343)  ( 0.09,  0.02,  0.10)
164:     bond    (  0.758,  -0.200,   0.086)  (  0.762,  -0.200,   0.086)  ( 0.28,  0.01,  0.00)
164:     angle   (  0.078,   0.315,   0.044)  (  0.078,   0.315,   0.044)  ( 0.00,  0.02,  0.00)
164:     strbnd  ( -0.224,   0.410,  -0.006)  ( -0.224,   0.410,  -0.006)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.053,  -0.023,   0.416)  ( -0.053,  -0.023,   0.416)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.002,  -0.001,   0.014)  ( -0.001,  -0.001,   0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.370,  -0.087,  -0.051)  ( -0.370,  -0.087,  -0.051)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.409,  -0.590,  -0.156)  ( -0.409,  -0.590,  -0.156)  ( 0.00,  0.00,  0.00)
164: 17       ( -0.172,  -0.001,   0.210)  ( -0.170,   0.003,   0.205)  ( 0.02,  0.00,  0.11)
164:     bond    (  0.202,  -2.402,  -0.106)  (  0.202,  -2.398,  -0.106)  ( 0.00,  0.16,  0.00)
164:     angle   (  0.155,   0.010,   0.062)  (  0.156,   0.010,   0.062)  ( 0.01,  0.00,  0.00)
164:     strbnd  (  0.312,   1.242,   0.101)  (  0.312,   1.242,   0.101)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.037,  -0.018,   0.329)  ( -0.037,  -0.018,   0.329)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.003,  -0.001,   0.025)  ( -0.002,  -0.001,   0.019)  ( 0.00,  0.00,  0.01)
164:     vdw     ( -0.532,   0.720,  -0.009)  ( -0.532,   0.720,  -0.009)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.269,   0.447,  -0.192)  ( -0.269,   0.447,  -0.192)  ( 0.00,  0.00,  0.00)
164: 18       ( -0.081,  -0.033,  -0.057)  ( -0.060,  -0.053,  -0.067)  ( 0.17,  0.07,  0.06)
164:     bond    ( -6.379,   0.928, -24.889)  ( -6.375,   0.931, -24.885)  ( 0.06,  0.30,  0.02)
164:     angle   (  9.056,   0.616,  23.534)  (  9.058,   0.619,  23.536)  ( 0.02,  0.14,  0.01)
164:     strbnd  ( -5.196,  -2.586,  -0.461)  ( -5.197,  -2.587,  -0.462)  ( 0.03,  0.04,  0.02)
164:     torsion (  1.569,  -1.208,   0.648)  (  1.569,  -1.208,   0.648)  ( 0.00,  0.01,  0.00)
164:     oop     ( -0.120,   0.144,   0.106)  ( -0.104,   0.120,   0.090)  ( 0.19,  0.35,  0.17)
164:     vdw     (  1.409,   4.724,  -3.655)  (  1.409,   4.724,  -3.655)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.420,  -2.651,   4.661)  ( -0.420,  -2.651,   4.661)  ( 0.00,  0.00,  0.00)
164: 19       ( -0.058,   0.004,   0.349)  ( -0.047,   0.015,   0.354)  ( 0.06,  0.00,  0.19)
164:     bond    ( -2.284,   1.490,  -1.564)  ( -2.281,   1.492,  -1.560)  ( 0.13,  0.13,  0.31)
164:     angle   ( -1.097,  -5.742,  -2.880)  ( -1.096,  -5.741,  -2.878)  ( 0.12,  0.02,  0.06)
164:     strbnd  (  3.814,  -3.033,   2.137)  (  3.814,  -3.033,   2.137)  ( 0.01,  0.00,  0.01)
164:     torsion (  0.420,   0.671,  -0.162)  (  0.420,   0.672,  -0.162)  ( 0.02,  0.04,  0.00)
164:     oop     ( -0.056,  -0.065,   0.006)  ( -0.050,  -0.058,   0.005)  ( 0.04,  0.05,  0.00)
164:     vdw     ( -0.306,   9.504,   2.421)  ( -0.306,   9.504,   2.421)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.549,  -2.822,   0.391)  ( -0.549,  -2.822,   0.391)  ( 0.00,  0.00,  0.00)
164: 20       (  0.614,   0.560,   0.386)  (  0.502,   0.609,   0.460)  ( 6.89,  2.73,  2.86)
164:     bond    ( -2.231, -20.883,   8.347)  ( -2.227, -20.877,   8.352)  ( 0.15,  0.03,  0.06)
164:     angle   ( -4.426,  15.205,  -3.475)  ( -4.426,  15.207,  -3.473)  ( 0.02,  0.01,  0.05)
164:     strbnd  ( -4.771,  -2.312,  -7.995)  ( -4.772,  -2.313,  -7.996)  ( 0.01,  0.04,  0.02)
164:     torsion ( -2.925,   0.824,   1.217)  ( -2.924,   0.824,   1.217)  ( 0.01,  0.00,  0.00)
164:     oop     (  0.652,  -0.226,  -0.380)  (  0.536,  -0.185,  -0.311)  ( 7.57,  0.92,  2.60)
164:     vdw     (  7.151,   3.310,   3.612)  (  7.151,   3.310,   3.612)  ( 0.00,  0.00,  0.00)
164:     electro (  7.163,   4.641,  -0.940)  (  7.163,   4.641,  -0.940)  ( 0.00,  0.00,  0.00)
164: 21       ( -0.124,  -0.034,   0.051)  ( -0.123,  -0.033,   0.055)  ( 0.01,  0.00,  0.02)
164:     bond    ( -0.235,  -0.308,  -2.219)  ( -0.235,  -0.308,  -2.216)  ( 0.00,  0.00,  0.15)
164:     angle   (  4.698,  -5.851,   0.315)  (  4.699,  -5.850,   0.315)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -0.581,  -0.336,   1.443)  ( -0.581,  -0.336,   1.443)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.301,   0.144,   0.118)  ( -1.301,   0.144,   0.118)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.704,   6.318,   0.395)  ( -2.704,   6.318,   0.395)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 22       ( -0.190,  -0.210,  -0.397)  ( -0.195,  -0.220,  -0.390)  ( 0.10,  0.21,  0.27)
164:     bond    (  7.110,  -5.000,  16.974)  (  7.113,  -4.998,  16.979)  ( 0.05,  0.04,  0.03)
164:     angle   ( -2.542,   1.862,  -6.168)  ( -2.541,   1.862,  -6.166)  ( 0.04,  0.04,  0.03)
164:     strbnd  ( -2.998,   2.586,   2.923)  ( -2.998,   2.586,   2.923)  ( 0.00,  0.00,  0.01)
164:     torsion (  0.187,   0.206,   0.004)  (  0.187,   0.207,   0.004)  ( 0.01,  0.02,  0.00)
164:     oop     (  0.071,   0.090,  -0.001)  (  0.060,   0.076,  -0.000)  ( 0.07,  0.12,  0.00)
164:     vdw     ( -3.409,   1.113, -13.213)  ( -3.409,   1.113, -13.213)  ( 0.00,  0.01,  0.00)
164:     electro (  1.392,  -1.067,  -0.917)  (  1.392,  -1.067,  -0.917)  ( 0.00,  0.00,  0.00)
164: 23       ( -0.334,  -0.228,   0.485)  ( -0.328,  -0.223,   0.493)  ( 0.22,  0.13,  0.36)
164:     bond    ( -4.764,   3.427,  11.494)  ( -4.760,   3.429,  11.499)  ( 0.07,  0.06,  0.05)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 57       ( -0.222,  -0.711,   1.702)  ( -0.221,  -0.708,   1.703)  ( 0.02,  0.16,  0.07)
166:     bond    ( -1.423,  -3.015,   1.849)  ( -1.423,  -3.013,   1.849)  ( 0.03,  0.07,  0.04)
166:     angle   (  1.191,  -0.586,  -0.038)  (  1.192,  -0.586,  -0.038)  ( 0.04,  0.01,  0.00)
166:     strbnd  (  0.927,   0.636,  -0.840)  (  0.927,   0.636,  -0.840)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.670,   0.208,   0.854)  (  0.670,   0.208,   0.854)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.587,   2.046,  -0.123)  ( -1.587,   2.046,  -0.123)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 58       ( -1.065,  -1.279,  -1.213)  ( -1.063,  -1.277,  -1.212)  ( 0.14,  0.19,  0.05)
166:     bond    ( -0.341,   0.461,   0.108)  ( -0.340,   0.463,   0.108)  ( 0.04,  0.10,  0.00)
166:     angle   ( -2.386,  -1.529,  -0.965)  ( -2.386,  -1.529,  -0.964)  ( 0.01,  0.01,  0.04)
166:     strbnd  ( -0.455,  -0.647,  -0.480)  ( -0.455,  -0.647,  -0.480)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.014,   0.020,  -0.041)  (  0.014,   0.020,  -0.041)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.104,   0.416,   0.164)  (  2.104,   0.416,   0.164)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 59       ( -1.070,  -1.140,  -0.343)  ( -1.069,  -1.138,  -0.342)  ( 0.10,  0.20,  0.03)
166:     bond    ( -1.369,  -2.487,   1.248)  ( -1.368,  -2.484,   1.248)  ( 0.05,  0.09,  0.04)
166:     angle   ( -1.624,   0.072,  -1.636)  ( -1.623,   0.072,  -1.636)  ( 0.03,  0.00,  0.03)
166:     strbnd  ( -0.372,   0.804,  -0.765)  ( -0.372,   0.804,  -0.765)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.290,   0.448,   0.574)  ( -0.290,   0.448,   0.574)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.584,   0.022,   0.237)  (  2.584,   0.022,   0.237)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 60       ( -0.358,  -1.910,  -0.423)  ( -0.357,  -1.909,  -0.420)  ( 0.02,  0.03,  0.14)
166:     bond    (  0.061,  -0.358,  -2.470)  (  0.061,  -0.358,  -2.467)  ( 0.00,  0.00,  0.13)
166:     angle   ( -2.334,  -1.222,   0.119)  ( -2.334,  -1.222,   0.119)  ( 0.02,  0.04,  0.00)
166:     strbnd  ( -0.879,   0.068,   0.565)  ( -0.879,   0.068,   0.565)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.016,  -0.218,   0.032)  (  0.016,  -0.218,   0.032)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.778,  -0.179,   1.331)  (  2.778,  -0.179,   1.331)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 61       ( -1.170,  -0.189,   0.037)  ( -1.168,  -0.188,   0.038)  ( 0.25,  0.01,  0.00)
166:     bond    ( -0.428,  -0.103,  -0.175)  ( -0.426,  -0.103,  -0.175)  ( 0.12,  0.00,  0.01)
166:     angle   ( -0.331,  -3.245,   2.709)  ( -0.331,  -3.244,   2.710)  ( 0.00,  0.01,  0.02)
166:     strbnd  ( -0.890,  -0.655,   0.505)  ( -0.890,  -0.655,   0.505)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.146,   0.349,   0.151)  ( -0.146,   0.349,   0.152)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.626,   3.464,  -3.153)  (  0.626,   3.464,  -3.153)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 62       ( -1.757,   0.318,   0.260)  ( -1.756,   0.322,   0.261)  ( 0.03,  0.11,  0.02)
166:     bond    (  0.021,   0.242,  -0.008)  (  0.021,   0.246,  -0.008)  ( 0.00,  0.08,  0.00)
166:     angle   (  2.576,  -0.098,   3.676)  (  2.576,  -0.098,   3.677)  ( 0.02,  0.00,  0.01)
166:     strbnd  (  0.261,   0.641,   0.904)  (  0.261,   0.642,   0.904)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.156,  -0.106,  -0.183)  (  1.156,  -0.106,  -0.183)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.770,  -0.362,  -4.129)  ( -5.770,  -0.362,  -4.129)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 63       ( -1.163,   0.855,  -0.571)  ( -1.161,   0.856,  -0.570)  ( 0.16,  0.08,  0.09)
166:     bond    ( -1.786,   1.024,   1.583)  ( -1.785,   1.024,   1.584)  ( 0.09,  0.05,  0.08)
166:     angle   (  0.428,  -0.094,   0.542)  (  0.428,  -0.094,   0.543)  ( 0.01,  0.00,  0.02)
166:     strbnd  (  0.673,  -0.673,   0.446)  (  0.673,  -0.673,   0.446)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.227,  -0.276,  -0.077)  ( -0.227,  -0.276,  -0.077)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.250,   0.874,  -3.065)  ( -0.250,   0.874,  -3.065)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 64       (  0.790,  -0.989,   0.790)  (  0.793,  -0.989,   0.791)  ( 0.25,  0.06,  0.06)
166:     bond    (  0.666,   0.107,  -0.162)  (  0.670,   0.108,  -0.162)  ( 0.21,  0.00,  0.00)
166:     angle   ( -0.821,  -2.989,  -5.388)  ( -0.821,  -2.989,  -5.387)  ( 0.00,  0.02,  0.01)
166:     strbnd  ( -1.303,  -0.763,  -0.758)  ( -1.303,  -0.763,  -0.758)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.159,  -0.563,   0.283)  (  0.159,  -0.563,   0.283)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.089,   3.218,   6.815)  (  2.089,   3.218,   6.815)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 65       (  1.612,   1.583,  -0.244)  (  1.613,   1.584,  -0.242)  ( 0.09,  0.07,  0.05)
166:     bond    ( -0.305,   0.226,  -0.426)  ( -0.304,   0.227,  -0.424)  ( 0.03,  0.01,  0.08)
166:     angle   (  3.626,  -2.262,  -3.808)  (  3.626,  -2.262,  -3.808)  ( 0.01,  0.02,  0.01)
166:     strbnd  (  0.994,  -1.017,  -0.192)  (  0.994,  -1.017,  -0.192)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.256,   0.264,  -0.043)  (  0.256,   0.264,  -0.043)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.959,   4.372,   4.225)  ( -2.958,   4.372,   4.225)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 66       ( -1.078,   0.552,  -0.760)  ( -1.078,   0.556,  -0.759)  ( 0.06,  0.19,  0.05)
166:     bond    (  0.016,   0.113,   0.003)  (  0.016,   0.116,   0.003)  ( 0.00,  0.04,  0.00)
166:     angle   (  2.563,  -0.264,  -3.412)  (  2.563,  -0.264,  -3.411)  ( 0.02,  0.00,  0.02)
166:     strbnd  (  0.510,   0.950,  -1.109)  (  0.510,   0.950,  -1.109)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.450,   0.067,  -0.151)  ( -0.450,   0.067,  -0.151)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.718,  -0.314,   3.909)  ( -3.717,  -0.314,   3.909)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 67       (  0.335,   0.250,   0.082)  (  0.336,   0.253,   0.082)  ( 0.02,  0.08,  0.00)
166:     bond    (  0.214,  -2.095,   0.090)  (  0.214,  -2.092,   0.090)  ( 0.00,  0.16,  0.00)
166:     angle   (  1.574,   0.246,   1.978)  (  1.575,   0.246,   1.979)  ( 0.04,  0.00,  0.03)
166:     strbnd  ( -0.777,   1.004,   0.844)  ( -0.777,   1.004,   0.844)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.181,  -0.026,  -1.050)  (  0.181,  -0.026,  -1.050)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.857,   1.121,  -1.781)  ( -0.857,   1.121,  -1.781)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 68       (  0.121,   0.190,   0.044)  (  0.122,   0.191,   0.047)  ( 0.01,  0.02,  0.01)
166:     bond    ( -0.946,   0.945,   2.916)  ( -0.946,   0.945,   2.919)  ( 0.03,  0.03,  0.09)
166:     angle   (  2.086,  -0.263,   0.761)  (  2.086,  -0.263,   0.761)  ( 0.03,  0.01,  0.01)
166:     strbnd  (  0.013,  -1.433,  -0.930)  (  0.013,  -1.433,  -0.930)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.192,  -1.114,   0.423)  (  0.192,  -1.114,   0.423)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.224,   2.055,  -3.126)  ( -1.224,   2.055,  -3.126)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 69       (  0.670,   0.306,   0.584)  (  0.671,   0.308,   0.587)  ( 0.08,  0.04,  0.14)
166:     bond    ( -0.089,   0.102,   0.156)  ( -0.088,   0.103,   0.158)  ( 0.01,  0.01,  0.03)
166:     angle   (  0.439,  -2.980,   2.180)  (  0.440,  -2.979,   2.180)  ( 0.02,  0.02,  0.01)
166:     strbnd  (  0.329,   0.312,   1.723)  (  0.329,   0.312,   1.723)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.972,  -0.601,   0.932)  (  0.972,  -0.601,   0.933)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.982,   3.473,  -4.407)  ( -0.982,   3.473,  -4.407)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 70       (  0.106,   0.582,   0.566)  (  0.107,   0.583,   0.568)  ( 0.02,  0.04,  0.13)
166:     bond    (  1.818,  -0.560,   2.482)  (  1.819,  -0.560,   2.484)  ( 0.06,  0.01,  0.08)
166:     angle   ( -0.401,  -1.568,  -0.060)  ( -0.400,  -1.567,  -0.060)  ( 0.01,  0.04,  0.00)
166:     strbnd  ( -0.251,  -0.339,  -2.165)  ( -0.251,  -0.339,  -2.165)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.175,   0.745,   1.028)  ( -1.175,   0.745,   1.028)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.115,   2.304,  -0.719)  (  0.115,   2.304,  -0.719)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 71       (  0.738,   0.197,   0.250)  (  0.741,   0.198,   0.251)  ( 0.20,  0.02,  0.02)
166:     bond    (  1.848,   0.749,  -0.682)  (  1.850,   0.749,  -0.682)  ( 0.14,  0.03,  0.02)
166:     angle   ( -0.676,  -2.968,  -5.094)  ( -0.676,  -2.967,  -5.094)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( -1.187,  -1.166,  -0.503)  ( -1.187,  -1.166,  -0.503)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.213,  -0.324,   0.223)  (  0.213,  -0.324,   0.223)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.541,   3.906,   6.307)  (  0.541,   3.906,   6.307)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 72       (  0.699,   1.329,  -0.078)  (  0.701,   1.330,  -0.076)  ( 0.13,  0.05,  0.02)
166:     bond    ( -0.821,   0.235,  -0.916)  ( -0.820,   0.235,  -0.914)  ( 0.12,  0.00,  0.17)
166:     angle   (  3.757,  -0.301,  -3.447)  (  3.757,  -0.301,  -3.447)  ( 0.01,  0.01,  0.01)
166:     strbnd  (  1.187,  -0.802,  -0.115)  (  1.187,  -0.802,  -0.115)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.090,  -0.149,   0.042)  ( -0.090,  -0.149,   0.042)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.334,   2.346,   4.357)  ( -3.333,   2.346,   4.357)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 73       ( -0.259,   0.501,  -0.385)  ( -0.258,   0.505,  -0.385)  ( 0.01,  0.17,  0.02)
166:     bond    ( -0.024,   0.218,  -0.017)  ( -0.024,   0.221,  -0.017)  ( 0.00,  0.07,  0.00)
166:     angle   (  2.747,   0.023,  -3.607)  (  2.748,   0.023,  -3.606)  ( 0.02,  0.00,  0.02)
166:     strbnd  (  0.214,   0.580,  -1.173)  (  0.214,   0.580,  -1.173)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.122,  -0.015,  -0.032)  ( -0.122,  -0.015,  -0.032)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.075,  -0.304,   4.442)  ( -3.075,  -0.304,   4.443)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 74       (  0.198,   2.184,  -1.550)  (  0.200,   2.185,  -1.547)  ( 0.04,  0.04,  0.23)
166:     bond    ( -0.028,  -0.019,  -0.043)  ( -0.027,  -0.018,  -0.040)  ( 0.00,  0.00,  0.01)
166:     angle   (  2.217,   0.907,  -1.911)  (  2.217,   0.907,  -1.911)  ( 0.01,  0.00,  0.01)
166:     strbnd  (  0.644,   0.343,   0.113)  (  0.644,   0.343,   0.113)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.820,   1.602,  -0.191)  ( -0.820,   1.602,  -0.191)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.896,  -0.668,   0.650)  ( -1.896,  -0.668,   0.650)  ( 0.00,  0.00,  0.00)
166:     electro (  0.081,   0.018,  -0.168)  (  0.081,   0.018,  -0.168)  ( 0.00,  0.00,  0.00)
166: ok 22 # gradients 
166: ok 23 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
166:  1       ( -0.188,  -0.096,  -0.051)  ( -0.199,  -0.052,  -0.005)  ( 0.20,  0.42,  0.24)
166:     bond    (  6.718,   6.276,  -0.511)  (  6.723,   6.283,  -0.510)  ( 0.07,  0.11,  0.05)
166:     angle   (  7.350,   2.161,   1.524)  (  7.352,   2.163,   1.524)  ( 0.02,  0.08,  0.00)
166:     strbnd  ( -5.562,  -3.003,  -0.620)  ( -5.562,  -3.004,  -0.620)  ( 0.00,  0.02,  0.00)
166:     torsion (  0.209,  -0.213,  -0.135)  (  0.209,  -0.213,  -0.134)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.102,  -0.210,  -0.295)  (  0.085,  -0.175,  -0.250)  ( 0.17,  0.74,  1.31)
166:     vdw     ( -9.274,  -5.085,  -0.061)  ( -9.274,  -5.085,  -0.061)  ( 0.00,  0.00,  0.00)
166:     electro (  0.268,  -0.021,   0.047)  (  0.268,  -0.021,   0.047)  ( 0.00,  0.00,  0.00)
166:  2       ( -0.463,   0.409,   1.503)  ( -0.406,   0.355,   1.294)  ( 2.62,  2.22, 13.86)
166:     bond    (  5.859,  -4.939,   3.180)  (  5.864,  -4.931,   3.182)  ( 0.09,  0.16,  0.04)
166:     angle   ( -5.582,   0.865,  -2.937)  ( -5.580,   0.867,  -2.937)  ( 0.03,  0.13,  0.01)
166:     strbnd  (  3.439,  -2.665,   1.582)  (  3.438,  -2.666,   1.582)  ( 0.02,  0.03,  0.00)
166:     torsion ( -0.645,   0.747,   3.059)  ( -0.645,   0.747,   3.060)  ( 0.01,  0.01,  0.04)
166:     oop     ( -0.337,   0.427,   1.409)  ( -0.287,   0.364,   1.198)  ( 1.69,  2.70, 14.97)
166:     vdw     ( -3.802,   4.778,  -4.508)  ( -3.801,   4.778,  -4.508)  ( 0.01,  0.00,  0.00)
166:     electro (  0.606,   1.196,  -0.282)  (  0.606,   1.196,  -0.282)  ( 0.00,  0.00,  0.00)
166:  3       (  0.200,  -0.018,  -0.182)  (  0.192,  -0.006,  -0.027)  ( 0.16,  0.02,  2.83)
166:     bond    (  8.537,   8.504,   0.695)  (  8.543,   8.515,   0.695)  ( 0.06,  0.14,  0.00)
166:     angle   (-28.587,  -3.313,  -5.216)  (-28.584,  -3.311,  -5.216)  ( 0.01,  0.05,  0.00)
166:     strbnd  ( 13.895,   1.569,   1.674)  ( 13.894,   1.567,   1.674)  ( 0.01,  0.12,  0.00)
166:     torsion ( -0.070,   0.291,  -0.883)  ( -0.070,   0.291,  -0.883)  ( 0.00,  0.00,  0.04)
166:     oop     (  0.085,  -0.003,  -0.855)  (  0.070,  -0.003,  -0.700)  ( 0.13,  0.00, 13.23)
166:     vdw     ( -3.152,  -1.167,  -0.567)  ( -3.152,  -1.167,  -0.567)  ( 0.00,  0.00,  0.00)
166:     electro (  9.492,  -5.898,   4.971)  (  9.492,  -5.898,   4.971)  ( 0.00,  0.00,  0.00)
166:  4       (  0.068,   0.192,   0.159)  (  0.107,   0.130,  -0.008)  ( 0.27,  1.19,  2.64)
166:     bond    (  5.784,   6.960,  -1.839)  (  5.788,   6.969,  -1.837)  ( 0.07,  0.13,  0.11)
166:     angle   (  0.982, -10.064,   4.762)  (  0.983, -10.062,   4.762)  ( 0.17,  0.02,  0.00)
166:     strbnd  (  2.113,   6.313,  -2.390)  (  2.113,   6.312,  -2.391)  ( 0.01,  0.02,  0.01)
166:     torsion (  0.211,  -0.053,  -0.431)  (  0.211,  -0.052,  -0.430)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.201,   0.426,   1.012)  ( -0.167,   0.355,   0.843)  ( 0.68,  3.05, 16.69)
166:     vdw     ( -0.575,  -5.329,   2.147)  ( -0.575,  -5.329,   2.147)  ( 0.00,  0.00,  0.00)
166:     electro ( -8.246,   1.938,  -3.102)  ( -8.246,   1.938,  -3.102)  ( 0.00,  0.00,  0.00)
166:  5       ( -0.011,  -0.146,  -0.052)  ( -0.021,  -0.112,   0.008)  ( 0.01,  0.49,  0.32)
166:     bond    (  0.169,   6.053,  -2.652)  (  0.169,   6.060,  -2.651)  ( 0.00,  0.13,  0.06)
166:     angle   ( -0.570,  -0.029,  -0.102)  ( -0.569,  -0.029,  -0.102)  ( 0.04,  0.00,  0.00)
166:     strbnd  ( -0.449,  -0.737,   0.244)  ( -0.449,  -0.737,   0.244)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.351,  -0.798,  -1.802)  (  0.351,  -0.798,  -1.802)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.063,  -0.144,  -0.325)  (  0.052,  -0.118,  -0.265)  ( 0.07,  0.38,  1.92)
166:     vdw     ( -5.042,  -4.784,   2.331)  ( -5.041,  -4.784,   2.331)  ( 0.00,  0.00,  0.00)
166:     electro (  5.466,   0.293,   2.253)  (  5.466,   0.293,   2.253)  ( 0.00,  0.00,  0.00)
166:  6       (  0.048,  -0.085,  -0.062)  (  0.044,  -0.054,   0.004)  ( 0.02,  0.27,  0.41)
166:     bond    ( -0.057,   4.697,  -1.723)  ( -0.052,   4.701,  -1.723)  ( 0.03,  0.10,  0.04)
166:     angle   (  6.722,   9.815,  -3.104)  (  6.724,   9.816,  -3.104)  ( 0.03,  0.02,  0.00)
166:     strbnd  ( -8.096,  -2.087,  -0.459)  ( -8.096,  -2.087,  -0.459)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.110,   0.259,   0.519)  ( -0.110,   0.259,   0.520)  ( 0.00,  0.00,  0.06)
166:     oop     (  0.071,  -0.161,  -0.404)  (  0.060,  -0.136,  -0.340)  ( 0.08,  0.40,  2.58)
166:     vdw     (  1.049, -12.118,   4.931)  (  1.049, -12.118,   4.931)  ( 0.03,  0.00,  0.00)
166:     electro (  0.469,  -0.490,   0.178)  (  0.469,  -0.490,   0.178)  ( 0.00,  0.00,  0.00)
166:  7       ( -0.211,   0.490,   1.592)  ( -0.170,   0.415,   1.339)  ( 0.88,  3.66, 15.89)
166:     bond    (  3.349,  -0.633,   0.565)  (  3.354,  -0.629,   0.566)  ( 0.16,  0.29,  0.05)
166:     angle   ( -2.010,  -5.848,   0.374)  ( -2.008,  -5.846,   0.374)  ( 0.11,  0.04,  0.01)
166:     strbnd  ( -0.379,  -1.736,   0.181)  ( -0.380,  -1.737,   0.181)  ( 0.03,  0.03,  0.00)
166:     torsion ( -0.325,   0.273,   1.507)  ( -0.325,   0.273,   1.508)  ( 0.00,  0.00,  0.09)
166:     oop     ( -0.205,   0.452,   1.462)  ( -0.171,   0.371,   1.207)  ( 0.71,  3.68, 17.45)
166:     vdw     ( -0.926,   8.721,  -2.733)  ( -0.925,   8.721,  -2.733)  ( 0.03,  0.00,  0.00)
166:     electro (  0.284,  -0.738,   0.237)  (  0.284,  -0.738,   0.237)  ( 0.00,  0.00,  0.00)
166:  8       ( -0.038,  -0.007,  -0.024)  ( -0.033,   0.006,  -0.005)  ( 0.02,  0.01,  0.05)
166:     bond    ( -2.335,  12.424,  -4.470)  ( -2.330,  12.429,  -4.470)  ( 0.23,  0.04,  0.02)
166:     angle   ( -1.627,  -0.904,   0.021)  ( -1.626,  -0.902,   0.021)  ( 0.10,  0.16,  0.00)
166:     strbnd  ( -5.052,  -1.205,  -0.263)  ( -5.052,  -1.206,  -0.263)  ( 0.00,  0.01,  0.00)
166:     torsion ( -0.060,   0.134,   0.425)  ( -0.060,   0.134,   0.426)  ( 0.00,  0.00,  0.05)
166:     oop     (  0.013,  -0.035,  -0.105)  (  0.011,  -0.030,  -0.088)  ( 0.00,  0.02,  0.18)
166:     vdw     (  6.553, -10.647,   4.170)  (  6.553, -10.647,   4.170)  ( 0.00,  0.00,  0.00)
166:     electro (  2.471,   0.227,   0.198)  (  2.471,   0.227,   0.198)  ( 0.00,  0.00,  0.00)
166:  9       (  0.946,  -1.368,  -4.548)  (  0.837,  -1.147,  -3.903)  (10.32, 16.19, 14.19)
166:     bond    (  7.584,  -6.522,   1.280)  (  7.590,  -6.517,   1.281)  ( 0.08,  0.07,  0.06)
166:     angle   ( -6.868,  -3.074,   6.963)  ( -6.866,  -3.072,   6.964)  ( 0.03,  0.07,  0.01)
166:     strbnd  ( -1.384,   3.697,  -1.135)  ( -1.385,   3.696,  -1.136)  ( 0.05,  0.02,  0.01)
166:     torsion (  0.914,  -1.383,  -5.636)  (  0.914,  -1.383,  -5.635)  ( 0.00,  0.01,  0.01)
166:     oop     (  0.745,  -1.298,  -3.922)  (  0.629,  -1.083,  -3.278)  ( 8.65, 16.58, 16.41)
166:     vdw     ( -1.168,   4.392,  -3.048)  ( -1.168,   4.393,  -3.048)  ( 0.00,  0.00,  0.00)
166:     electro (  1.123,   2.820,   0.950)  (  1.123,   2.820,   0.950)  ( 0.00,  0.00,  0.00)
166: 10       ( -0.051,  -0.123,  -0.257)  ( -0.046,  -0.109,  -0.239)  ( 0.02,  0.17,  0.44)
166:     bond    (  2.250, -21.552,   7.812)  (  2.255, -21.547,   7.813)  ( 0.22,  0.02,  0.01)
166:     angle   (  0.157,  10.838,  -3.791)  (  0.158,  10.840,  -3.791)  ( 0.02,  0.02,  0.01)
166:     strbnd  ( -4.774,   3.240,  -1.394)  ( -4.774,   3.239,  -1.394)  ( 0.00,  0.01,  0.00)
166:     torsion ( -0.383,   0.976,   3.097)  ( -0.383,   0.976,   3.098)  ( 0.00,  0.02,  0.04)
166:     oop     (  0.001,  -0.020,  -0.019)  ( -0.000,  -0.013,  -0.004)  ( 0.00,  0.01,  0.03)
166:     vdw     (  1.632,   4.936,  -5.898)  (  1.632,   4.937,  -5.898)  ( 0.01,  0.01,  0.00)
166:     electro (  1.066,   1.459,  -0.063)  (  1.066,   1.459,  -0.063)  ( 0.00,  0.00,  0.00)
166: 11       ( -1.565,   1.497,  -6.484)  ( -1.426,   1.426,  -5.566)  ( 8.90,  4.71, 14.17)
166:     bond    (-16.382,  -5.258,  -0.908)  (-16.377,  -5.253,  -0.907)  ( 0.03,  0.09,  0.07)
166:     angle   (-11.115,   1.090,   2.569)  (-11.112,   1.092,   2.569)  ( 0.02,  0.19,  0.01)
166:     strbnd  ( 22.133,   1.950,   2.757)  ( 22.132,   1.949,   2.757)  ( 0.00,  0.03,  0.00)
166:     torsion (  0.030,  -0.147,  -1.459)  (  0.030,  -0.146,  -1.458)  ( 0.00,  0.00,  0.07)
166:     oop     ( -1.363,   1.188,  -6.786)  ( -1.230,   1.111,  -5.870)  ( 9.71,  6.48, 13.50)
166:     vdw     (  4.671,   2.284,  -2.768)  (  4.672,   2.284,  -2.768)  ( 0.00,  0.00,  0.00)
166:     electro (  0.459,   0.390,   0.111)  (  0.459,   0.390,   0.111)  ( 0.00,  0.00,  0.00)
166: 12       ( -0.002,   0.033,   0.022)  (  0.002,   0.028,  -0.000)  ( 0.00,  0.02,  0.05)
166:     bond    ( -0.083,  -1.551,   0.585)  ( -0.083,  -1.548,   0.586)  ( 0.00,  0.21,  0.03)
166:     angle   ( -2.409,   0.039,  -0.237)  ( -2.408,   0.039,  -0.237)  ( 0.03,  0.00,  0.00)
166:     strbnd  (  0.317,   2.635,  -1.018)  (  0.317,   2.635,  -1.018)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.335,   0.971,   2.518)  ( -0.335,   0.971,   2.518)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.020,   0.060,   0.155)  ( -0.017,   0.051,   0.132)  ( 0.01,  0.05,  0.36)
166:     vdw     (  1.947,  -0.339,  -2.146)  (  1.947,  -0.339,  -2.146)  ( 0.01,  0.00,  0.00)
166:     electro (  0.582,  -1.781,   0.164)  (  0.582,  -1.781,   0.164)  ( 0.00,  0.00,  0.00)
166: 13       ( -0.161,   0.206,   0.379)  ( -0.135,   0.166,   0.239)  ( 0.42,  0.83,  5.33)
166:     bond    (-10.578,  16.134,  -6.570)  (-10.572,  16.139,  -6.569)  ( 0.06,  0.03,  0.01)
166:     angle   (  3.774,  -9.877,   3.575)  (  3.776,  -9.875,   3.575)  ( 0.06,  0.02,  0.00)
166:     strbnd  (  6.607,   8.014,  -1.786)  (  6.607,   8.014,  -1.786)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.109,  -0.516,  -1.612)  (  0.109,  -0.516,  -1.611)  ( 0.00,  0.01,  0.06)
166:     oop     ( -0.104,   0.267,   0.810)  ( -0.086,   0.220,   0.668)  ( 0.18,  1.25, 11.54)
166:     vdw     (  2.473, -10.532,   5.124)  (  2.473, -10.532,   5.124)  ( 0.01,  0.00,  0.00)
166:     electro ( -2.443,  -3.284,   0.838)  ( -2.443,  -3.284,   0.838)  ( 0.00,  0.00,  0.00)
166: 14       ( -0.003,   0.005,   0.001)  ( -0.002,   0.008,  -0.001)  ( 0.00,  0.00,  0.00)
166:     bond    (  0.027,   1.931,  -0.640)  (  0.027,   1.934,  -0.640)  ( 0.00,  0.18,  0.02)
166:     angle   ( -2.454,  -0.061,  -0.290)  ( -2.454,  -0.061,  -0.290)  ( 0.03,  0.00,  0.00)
166:     strbnd  ( -0.157,  -0.599,   0.177)  ( -0.157,  -0.599,   0.177)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.008,  -0.021,  -0.062)  (  0.008,  -0.021,  -0.062)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.002,   0.005,   0.014)  ( -0.001,   0.004,   0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.894,  -1.054,   0.744)  (  3.894,  -1.054,   0.744)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.319,  -0.195,   0.058)  ( -1.319,  -0.195,   0.058)  ( 0.00,  0.00,  0.00)
166: 15       (  0.084,  -0.049,   0.001)  (  0.085,  -0.040,   0.023)  ( 0.00,  0.04,  0.00)
166:     bond    (  0.221,  -0.141,   0.077)  (  0.224,  -0.139,   0.077)  ( 0.07,  0.02,  0.00)
166:     angle   (  4.781,   6.809,  -1.605)  (  4.781,   6.810,  -1.605)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -0.896,   1.110,  -0.480)  ( -0.896,   1.110,  -0.480)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.065,  -0.159,  -0.479)  (  0.065,  -0.159,  -0.479)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.019,  -0.046,  -0.139)  (  0.016,  -0.039,  -0.117)  ( 0.01,  0.03,  0.30)
166:     vdw     ( -4.637,  -7.161,   2.713)  ( -4.637,  -7.161,   2.713)  ( 0.00,  0.00,  0.00)
166:     electro (  0.531,  -0.461,  -0.087)  (  0.531,  -0.461,  -0.087)  ( 0.00,  0.00,  0.00)
166: 16       (  0.592,  -6.830,  17.259)  (  0.475,  -6.321,  15.463)  ( 6.92,  7.44, 10.40)
166:     bond    ( 11.932,   3.001,  15.852)  ( 11.937,   3.005,  15.854)  ( 0.04,  0.13,  0.01)
166:     angle   ( 23.478,  14.321,  -5.626)  ( 23.480,  14.322,  -5.625)  ( 0.01,  0.01,  0.02)
166:     strbnd  (-17.338, -10.628,  -0.306)  (-17.339, -10.629,  -0.306)  ( 0.01,  0.01,  0.01)
166:     torsion (  2.180,  -3.338,  -2.414)  (  2.180,  -3.338,  -2.413)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.730,  -6.148,  15.666)  (  0.607,  -5.645,  13.868)  ( 8.98,  8.18, 11.48)
166:     vdw     ( -3.584,  -3.576,   0.274)  ( -3.584,  -3.576,   0.274)  ( 0.00,  0.00,  0.00)
166:     electro (-16.806,  -0.461,  -6.188)  (-16.806,  -0.461,  -6.188)  ( 0.00,  0.00,  0.00)
166: 17       ( -0.326,   0.524,   1.534)  ( -0.284,   0.447,   1.326)  ( 1.35,  4.06, 13.53)
166:     bond    ( -1.611,  -0.017,   3.957)  ( -1.609,  -0.012,   3.962)  ( 0.12,  0.01,  0.12)
166:     angle   (  6.180,   1.067,  -5.100)  (  6.182,   1.069,  -5.098)  ( 0.03,  0.17,  0.04)
166:     strbnd  (  0.100,  -7.392,   3.328)  (  0.099,  -7.392,   3.327)  ( 0.00,  0.01,  0.03)
166:     torsion (  0.098,  -0.377,   0.788)  (  0.098,  -0.377,   0.788)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.243,   0.495,   1.264)  ( -0.205,   0.412,   1.051)  ( 0.93,  4.15, 16.89)
166:     vdw     ( -4.964,   6.311,  -2.568)  ( -4.963,   6.311,  -2.568)  ( 0.00,  0.00,  0.00)
166:     electro (  0.114,   0.437,  -0.136)  (  0.114,   0.437,  -0.136)  ( 0.00,  0.00,  0.00)
166: 18       (  0.022,  -0.013,   0.018)  (  0.025,  -0.012,   0.017)  ( 0.01,  0.00,  0.00)
166:     bond    (  2.427,  -1.578,   1.180)  (  2.429,  -1.577,   1.181)  ( 0.09,  0.06,  0.04)
166:     angle   (  0.938,   1.300,  -0.193)  (  0.938,   1.300,  -0.193)  ( 0.02,  0.03,  0.00)
166:     strbnd  (  0.253,   0.443,  -0.086)  (  0.253,   0.443,  -0.086)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.194,   0.249,   0.730)  ( -0.194,   0.249,   0.731)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.004,   0.005,   0.016)  ( -0.004,   0.005,   0.014)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.726,   0.545,  -1.869)  ( -0.726,   0.545,  -1.869)  ( 0.01,  0.01,  0.00)
166:     electro ( -2.672,  -0.977,   0.240)  ( -2.672,  -0.977,   0.240)  ( 0.00,  0.00,  0.00)
166: 19       ( -0.014,   3.511,  -4.590)  (  0.033,   3.229,  -4.205)  ( 0.06,  8.04,  8.38)
166:     bond    ( 14.557,  -7.075, -16.796)  ( 14.561,  -7.071, -16.792)  ( 0.03,  0.06,  0.03)
166:     angle   ( -6.287,   1.336,   9.984)  ( -6.284,   1.338,   9.986)  ( 0.04,  0.15,  0.02)
166:     strbnd  ( -1.105,  -2.672,   1.853)  ( -1.106,  -2.672,   1.852)  ( 0.07,  0.04,  0.04)
166:     torsion ( -2.284,   2.619,  -3.338)  ( -2.284,   2.619,  -3.338)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.200,   3.236,  -4.287)  ( -0.160,   2.949,  -3.907)  ( 0.82,  8.88,  8.84)
166:     vdw     ( -0.883,   6.505,   5.249)  ( -0.883,   6.505,   5.250)  ( 0.01,  0.00,  0.00)
166:     electro ( -3.811,  -0.439,   2.744)  ( -3.811,  -0.439,   2.744)  ( 0.00,  0.00,  0.00)
166: 20       (  1.087,   1.726,  -6.160)  (  1.026,   1.634,  -5.527)  ( 5.62,  5.35, 10.28)
166:     bond    ( -3.175,  21.247,  -4.289)  ( -3.171,  21.251,  -4.285)  ( 0.12,  0.02,  0.11)
166:     angle   ( -1.211, -12.477,   2.194)  ( -1.209, -12.475,   2.196)  ( 0.17,  0.02,  0.08)
166:     strbnd  ( -3.415,  -1.229,   2.715)  ( -3.416,  -1.230,   2.715)  ( 0.04,  0.07,  0.01)
166:     torsion ( -0.113,   0.216,   3.410)  ( -0.113,   0.216,   3.410)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.933,   1.474,  -5.351)  (  0.867,   1.376,  -4.724)  ( 6.12,  6.66, 11.72)
166:     vdw     (  9.608,  -0.387,  -5.167)  (  9.608,  -0.387,  -5.167)  ( 0.00,  0.01,  0.00)
166:     electro ( -1.539,  -7.118,   0.328)  ( -1.539,  -7.118,   0.328)  ( 0.00,  0.00,  0.00)
166: 21       (  0.043,   0.049,  -0.100)  (  0.045,   0.051,  -0.100)  ( 0.01,  0.01,  0.01)
166:     bond    (  1.613,  -1.085,   0.142)  (  1.615,  -1.084,   0.142)  ( 0.14,  0.10,  0.00)
166:     angle   ( -3.259,  -5.157,  -2.297)  ( -3.259,  -5.157,  -2.296)  ( 0.01,  0.01,  0.02)
166:     strbnd  ( -0.614,   0.250,  -1.435)  ( -0.614,   0.250,  -1.435)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.131,   0.198,   0.029)  (  0.131,   0.198,   0.029)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.173,   5.843,   3.461)  (  2.173,   5.843,   3.461)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 22       ( -0.097,   0.001,  -0.021)  ( -0.097,   0.002,  -0.017)  ( 0.01,  0.00,  0.01)
166:     bond    ( -0.285,   1.036,  -3.315)  ( -0.285,   1.036,  -3.312)  ( 0.00,  0.03,  0.09)
166:     angle   (  0.181,  -1.068,  -0.350)  (  0.182,  -1.067,  -0.350)  ( 0.01,  0.05,  0.00)
166:     strbnd  (  0.973,  -1.118,   0.103)  (  0.973,  -1.118,   0.103)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.253,  -0.745,  -0.255)  (  0.253,  -0.745,  -0.255)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.220,   1.896,   3.796)  ( -1.220,   1.896,   3.796)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 23       (  0.003,  -0.104,  -0.010)  (  0.007,  -0.098,  -0.004)  ( 0.00,  0.06,  0.01)
166:     bond    ( -3.127, -17.812,   3.460)  ( -3.123, -17.808,   3.465)  ( 0.13,  0.02,  0.13)
166:     angle   (  0.202,   7.188,  -7.171)  (  0.204,   7.190,  -7.169)  ( 0.04,  0.03,  0.02)
166:     strbnd  (  3.369,  -1.380,  -2.585)  (  3.367,  -1.380,  -2.585)  ( 0.04,  0.05,  0.01)
166:     torsion ( -0.244,   1.380,   2.916)  ( -0.244,   1.381,   2.917)  ( 0.00,  0.01,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.952,   7.510,   2.573)  ( -0.952,   7.510,   2.573)  ( 0.00,  0.00,  0.00)
166:     electro (  0.755,   3.009,   0.796)  (  0.755,   3.009,   0.796)  ( 0.00,  0.00,  0.00)
166: 24       (  0.041,   0.038,  -0.066)  (  0.041,   0.040,  -0.065)  ( 0.00,  0.01,  0.01)
166:     bond    (  0.060,   1.792,   1.597)  (  0.060,   1.794,   1.599)  ( 0.00,  0.10,  0.09)
166:     angle   ( -3.575,  -1.364,   1.663)  ( -3.575,  -1.363,   1.664)  ( 0.02,  0.02,  0.02)
166:     strbnd  ( -0.521,   0.527,  -1.117)  ( -0.521,   0.527,  -1.117)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.220,   0.007,  -0.016)  (  0.220,   0.007,  -0.016)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.856,  -0.925,  -2.194)  (  3.857,  -0.925,  -2.194)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 25       (  0.066,  -0.058,  -0.075)  (  0.072,  -0.052,  -0.069)  ( 0.04,  0.03,  0.04)
166:     bond    (-13.633,   0.941,  12.416)  (-13.629,   0.945,  12.421)  ( 0.03,  0.39,  0.04)
166:     angle   (  2.350,   2.416,  -9.408)  (  2.353,   2.418,  -9.406)  ( 0.09,  0.08,  0.02)
166:     strbnd  (  0.055,   4.163,  -0.501)  (  0.054,   4.162,  -0.502)  ( 0.00,  0.03,  0.04)
166:     torsion (  2.065,  -2.248,   1.183)  (  2.065,  -2.248,   1.183)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  6.223,  -3.991,  -2.667)  (  6.223,  -3.991,  -2.667)  ( 0.00,  0.00,  0.00)
166:     electro (  3.006,  -1.338,  -1.097)  (  3.006,  -1.338,  -1.097)  ( 0.00,  0.00,  0.00)
166: 26       ( -0.052,  -0.091,  -0.008)  ( -0.051,  -0.090,  -0.005)  ( 0.00,  0.01,  0.00)
166:     bond    ( -0.508,   1.114,  -2.671)  ( -0.508,   1.115,  -2.668)  ( 0.01,  0.04,  0.10)
166:     angle   ( -3.386,  -1.138,   0.169)  ( -3.386,  -1.138,   0.170)  ( 0.02,  0.04,  0.00)
166:     strbnd  ( -0.285,   1.027,   0.757)  ( -0.285,   1.027,   0.757)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.517,   0.425,   0.276)  ( -0.517,   0.425,   0.276)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.645,  -1.519,   1.461)  (  4.645,  -1.518,   1.461)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 27       ( -0.053,   0.087,   0.044)  ( -0.047,   0.093,   0.047)  ( 0.03,  0.05,  0.01)
166:     bond    (-15.148,  -5.941, -10.039)  (-15.143,  -5.937, -10.037)  ( 0.03,  0.08,  0.02)
166:     angle   ( -5.200,  -8.059,   8.744)  ( -5.198,  -8.058,   8.745)  ( 0.03,  0.02,  0.02)
166:     strbnd  ( -1.543,  -1.202,   1.549)  ( -1.544,  -1.203,   1.548)  ( 0.04,  0.04,  0.03)
166:     torsion ( -0.831,   0.963,  -3.227)  ( -0.831,   0.963,  -3.226)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  6.577,   4.313,  -0.037)  (  6.577,   4.313,  -0.037)  ( 0.00,  0.00,  0.00)
166:     electro ( 16.093,  10.014,   3.054)  ( 16.093,  10.014,   3.054)  ( 0.00,  0.00,  0.00)
166: 28       (  0.001,   0.014,  -0.042)  (  0.002,   0.015,  -0.039)  ( 0.00,  0.00,  0.01)
166:     bond    (  0.463,  -1.202,   2.694)  (  0.464,  -1.202,   2.697)  ( 0.00,  0.05,  0.10)
166:     angle   (  0.035,  -0.321,  -0.149)  (  0.036,  -0.320,  -0.149)  ( 0.00,  0.01,  0.00)
166:     strbnd  ( -0.222,  -0.567,  -1.132)  ( -0.222,  -0.567,  -1.132)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.438,  -1.586,  -0.782)  (  0.438,  -1.586,  -0.782)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.714,   3.690,  -0.674)  ( -0.714,   3.690,  -0.674)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 29       (  0.008,   0.030,   0.008)  (  0.008,   0.032,   0.009)  ( 0.00,  0.01,  0.00)
166:     bond    ( -0.087,  -1.217,  -1.051)  ( -0.087,  -1.215,  -1.050)  ( 0.00,  0.16,  0.14)
166:     angle   ( -0.252,   0.112,  -0.110)  ( -0.251,   0.113,  -0.110)  ( 0.02,  0.00,  0.00)
166:     strbnd  (  0.115,   0.045,   1.331)  (  0.115,   0.045,   1.331)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.210,   0.236,  -0.255)  ( -0.210,   0.236,  -0.255)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.441,   0.855,   0.093)  (  0.441,   0.855,   0.093)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 30       ( -0.057,   0.017,   0.002)  ( -0.054,   0.018,   0.002)  ( 0.02,  0.00,  0.00)
166:     bond    ( -1.435,   0.851,  -0.093)  ( -1.433,   0.852,  -0.093)  ( 0.17,  0.08,  0.00)
166:     angle   ( -0.122,  -0.244,  -0.343)  ( -0.122,  -0.243,  -0.342)  ( 0.00,  0.01,  0.02)
166:     strbnd  (  0.598,  -0.582,   1.034)  (  0.598,  -0.582,   1.034)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.027,  -0.078,  -0.298)  ( -0.027,  -0.078,  -0.297)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.930,   0.070,  -0.299)  (  0.930,   0.070,  -0.299)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 31       (  0.005,  -0.020,   0.028)  (  0.006,  -0.019,   0.031)  ( 0.00,  0.00,  0.01)
166:     bond    (  0.312,  -0.902,   2.849)  (  0.312,  -0.902,   2.852)  ( 0.00,  0.03,  0.11)
166:     angle   ( -0.502,   0.107,   0.089)  ( -0.501,   0.107,   0.089)  ( 0.03,  0.01,  0.00)
166:     strbnd  ( -0.940,   0.677,  -0.469)  ( -0.940,   0.677,  -0.469)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.235,   1.160,   0.502)  ( -1.235,   1.160,   0.502)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.370,  -1.062,  -2.942)  (  2.370,  -1.062,  -2.942)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 32       (  0.003,  -0.016,  -0.010)  (  0.005,  -0.014,  -0.009)  ( 0.00,  0.00,  0.00)
166:     bond    ( -0.021,  -0.018,   0.009)  ( -0.019,  -0.016,   0.009)  ( 0.00,  0.00,  0.00)
166:     angle   ( -0.160,   0.222,   0.062)  ( -0.160,   0.222,   0.062)  ( 0.00,  0.01,  0.00)
166:     strbnd  ( -0.521,   0.030,  -0.937)  ( -0.521,   0.030,  -0.938)  ( 0.00,  0.00,  0.01)
166:     torsion (  0.592,  -0.069,   1.057)  (  0.592,  -0.069,   1.057)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.902,   0.369,   0.423)  (  0.902,   0.369,   0.423)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.789,  -0.550,  -0.623)  ( -0.789,  -0.550,  -0.623)  ( 0.00,  0.00,  0.00)
166: 33       ( -0.030,  -0.053,   0.105)  ( -0.019,  -0.047,   0.022)  ( 0.03,  0.03,  0.87)
166:     bond    ( -1.616,  -9.765,   0.189)  ( -1.616,  -9.756,   0.189)  ( 0.01,  0.10,  0.00)
166:     angle   ( 20.636,  -3.367,   2.623)  ( 20.637,  -3.367,   2.623)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  0.680,   2.049,   0.006)  (  0.680,   2.049,   0.006)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.339,   0.113,   2.931)  ( -0.339,   0.113,   2.931)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.045,   0.015,   0.377)  ( -0.035,   0.012,   0.294)  ( 0.04,  0.00,  3.13)
166:     vdw     ( -3.314,  -1.163,  -1.055)  ( -3.314,  -1.163,  -1.055)  ( 0.00,  0.00,  0.00)
166:     electro (-16.031,  12.066,  -4.968)  (-16.031,  12.066,  -4.968)  ( 0.00,  0.00,  0.00)
166: 34       (  0.021,   0.161,   0.031)  (  0.031,   0.164,  -0.005)  ( 0.02,  0.05,  0.11)
166:     bond    ( -3.927,   2.786,  -0.594)  ( -3.921,   2.789,  -0.594)  ( 0.15,  0.13,  0.00)
166:     angle   ( 16.132,  -2.853,   2.371)  ( 16.132,  -2.852,   2.372)  ( 0.00,  0.05,  0.01)
166:     strbnd  ( -0.845,   3.072,  -0.258)  ( -0.845,   3.072,  -0.258)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.144,  -0.049,  -1.174)  (  0.144,  -0.049,  -1.173)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.036,   0.013,   0.294)  ( -0.031,   0.011,   0.258)  ( 0.02,  0.00,  1.06)
166:     vdw     (-11.558,  -6.965,   1.339)  (-11.558,  -6.965,   1.339)  ( 0.00,  0.00,  0.00)
166:     electro (  0.110,   4.158,  -1.948)  (  0.110,   4.158,  -1.948)  ( 0.00,  0.00,  0.00)
166: 35       ( -0.101,  -0.084,  -0.013)  ( -0.097,  -0.081,  -0.013)  ( 0.04,  0.02,  0.00)
166:     bond    (  0.234,   0.187,   0.015)  (  0.238,   0.189,   0.015)  ( 0.08,  0.04,  0.00)
166:     angle   ( -9.135,  11.640,  -1.684)  ( -9.135,  11.640,  -1.684)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( -1.252,  -0.773,  -0.092)  ( -1.252,  -0.773,  -0.092)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.050,  -0.027,  -0.452)  (  0.050,  -0.027,  -0.452)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.204,   0.155,  -0.034)  ( -0.204,   0.155,  -0.034)  ( 0.00,  0.00,  0.00)
166:     electro ( 10.207, -11.265,   2.235)  ( 10.207, -11.265,   2.235)  ( 0.00,  0.00,  0.00)
166: 36       (  0.023,  -0.029,  -0.012)  (  0.030,  -0.025,  -0.007)  ( 0.01,  0.01,  0.01)
166:     bond    (  1.340,  -4.011,  -2.272)  (  1.346,  -4.008,  -2.268)  ( 0.45,  0.07,  0.18)
166:     angle   ( -1.289,   0.664,   1.982)  ( -1.288,   0.666,   1.984)  ( 0.08,  0.10,  0.10)
166:     strbnd  (  0.232,  -0.792,   0.487)  (  0.231,  -0.793,   0.486)  ( 0.02,  0.03,  0.03)
166:     torsion ( -1.155,   0.195,  -0.282)  ( -1.155,   0.195,  -0.282)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.717,   5.471,   0.093)  (  0.717,   5.471,   0.093)  ( 0.00,  0.00,  0.00)
166:     electro (  0.179,  -1.556,  -0.020)  (  0.179,  -1.556,  -0.020)  ( 0.00,  0.00,  0.00)
166: 37       (  0.029,   0.043,  -0.047)  (  0.034,   0.047,  -0.041)  ( 0.01,  0.02,  0.03)
166:     bond    (  1.435,  -3.700,  -1.718)  (  1.438,  -3.696,  -1.713)  ( 0.27,  0.10,  0.31)
166:     angle   (  0.328,   0.545,   0.556)  (  0.329,   0.546,   0.558)  ( 0.03,  0.08,  0.12)
166:     strbnd  ( -0.069,  -0.300,   0.440)  ( -0.069,  -0.301,   0.439)  ( 0.00,  0.01,  0.04)
166:     torsion (  0.956,   0.601,   0.479)  (  0.956,   0.601,   0.479)  ( 0.01,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.832,   4.136,   0.355)  ( -2.832,   4.136,   0.355)  ( 0.00,  0.00,  0.00)
166:     electro (  0.210,  -1.238,  -0.159)  (  0.210,  -1.238,  -0.159)  ( 0.00,  0.00,  0.00)
166: 38       ( -0.013,   0.017,  -0.005)  ( -0.012,   0.019,  -0.003)  ( 0.00,  0.00,  0.00)
166:     bond    (  0.435,  -0.767,   0.899)  (  0.435,  -0.766,   0.901)  ( 0.02,  0.11,  0.17)
166:     angle   (  0.496,   0.229,  -0.045)  (  0.496,   0.229,  -0.045)  ( 0.03,  0.00,  0.00)
166:     strbnd  ( -0.157,   0.213,  -0.446)  ( -0.157,   0.213,  -0.446)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.563,  -0.012,  -0.282)  (  0.563,  -0.012,  -0.283)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.724,   0.200,   0.015)  ( -0.724,   0.200,   0.015)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.625,   0.154,  -0.145)  ( -0.625,   0.154,  -0.145)  ( 0.00,  0.00,  0.00)
166: 39       ( -0.005,  -0.008,   0.012)  ( -0.003,  -0.007,   0.014)  ( 0.00,  0.00,  0.00)
166:     bond    (  0.863,   0.325,  -0.866)  (  0.864,   0.325,  -0.865)  ( 0.15,  0.01,  0.15)
166:     angle   (  0.432,  -1.789,  -0.241)  (  0.433,  -1.789,  -0.241)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( -0.148,  -0.179,   0.111)  ( -0.148,  -0.179,   0.111)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.500,  -0.248,   0.406)  (  0.500,  -0.248,   0.406)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.310,   2.013,   0.436)  ( -1.310,   2.013,   0.436)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.342,  -0.130,   0.167)  ( -0.342,  -0.130,   0.167)  ( 0.00,  0.00,  0.00)
166: 40       ( -0.029,  -0.039,   0.034)  ( -0.028,  -0.036,   0.035)  ( 0.00,  0.01,  0.00)
166:     bond    ( -0.592,  -0.813,   0.455)  ( -0.591,  -0.811,   0.456)  ( 0.06,  0.16,  0.03)
166:     angle   ( -0.349,   0.064,  -0.339)  ( -0.348,   0.064,  -0.339)  ( 0.01,  0.00,  0.02)
166:     strbnd  (  0.254,   0.177,  -0.194)  (  0.254,   0.177,  -0.194)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.231,  -0.135,  -0.540)  ( -0.231,  -0.135,  -0.540)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.504,   0.376,   0.413)  (  0.504,   0.376,   0.413)  ( 0.00,  0.00,  0.00)
166:     electro (  0.385,   0.292,   0.238)  (  0.385,   0.292,   0.238)  ( 0.00,  0.00,  0.00)
166: 41       (  0.005,  -0.012,   0.021)  (  0.005,  -0.011,   0.024)  ( 0.00,  0.00,  0.01)
166:     bond    ( -0.265,   0.213,  -1.387)  ( -0.265,   0.213,  -1.384)  ( 0.00,  0.00,  0.25)
166:     angle   ( -0.002,  -0.794,  -0.122)  ( -0.001,  -0.793,  -0.122)  ( 0.00,  0.04,  0.00)
166:     strbnd  (  0.104,  -0.149,   0.254)  (  0.104,  -0.149,   0.254)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.534,  -0.473,   0.029)  ( -0.534,  -0.473,   0.029)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.465,   1.537,   0.914)  (  0.465,   1.537,   0.914)  ( 0.00,  0.00,  0.00)
166:     electro (  0.237,  -0.346,   0.332)  (  0.237,  -0.346,   0.332)  ( 0.00,  0.00,  0.00)
166: 42       (  0.013,   0.008,  -0.041)  (  0.014,   0.009,  -0.038)  ( 0.00,  0.00,  0.01)
166:     bond    ( -1.424,  -0.121,   4.422)  ( -1.424,  -0.120,   4.425)  ( 0.03,  0.00,  0.07)
166:     angle   (  0.750,  -1.072,   0.212)  (  0.750,  -1.071,   0.212)  ( 0.02,  0.08,  0.00)
166:     strbnd  (  0.500,  -0.190,  -1.471)  (  0.500,  -0.190,  -1.471)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.246,   0.662,  -0.061)  ( -0.246,   0.662,  -0.061)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.074,   0.895,  -1.822)  ( -0.074,   0.895,  -1.822)  ( 0.00,  0.00,  0.00)
166:     electro (  0.507,  -0.167,  -1.321)  (  0.507,  -0.167,  -1.321)  ( 0.00,  0.00,  0.00)
166: ok 24 # gradients 
166: ok 25 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
166:  1       (  0.094,  -0.054,   0.252)  (  0.101,  -0.049,   0.257)  ( 0.07,  0.03,  0.12)
166:     bond    (  0.405,   3.441,   0.242)  (  0.412,   3.445,   0.242)  ( 0.28,  0.13,  0.00)
166:     angle   ( -0.409,   0.650,  -0.195)  ( -0.408,   0.652,  -0.195)  ( 0.06,  0.11,  0.00)
166:     strbnd  ( -0.322,  -4.041,  -0.254)  ( -0.322,  -4.042,  -0.254)  ( 0.01,  0.03,  0.00)
166:     torsion ( -0.032,  -0.018,   0.320)  ( -0.032,  -0.018,   0.321)  ( 0.00,  0.00,  0.03)
166:     oop     (  0.002,   0.001,  -0.014)  (  0.001,   0.001,  -0.011)  ( 0.00,  0.00,  0.01)
166:     vdw     ( -0.047,  -0.020,  -0.019)  ( -0.047,  -0.020,  -0.019)  ( 0.00,  0.00,  0.00)
166:     electro (  0.497,  -0.068,   0.172)  (  0.497,  -0.068,   0.172)  ( 0.00,  0.00,  0.00)
166:  2       ( -0.202,  -0.384,   0.053)  ( -0.198,  -0.377,   0.070)  ( 0.09,  0.28,  0.09)
166:     bond    (  3.541,  -2.137,   0.264)  (  3.546,  -2.131,   0.265)  ( 0.15,  0.30,  0.00)
166:     angle   (  1.746,   1.275,   0.298)  (  1.748,   1.277,   0.298)  ( 0.10,  0.14,  0.00)
166:     strbnd  ( -2.090,   1.285,  -0.146)  ( -2.091,   1.285,  -0.146)  ( 0.05,  0.01,  0.00)
166:     torsion (  0.033,   0.016,  -0.297)  (  0.034,   0.016,  -0.296)  ( 0.00,  0.00,  0.04)
166:     oop     (  0.010,   0.005,  -0.088)  (  0.009,   0.004,  -0.072)  ( 0.00,  0.00,  0.14)
166:     vdw     ( -3.041,  -0.539,  -0.132)  ( -3.041,  -0.539,  -0.132)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.403,  -0.288,   0.154)  ( -0.403,  -0.288,   0.154)  ( 0.00,  0.00,  0.00)
166:  3       ( -0.110,   0.062,   0.058)  ( -0.093,   0.078,  -0.064)  ( 0.18,  0.10,  0.70)
166:     bond    ( 10.808,   8.532,   1.851)  ( 10.812,   8.538,   1.851)  ( 0.04,  0.07,  0.01)
166:     angle   ( -1.280, -12.576,  -1.628)  ( -1.278, -12.574,  -1.628)  ( 0.16,  0.02,  0.03)
166:     strbnd  ( -2.662,  -2.231,  -0.989)  ( -2.662,  -2.232,  -0.989)  ( 0.02,  0.03,  0.01)
166:     torsion ( -0.153,   0.061,   1.120)  ( -0.153,   0.061,   1.121)  ( 0.00,  0.00,  0.09)
166:     oop     ( -0.073,  -0.051,   0.782)  ( -0.062,  -0.043,   0.659)  ( 0.08,  0.04,  9.60)
166:     vdw     ( -8.513,   7.070,  -1.049)  ( -8.513,   7.070,  -1.049)  ( 0.00,  0.00,  0.00)
166:     electro (  1.764,  -0.743,  -0.030)  (  1.764,  -0.743,  -0.030)  ( 0.00,  0.00,  0.00)
166:  4       ( -0.088,  -0.102,  -0.382)  ( -0.110,  -0.122,  -0.055)  ( 0.20,  0.20, 12.48)
166:     bond    ( 20.270,  -4.350,   1.475)  ( 20.275,  -4.343,   1.476)  ( 0.02,  0.15,  0.01)
166:     angle   ( 12.458,  12.739,   3.115)  ( 12.460,  12.741,   3.115)  ( 0.02,  0.01,  0.01)
166:     strbnd  (-17.883,  -3.513,  -1.809)  (-17.884,  -3.514,  -1.809)  ( 0.01,  0.03,  0.00)
166:     torsion (  0.036,   0.065,  -1.684)  (  0.036,   0.065,  -1.683)  ( 0.00,  0.00,  0.04)
166:     oop     (  0.171,   0.149,  -1.871)  (  0.143,   0.122,  -1.545)  ( 0.48,  0.40, 17.39)
166:     vdw     (-12.241,  -4.949,   0.142)  (-12.241,  -4.949,   0.142)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.899,  -0.244,   0.249)  ( -2.899,  -0.244,   0.249)  ( 0.00,  0.00,  0.00)
166:  5       ( -0.068,  -0.017,  -0.125)  ( -0.065,  -0.011,  -0.110)  ( 0.02,  0.01,  0.19)
166:     bond    (  1.518, -21.327,  -9.249)  (  1.522, -21.323,  -9.244)  ( 0.25,  0.02,  0.05)
166:     angle   ( -8.489,  14.472,   7.087)  ( -8.487,  14.475,   7.088)  ( 0.02,  0.02,  0.02)
166:     strbnd  ( 11.557,   1.653,   2.302)  ( 11.556,   1.652,   2.302)  ( 0.01,  0.05,  0.02)
166:     torsion ( -0.182,   0.061,  -1.411)  ( -0.182,   0.061,  -1.410)  ( 0.00,  0.00,  0.02)
166:     oop     (  0.005,   0.003,  -0.040)  (  0.004,   0.002,  -0.031)  ( 0.00,  0.00,  0.04)
166:     vdw     ( -7.969,   3.574,   1.404)  ( -7.968,   3.574,   1.404)  ( 0.00,  0.00,  0.00)
166:     electro (  3.491,   1.548,  -0.219)  (  3.491,   1.548,  -0.219)  ( 0.00,  0.00,  0.00)
166:  6       (  0.024,  -0.167,   0.098)  (  0.036,  -0.156,   0.018)  ( 0.03,  0.18,  0.79)
166:     bond    ( -9.999,  -4.566,  -1.383)  ( -9.996,  -4.563,  -1.383)  ( 0.03,  0.06,  0.00)
166:     angle   (  0.723,  -4.226,  -0.076)  (  0.723,  -4.225,  -0.077)  ( 0.04,  0.03,  0.00)
166:     strbnd  ( 12.551,   6.889,   1.807)  ( 12.551,   6.889,   1.807)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.080,   0.020,  -0.668)  (  0.080,   0.020,  -0.667)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.057,  -0.045,   0.532)  ( -0.048,  -0.038,   0.452)  ( 0.05,  0.03,  4.28)
166:     vdw     ( -3.283,   1.455,  -0.244)  ( -3.283,   1.455,  -0.244)  ( 0.00,  0.00,  0.00)
166:     electro (  0.009,   0.307,   0.130)  (  0.009,   0.307,   0.130)  ( 0.00,  0.00,  0.00)
166:  7       ( -0.002,   0.041,  -0.083)  (  0.003,   0.047,  -0.081)  ( 0.00,  0.02,  0.02)
166:     bond    ( 10.203,   5.616,  25.277)  ( 10.207,   5.620,  25.278)  ( 0.04,  0.07,  0.00)
166:     angle   (-14.427,   4.571, -29.699)  (-14.425,   4.572, -29.697)  ( 0.01,  0.03,  0.01)
166:     strbnd  (  1.147,  -1.228,  -0.703)  (  1.146,  -1.229,  -0.703)  ( 0.05,  0.04,  0.03)
166:     torsion (  1.193,  -0.605,  -0.282)  (  1.193,  -0.605,  -0.282)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  5.912,   0.367,   4.636)  (  5.912,   0.367,   4.636)  ( 0.00,  0.00,  0.00)
166:     electro ( -4.030,  -8.679,   0.687)  ( -4.030,  -8.679,   0.687)  ( 0.00,  0.00,  0.00)
166:  8       ( -0.124,  -0.019,  -0.296)  ( -0.123,  -0.017,  -0.295)  ( 0.01,  0.01,  0.03)
166:     bond    ( -0.019,  -0.836,   0.410)  ( -0.019,  -0.833,   0.411)  ( 0.00,  0.23,  0.03)
166:     angle   (  4.770,  -0.609,  -1.012)  (  4.771,  -0.609,  -1.012)  ( 0.01,  0.01,  0.04)
166:     strbnd  (  0.249,   0.128,  -1.740)  (  0.249,   0.128,  -1.740)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.173,  -0.083,  -0.176)  ( -0.173,  -0.083,  -0.176)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -4.951,   1.380,   2.222)  ( -4.951,   1.380,   2.222)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  9       ( -0.069,   0.131,  -0.224)  ( -0.068,   0.132,  -0.221)  ( 0.01,  0.01,  0.07)
166:     bond    ( -0.548,  -0.489,  -3.470)  ( -0.548,  -0.489,  -3.467)  ( 0.01,  0.00,  0.09)
166:     angle   (  2.634,  -1.083,  -0.264)  (  2.635,  -1.082,  -0.264)  ( 0.02,  0.05,  0.00)
166:     strbnd  (  0.419,  -1.396,   0.765)  (  0.419,  -1.396,   0.765)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.167,  -0.223,   0.058)  ( -0.167,  -0.223,   0.058)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.406,   3.323,   2.687)  ( -2.406,   3.323,   2.687)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 10       ( -0.074,  -0.055,  -0.182)  ( -0.069,  -0.050,  -0.177)  ( 0.04,  0.03,  0.10)
166:     bond    (-15.381,  12.089, -12.058)  (-15.377,  12.093, -12.053)  ( 0.02,  0.04,  0.04)
166:     angle   (  8.484, -11.406,  11.903)  (  8.487, -11.404,  11.904)  ( 0.03,  0.02,  0.01)
166:     strbnd  (  4.060,   9.673,   0.443)  (  4.059,   9.672,   0.443)  ( 0.02,  0.01,  0.02)
166:     torsion (  1.330,  -0.770,  -1.490)  (  1.330,  -0.769,  -1.490)  ( 0.01,  0.00,  0.01)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.699, -11.336,   1.328)  (  1.699, -11.336,   1.328)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.266,   1.694,  -0.308)  ( -0.266,   1.694,  -0.308)  ( 0.00,  0.00,  0.00)
166: 11       (  0.037,  -0.007,  -0.105)  (  0.053,   0.011,  -0.240)  ( 0.06,  0.01,  1.41)
166:     bond    (  9.639,  15.878,   4.037)  (  9.642,  15.883,   4.041)  ( 0.04,  0.03,  0.11)
166:     angle   ( -9.172,  -2.161,  -6.458)  ( -9.170,  -2.158,  -6.456)  ( 0.02,  0.11,  0.02)
166:     strbnd  (  1.149,  -6.264,  -0.982)  (  1.147,  -6.265,  -0.982)  ( 0.10,  0.02,  0.04)
166:     torsion ( -0.350,  -0.442,   3.225)  ( -0.350,  -0.442,   3.225)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.054,  -0.059,   0.659)  ( -0.042,  -0.046,   0.518)  ( 0.06,  0.07,  9.28)
166:     vdw     ( -0.242,  -4.058,  -0.450)  ( -0.242,  -4.058,  -0.450)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.932,  -2.902,  -0.135)  ( -0.932,  -2.902,  -0.135)  ( 0.00,  0.00,  0.00)
166: 12       (  0.007,   0.058,  -0.013)  (  0.009,   0.059,  -0.013)  ( 0.00,  0.01,  0.00)
166:     bond    ( -1.070,   0.929,   0.454)  ( -1.069,   0.931,   0.454)  ( 0.16,  0.12,  0.01)
166:     angle   (  4.468,   5.608,  -0.977)  (  4.468,   5.608,  -0.977)  ( 0.01,  0.01,  0.05)
166:     strbnd  (  0.788,  -0.295,  -1.704)  (  0.788,  -0.295,  -1.704)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.551,  -1.028,   0.811)  ( -0.551,  -1.028,   0.811)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.628,  -5.157,   1.404)  ( -3.628,  -5.157,   1.404)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 13       ( -0.120,   0.039,  -0.037)  ( -0.119,   0.040,  -0.033)  ( 0.01,  0.00,  0.01)
166:     bond    ( -0.328,  -0.292,  -3.901)  ( -0.328,  -0.292,  -3.897)  ( 0.00,  0.00,  0.08)
166:     angle   ( -0.446,   1.585,  -0.081)  ( -0.446,   1.585,  -0.081)  ( 0.02,  0.04,  0.00)
166:     strbnd  ( -0.722,   1.212,   0.784)  ( -0.722,   1.212,   0.784)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.435,   1.492,  -0.075)  ( -0.435,   1.492,  -0.075)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.812,  -3.957,   3.236)  (  1.812,  -3.957,   3.236)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 14       (  0.067,   0.147,  -0.288)  (  0.068,   0.148,  -0.285)  ( 0.00,  0.01,  0.08)
166:     bond    ( -0.175,   1.062,   2.357)  ( -0.175,   1.063,   2.360)  ( 0.00,  0.05,  0.12)
166:     angle   ( -0.080,  -0.961,   0.427)  ( -0.080,  -0.961,   0.427)  ( 0.00,  0.04,  0.00)
166:     strbnd  (  0.554,   0.475,  -1.094)  (  0.554,   0.475,  -1.094)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.550,   1.444,  -0.691)  ( -0.550,   1.444,  -0.691)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.318,  -1.873,  -1.287)  (  0.318,  -1.873,  -1.287)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 15       (  0.046,  -0.135,  -0.333)  (  0.047,  -0.133,  -0.331)  ( 0.00,  0.03,  0.06)
166:     bond    (  0.373,   1.480,  -1.330)  (  0.373,   1.482,  -1.328)  ( 0.00,  0.12,  0.11)
166:     angle   ( -2.004,   0.579,   0.084)  ( -2.004,   0.580,   0.085)  ( 0.03,  0.01,  0.00)
166:     strbnd  (  0.258,   0.339,   0.948)  (  0.258,   0.339,   0.948)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.462,  -0.620,  -0.562)  (  0.462,  -0.620,  -0.562)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.958,  -1.914,   0.528)  (  0.958,  -1.914,   0.528)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 16       ( -0.222,  -0.176,   0.346)  ( -0.217,  -0.175,   0.343)  ( 0.09,  0.02,  0.10)
166:     bond    (  0.758,  -0.200,   0.086)  (  0.762,  -0.200,   0.086)  ( 0.28,  0.01,  0.00)
166:     angle   (  0.078,   0.315,   0.044)  (  0.078,   0.315,   0.044)  ( 0.00,  0.02,  0.00)
166:     strbnd  ( -0.224,   0.410,  -0.006)  ( -0.224,   0.410,  -0.006)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.053,  -0.023,   0.416)  ( -0.053,  -0.023,   0.416)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.002,  -0.001,   0.014)  ( -0.001,  -0.001,   0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.370,  -0.087,  -0.051)  ( -0.370,  -0.087,  -0.051)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.409,  -0.590,  -0.156)  ( -0.409,  -0.590,  -0.156)  ( 0.00,  0.00,  0.00)
166: 17       ( -0.172,  -0.001,   0.210)  ( -0.170,   0.003,   0.205)  ( 0.02,  0.00,  0.11)
166:     bond    (  0.202,  -2.402,  -0.106)  (  0.202,  -2.398,  -0.106)  ( 0.00,  0.16,  0.00)
166:     angle   (  0.155,   0.010,   0.062)  (  0.156,   0.010,   0.062)  ( 0.01,  0.00,  0.00)
166:     strbnd  (  0.312,   1.242,   0.101)  (  0.312,   1.242,   0.101)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.037,  -0.018,   0.329)  ( -0.037,  -0.018,   0.329)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.003,  -0.001,   0.025)  ( -0.002,  -0.001,   0.019)  ( 0.00,  0.00,  0.01)
166:     vdw     ( -0.532,   0.720,  -0.009)  ( -0.532,   0.720,  -0.009)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.269,   0.447,  -0.192)  ( -0.269,   0.447,  -0.192)  ( 0.00,  0.00,  0.00)
166: 18       ( -0.081,  -0.033,  -0.057)  ( -0.060,  -0.053,  -0.067)  ( 0.17,  0.07,  0.06)
166:     bond    ( -6.379,   0.928, -24.889)  ( -6.375,   0.931, -24.885)  ( 0.06,  0.30,  0.02)
166:     angle   (  9.056,   0.616,  23.534)  (  9.058,   0.619,  23.536)  ( 0.02,  0.14,  0.01)
166:     strbnd  ( -5.196,  -2.586,  -0.461)  ( -5.197,  -2.587,  -0.462)  ( 0.03,  0.04,  0.02)
166:     torsion (  1.569,  -1.208,   0.648)  (  1.569,  -1.208,   0.648)  ( 0.00,  0.01,  0.00)
166:     oop     ( -0.120,   0.144,   0.106)  ( -0.104,   0.120,   0.090)  ( 0.19,  0.35,  0.17)
166:     vdw     (  1.409,   4.724,  -3.655)  (  1.409,   4.724,  -3.655)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.420,  -2.651,   4.661)  ( -0.420,  -2.651,   4.661)  ( 0.00,  0.00,  0.00)
166: 19       ( -0.058,   0.004,   0.349)  ( -0.047,   0.015,   0.354)  ( 0.06,  0.00,  0.19)
166:     bond    ( -2.284,   1.490,  -1.564)  ( -2.281,   1.492,  -1.560)  ( 0.13,  0.13,  0.31)
166:     angle   ( -1.097,  -5.742,  -2.880)  ( -1.096,  -5.741,  -2.878)  ( 0.12,  0.02,  0.06)
166:     strbnd  (  3.814,  -3.033,   2.137)  (  3.814,  -3.033,   2.137)  ( 0.01,  0.00,  0.01)
166:     torsion (  0.420,   0.671,  -0.162)  (  0.420,   0.672,  -0.162)  ( 0.02,  0.04,  0.00)
166:     oop     ( -0.056,  -0.065,   0.006)  ( -0.050,  -0.058,   0.005)  ( 0.04,  0.05,  0.00)
166:     vdw     ( -0.306,   9.504,   2.421)  ( -0.306,   9.504,   2.421)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.549,  -2.822,   0.391)  ( -0.549,  -2.822,   0.391)  ( 0.00,  0.00,  0.00)
166: 20       (  0.614,   0.560,   0.386)  (  0.502,   0.609,   0.460)  ( 6.89,  2.73,  2.86)
166:     bond    ( -2.231, -20.883,   8.347)  ( -2.227, -20.877,   8.352)  ( 0.15,  0.03,  0.06)
166:     angle   ( -4.426,  15.205,  -3.475)  ( -4.426,  15.207,  -3.473)  ( 0.02,  0.01,  0.05)
166:     strbnd  ( -4.771,  -2.312,  -7.995)  ( -4.772,  -2.313,  -7.996)  ( 0.01,  0.04,  0.02)
166:     torsion ( -2.925,   0.824,   1.217)  ( -2.924,   0.824,   1.217)  ( 0.01,  0.00,  0.00)
166:     oop     (  0.652,  -0.226,  -0.380)  (  0.536,  -0.185,  -0.311)  ( 7.57,  0.92,  2.60)
166:     vdw     (  7.151,   3.310,   3.612)  (  7.151,   3.310,   3.612)  ( 0.00,  0.00,  0.00)
166:     electro (  7.163,   4.641,  -0.940)  (  7.163,   4.641,  -0.940)  ( 0.00,  0.00,  0.00)
166: 21       ( -0.124,  -0.034,   0.051)  ( -0.123,  -0.033,   0.055)  ( 0.01,  0.00,  0.02)
166:     bond    ( -0.235,  -0.308,  -2.219)  ( -0.235,  -0.308,  -2.216)  ( 0.00,  0.00,  0.15)
166:     angle   (  4.698,  -5.851,   0.315)  (  4.699,  -5.850,   0.315)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -0.581,  -0.336,   1.443)  ( -0.581,  -0.336,   1.443)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.301,   0.144,   0.118)  ( -1.301,   0.144,   0.118)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.704,   6.318,   0.395)  ( -2.704,   6.318,   0.395)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 22       ( -0.190,  -0.210,  -0.397)  ( -0.195,  -0.220,  -0.390)  ( 0.10,  0.21,  0.27)
166:     bond    (  7.110,  -5.000,  16.974)  (  7.113,  -4.998,  16.979)  ( 0.05,  0.04,  0.03)
166:     angle   ( -2.542,   1.862,  -6.168)  ( -2.541,   1.862,  -6.166)  ( 0.04,  0.04,  0.03)
166:     strbnd  ( -2.998,   2.586,   2.923)  ( -2.998,   2.586,   2.923)  ( 0.00,  0.00,  0.01)
166:     torsion (  0.187,   0.206,   0.004)  (  0.187,   0.207,   0.004)  ( 0.01,  0.02,  0.00)
166:     oop     (  0.071,   0.090,  -0.001)  (  0.060,   0.076,  -0.000)  ( 0.07,  0.12,  0.00)
166:     vdw     ( -3.409,   1.113, -13.213)  ( -3.409,   1.113, -13.213)  ( 0.00,  0.01,  0.00)
166:     electro (  1.392,  -1.067,  -0.917)  (  1.392,  -1.067,  -0.917)  ( 0.00,  0.00,  0.00)
166: 23       ( -0.334,  -0.228,   0.485)  ( -0.328,  -0.223,   0.493)  ( 0.22,  0.13,  0.36)
166:     bond    ( -4.764,   3.427,  11.494)  ( -4.760,   3.429,  11.499)  ( 0.07,  0.06,  0.05)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 57       ( -0.222,  -0.711,   1.702)  ( -0.221,  -0.708,   1.703)  ( 0.02,  0.16,  0.07)
168:     bond    ( -1.423,  -3.015,   1.849)  ( -1.423,  -3.013,   1.849)  ( 0.03,  0.07,  0.04)
168:     angle   (  1.191,  -0.586,  -0.038)  (  1.192,  -0.586,  -0.038)  ( 0.04,  0.01,  0.00)
168:     strbnd  (  0.927,   0.636,  -0.840)  (  0.927,   0.636,  -0.840)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.670,   0.208,   0.854)  (  0.670,   0.208,   0.854)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.587,   2.046,  -0.123)  ( -1.587,   2.046,  -0.123)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 58       ( -1.065,  -1.279,  -1.213)  ( -1.063,  -1.277,  -1.212)  ( 0.14,  0.19,  0.05)
168:     bond    ( -0.341,   0.461,   0.108)  ( -0.340,   0.463,   0.108)  ( 0.04,  0.10,  0.00)
168:     angle   ( -2.386,  -1.529,  -0.965)  ( -2.386,  -1.529,  -0.964)  ( 0.01,  0.01,  0.04)
168:     strbnd  ( -0.455,  -0.647,  -0.480)  ( -0.455,  -0.647,  -0.480)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.014,   0.020,  -0.041)  (  0.014,   0.020,  -0.041)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.104,   0.416,   0.164)  (  2.104,   0.416,   0.164)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 59       ( -1.070,  -1.140,  -0.343)  ( -1.069,  -1.138,  -0.342)  ( 0.10,  0.20,  0.03)
168:     bond    ( -1.369,  -2.487,   1.248)  ( -1.368,  -2.484,   1.248)  ( 0.05,  0.09,  0.04)
168:     angle   ( -1.624,   0.072,  -1.636)  ( -1.623,   0.072,  -1.636)  ( 0.03,  0.00,  0.03)
168:     strbnd  ( -0.372,   0.804,  -0.765)  ( -0.372,   0.804,  -0.765)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.290,   0.448,   0.574)  ( -0.290,   0.448,   0.574)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.584,   0.022,   0.237)  (  2.584,   0.022,   0.237)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 60       ( -0.358,  -1.910,  -0.423)  ( -0.357,  -1.909,  -0.420)  ( 0.02,  0.03,  0.14)
168:     bond    (  0.061,  -0.358,  -2.470)  (  0.061,  -0.358,  -2.467)  ( 0.00,  0.00,  0.13)
168:     angle   ( -2.334,  -1.222,   0.119)  ( -2.334,  -1.222,   0.119)  ( 0.02,  0.04,  0.00)
168:     strbnd  ( -0.879,   0.068,   0.565)  ( -0.879,   0.068,   0.565)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.016,  -0.218,   0.032)  (  0.016,  -0.218,   0.032)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.778,  -0.179,   1.331)  (  2.778,  -0.179,   1.331)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 61       ( -1.170,  -0.189,   0.037)  ( -1.168,  -0.188,   0.038)  ( 0.25,  0.01,  0.00)
168:     bond    ( -0.428,  -0.103,  -0.175)  ( -0.426,  -0.103,  -0.175)  ( 0.12,  0.00,  0.01)
168:     angle   ( -0.331,  -3.245,   2.709)  ( -0.331,  -3.244,   2.710)  ( 0.00,  0.01,  0.02)
168:     strbnd  ( -0.890,  -0.655,   0.505)  ( -0.890,  -0.655,   0.505)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.146,   0.349,   0.151)  ( -0.146,   0.349,   0.152)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.626,   3.464,  -3.153)  (  0.626,   3.464,  -3.153)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 62       ( -1.757,   0.318,   0.260)  ( -1.756,   0.322,   0.261)  ( 0.03,  0.11,  0.02)
168:     bond    (  0.021,   0.242,  -0.008)  (  0.021,   0.246,  -0.008)  ( 0.00,  0.08,  0.00)
168:     angle   (  2.576,  -0.098,   3.676)  (  2.576,  -0.098,   3.677)  ( 0.02,  0.00,  0.01)
168:     strbnd  (  0.261,   0.641,   0.904)  (  0.261,   0.642,   0.904)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.156,  -0.106,  -0.183)  (  1.156,  -0.106,  -0.183)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.770,  -0.362,  -4.129)  ( -5.770,  -0.362,  -4.129)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 63       ( -1.163,   0.855,  -0.571)  ( -1.161,   0.856,  -0.570)  ( 0.16,  0.08,  0.09)
168:     bond    ( -1.786,   1.024,   1.583)  ( -1.785,   1.024,   1.584)  ( 0.09,  0.05,  0.08)
168:     angle   (  0.428,  -0.094,   0.542)  (  0.428,  -0.094,   0.543)  ( 0.01,  0.00,  0.02)
168:     strbnd  (  0.673,  -0.673,   0.446)  (  0.673,  -0.673,   0.446)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.227,  -0.276,  -0.077)  ( -0.227,  -0.276,  -0.077)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.250,   0.874,  -3.065)  ( -0.250,   0.874,  -3.065)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 64       (  0.790,  -0.989,   0.790)  (  0.793,  -0.989,   0.791)  ( 0.25,  0.06,  0.06)
168:     bond    (  0.666,   0.107,  -0.162)  (  0.670,   0.108,  -0.162)  ( 0.21,  0.00,  0.00)
168:     angle   ( -0.821,  -2.989,  -5.388)  ( -0.821,  -2.989,  -5.387)  ( 0.00,  0.02,  0.01)
168:     strbnd  ( -1.303,  -0.763,  -0.758)  ( -1.303,  -0.763,  -0.758)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.159,  -0.563,   0.283)  (  0.159,  -0.563,   0.283)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.089,   3.218,   6.815)  (  2.089,   3.218,   6.815)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 65       (  1.612,   1.583,  -0.244)  (  1.613,   1.584,  -0.242)  ( 0.09,  0.07,  0.05)
168:     bond    ( -0.305,   0.226,  -0.426)  ( -0.304,   0.227,  -0.424)  ( 0.03,  0.01,  0.08)
168:     angle   (  3.626,  -2.262,  -3.808)  (  3.626,  -2.262,  -3.808)  ( 0.01,  0.02,  0.01)
168:     strbnd  (  0.994,  -1.017,  -0.192)  (  0.994,  -1.017,  -0.192)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.256,   0.264,  -0.043)  (  0.256,   0.264,  -0.043)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.959,   4.372,   4.225)  ( -2.958,   4.372,   4.225)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 66       ( -1.078,   0.552,  -0.760)  ( -1.078,   0.556,  -0.759)  ( 0.06,  0.19,  0.05)
168:     bond    (  0.016,   0.113,   0.003)  (  0.016,   0.116,   0.003)  ( 0.00,  0.04,  0.00)
168:     angle   (  2.563,  -0.264,  -3.412)  (  2.563,  -0.264,  -3.411)  ( 0.02,  0.00,  0.02)
168:     strbnd  (  0.510,   0.950,  -1.109)  (  0.510,   0.950,  -1.109)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.450,   0.067,  -0.151)  ( -0.450,   0.067,  -0.151)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.718,  -0.314,   3.909)  ( -3.717,  -0.314,   3.909)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 67       (  0.335,   0.250,   0.082)  (  0.336,   0.253,   0.082)  ( 0.02,  0.08,  0.00)
168:     bond    (  0.214,  -2.095,   0.090)  (  0.214,  -2.092,   0.090)  ( 0.00,  0.16,  0.00)
168:     angle   (  1.574,   0.246,   1.978)  (  1.575,   0.246,   1.979)  ( 0.04,  0.00,  0.03)
168:     strbnd  ( -0.777,   1.004,   0.844)  ( -0.777,   1.004,   0.844)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.181,  -0.026,  -1.050)  (  0.181,  -0.026,  -1.050)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.857,   1.121,  -1.781)  ( -0.857,   1.121,  -1.781)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 68       (  0.121,   0.190,   0.044)  (  0.122,   0.191,   0.047)  ( 0.01,  0.02,  0.01)
168:     bond    ( -0.946,   0.945,   2.916)  ( -0.946,   0.945,   2.919)  ( 0.03,  0.03,  0.09)
168:     angle   (  2.086,  -0.263,   0.761)  (  2.086,  -0.263,   0.761)  ( 0.03,  0.01,  0.01)
168:     strbnd  (  0.013,  -1.433,  -0.930)  (  0.013,  -1.433,  -0.930)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.192,  -1.114,   0.423)  (  0.192,  -1.114,   0.423)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.224,   2.055,  -3.126)  ( -1.224,   2.055,  -3.126)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 69       (  0.670,   0.306,   0.584)  (  0.671,   0.308,   0.587)  ( 0.08,  0.04,  0.14)
168:     bond    ( -0.089,   0.102,   0.156)  ( -0.088,   0.103,   0.158)  ( 0.01,  0.01,  0.03)
168:     angle   (  0.439,  -2.980,   2.180)  (  0.440,  -2.979,   2.180)  ( 0.02,  0.02,  0.01)
168:     strbnd  (  0.329,   0.312,   1.723)  (  0.329,   0.312,   1.723)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.972,  -0.601,   0.932)  (  0.972,  -0.601,   0.933)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.982,   3.473,  -4.407)  ( -0.982,   3.473,  -4.407)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 70       (  0.106,   0.582,   0.566)  (  0.107,   0.583,   0.568)  ( 0.02,  0.04,  0.13)
168:     bond    (  1.818,  -0.560,   2.482)  (  1.819,  -0.560,   2.484)  ( 0.06,  0.01,  0.08)
168:     angle   ( -0.401,  -1.568,  -0.060)  ( -0.400,  -1.567,  -0.060)  ( 0.01,  0.04,  0.00)
168:     strbnd  ( -0.251,  -0.339,  -2.165)  ( -0.251,  -0.339,  -2.165)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.175,   0.745,   1.028)  ( -1.175,   0.745,   1.028)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.115,   2.304,  -0.719)  (  0.115,   2.304,  -0.719)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 71       (  0.738,   0.197,   0.250)  (  0.741,   0.198,   0.251)  ( 0.20,  0.02,  0.02)
168:     bond    (  1.848,   0.749,  -0.682)  (  1.850,   0.749,  -0.682)  ( 0.14,  0.03,  0.02)
168:     angle   ( -0.676,  -2.968,  -5.094)  ( -0.676,  -2.967,  -5.094)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( -1.187,  -1.166,  -0.503)  ( -1.187,  -1.166,  -0.503)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.213,  -0.324,   0.223)  (  0.213,  -0.324,   0.223)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.541,   3.906,   6.307)  (  0.541,   3.906,   6.307)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 72       (  0.699,   1.329,  -0.078)  (  0.701,   1.330,  -0.076)  ( 0.13,  0.05,  0.02)
168:     bond    ( -0.821,   0.235,  -0.916)  ( -0.820,   0.235,  -0.914)  ( 0.12,  0.00,  0.17)
168:     angle   (  3.757,  -0.301,  -3.447)  (  3.757,  -0.301,  -3.447)  ( 0.01,  0.01,  0.01)
168:     strbnd  (  1.187,  -0.802,  -0.115)  (  1.187,  -0.802,  -0.115)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.090,  -0.149,   0.042)  ( -0.090,  -0.149,   0.042)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.334,   2.346,   4.357)  ( -3.333,   2.346,   4.357)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 73       ( -0.259,   0.501,  -0.385)  ( -0.258,   0.505,  -0.385)  ( 0.01,  0.17,  0.02)
168:     bond    ( -0.024,   0.218,  -0.017)  ( -0.024,   0.221,  -0.017)  ( 0.00,  0.07,  0.00)
168:     angle   (  2.747,   0.023,  -3.607)  (  2.748,   0.023,  -3.606)  ( 0.02,  0.00,  0.02)
168:     strbnd  (  0.214,   0.580,  -1.173)  (  0.214,   0.580,  -1.173)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.122,  -0.015,  -0.032)  ( -0.122,  -0.015,  -0.032)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.075,  -0.304,   4.442)  ( -3.075,  -0.304,   4.443)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 74       (  0.137,   2.170,  -1.424)  (  0.139,   2.171,  -1.421)  ( 0.03,  0.04,  0.25)
168:     bond    ( -0.028,  -0.019,  -0.043)  ( -0.027,  -0.018,  -0.040)  ( 0.00,  0.00,  0.01)
168:     angle   (  2.217,   0.907,  -1.911)  (  2.217,   0.907,  -1.911)  ( 0.01,  0.00,  0.01)
168:     strbnd  (  0.644,   0.343,   0.113)  (  0.644,   0.343,   0.113)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.820,   1.602,  -0.191)  ( -0.820,   1.602,  -0.191)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.896,  -0.668,   0.650)  ( -1.896,  -0.668,   0.650)  ( 0.00,  0.00,  0.00)
168:     electro (  0.020,   0.005,  -0.042)  (  0.020,   0.005,  -0.042)  ( 0.00,  0.00,  0.00)
168: ok 22 # gradients 
168: ok 23 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       ( -0.390,  -0.080,  -0.086)  ( -0.400,  -0.036,  -0.040)  ( 0.41,  0.35,  0.40)
168:     bond    (  6.718,   6.276,  -0.511)  (  6.723,   6.283,  -0.510)  ( 0.07,  0.11,  0.05)
168:     angle   (  7.350,   2.161,   1.524)  (  7.352,   2.163,   1.524)  ( 0.02,  0.08,  0.00)
168:     strbnd  ( -5.562,  -3.003,  -0.620)  ( -5.562,  -3.004,  -0.620)  ( 0.00,  0.02,  0.00)
168:     torsion (  0.209,  -0.213,  -0.135)  (  0.209,  -0.213,  -0.134)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.102,  -0.210,  -0.295)  (  0.085,  -0.175,  -0.250)  ( 0.17,  0.74,  1.31)
168:     vdw     ( -9.274,  -5.085,  -0.061)  ( -9.274,  -5.085,  -0.061)  ( 0.00,  0.00,  0.00)
168:     electro (  0.067,  -0.005,   0.012)  (  0.067,  -0.005,   0.012)  ( 0.00,  0.00,  0.00)
168:  2       ( -0.546,  -0.957,   0.155)  ( -0.544,  -0.941,   0.181)  ( 0.08,  1.49,  0.40)
168:     bond    (  5.859,  -4.939,   3.180)  (  5.864,  -4.931,   3.182)  ( 0.09,  0.16,  0.04)
168:     angle   ( -5.582,   0.865,  -2.937)  ( -5.580,   0.867,  -2.937)  ( 0.03,  0.13,  0.01)
168:     strbnd  (  3.439,  -2.665,   1.582)  (  3.438,  -2.666,   1.582)  ( 0.02,  0.03,  0.00)
168:     torsion ( -0.645,   0.747,   3.059)  ( -0.645,   0.747,   3.060)  ( 0.01,  0.01,  0.04)
168:     oop     (  0.034,  -0.042,  -0.149)  (  0.029,  -0.036,  -0.126)  ( 0.02,  0.03,  0.35)
168:     vdw     ( -3.802,   4.778,  -4.508)  ( -3.801,   4.778,  -4.508)  ( 0.01,  0.00,  0.00)
168:     electro (  0.151,   0.299,  -0.070)  (  0.151,   0.299,  -0.070)  ( 0.00,  0.00,  0.00)
168:  3       ( -6.918,   4.406,  -3.910)  ( -6.927,   4.418,  -3.755)  ( 0.12,  0.27,  3.97)
168:     bond    (  8.537,   8.504,   0.695)  (  8.543,   8.515,   0.695)  ( 0.06,  0.14,  0.00)
168:     angle   (-28.587,  -3.313,  -5.216)  (-28.584,  -3.311,  -5.216)  ( 0.01,  0.05,  0.00)
168:     strbnd  ( 13.895,   1.569,   1.674)  ( 13.894,   1.567,   1.674)  ( 0.01,  0.12,  0.00)
168:     torsion ( -0.070,   0.291,  -0.883)  ( -0.070,   0.291,  -0.883)  ( 0.00,  0.00,  0.04)
168:     oop     (  0.085,  -0.003,  -0.855)  (  0.070,  -0.003,  -0.700)  ( 0.13,  0.00, 13.23)
168:     vdw     ( -3.152,  -1.167,  -0.567)  ( -3.152,  -1.167,  -0.567)  ( 0.00,  0.00,  0.00)
168:     electro (  2.373,  -1.475,   1.243)  (  2.373,  -1.475,   1.243)  ( 0.00,  0.00,  0.00)
168:  4       (  6.252,  -1.262,   2.485)  (  6.292,  -1.324,   2.319)  ( 0.63,  4.92,  6.70)
168:     bond    (  5.784,   6.960,  -1.839)  (  5.788,   6.969,  -1.837)  ( 0.07,  0.13,  0.11)
168:     angle   (  0.982, -10.064,   4.762)  (  0.983, -10.062,   4.762)  ( 0.17,  0.02,  0.00)
168:     strbnd  (  2.113,   6.313,  -2.390)  (  2.113,   6.312,  -2.391)  ( 0.01,  0.02,  0.01)
168:     torsion (  0.211,  -0.053,  -0.431)  (  0.211,  -0.052,  -0.430)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.201,   0.426,   1.012)  ( -0.167,   0.355,   0.843)  ( 0.68,  3.05, 16.69)
168:     vdw     ( -0.575,  -5.329,   2.147)  ( -0.575,  -5.329,   2.147)  ( 0.00,  0.00,  0.00)
168:     electro ( -2.061,   0.485,  -0.775)  ( -2.061,   0.485,  -0.775)  ( 0.00,  0.00,  0.00)
168:  5       ( -4.110,  -0.366,  -1.743)  ( -4.120,  -0.332,  -1.682)  ( 0.25,  1.24,  3.49)
168:     bond    (  0.169,   6.053,  -2.652)  (  0.169,   6.060,  -2.651)  ( 0.00,  0.13,  0.06)
168:     angle   ( -0.570,  -0.029,  -0.102)  ( -0.569,  -0.029,  -0.102)  ( 0.04,  0.00,  0.00)
168:     strbnd  ( -0.449,  -0.737,   0.244)  ( -0.449,  -0.737,   0.244)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.351,  -0.798,  -1.802)  (  0.351,  -0.798,  -1.802)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.063,  -0.144,  -0.325)  (  0.052,  -0.118,  -0.265)  ( 0.07,  0.38,  1.92)
168:     vdw     ( -5.042,  -4.784,   2.331)  ( -5.041,  -4.784,   2.331)  ( 0.00,  0.00,  0.00)
168:     electro (  1.366,   0.073,   0.563)  (  1.366,   0.073,   0.563)  ( 0.00,  0.00,  0.00)
168:  6       ( -0.304,   0.282,  -0.195)  ( -0.308,   0.313,  -0.130)  ( 0.12,  0.89,  1.29)
168:     bond    ( -0.057,   4.697,  -1.723)  ( -0.052,   4.701,  -1.723)  ( 0.03,  0.10,  0.04)
168:     angle   (  6.722,   9.815,  -3.104)  (  6.724,   9.816,  -3.104)  ( 0.03,  0.02,  0.00)
168:     strbnd  ( -8.096,  -2.087,  -0.459)  ( -8.096,  -2.087,  -0.459)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.110,   0.259,   0.519)  ( -0.110,   0.259,   0.520)  ( 0.00,  0.00,  0.06)
168:     oop     (  0.071,  -0.161,  -0.404)  (  0.060,  -0.136,  -0.340)  ( 0.08,  0.40,  2.58)
168:     vdw     (  1.049, -12.118,   4.931)  (  1.049, -12.118,   4.931)  ( 0.03,  0.00,  0.00)
168:     electro (  0.117,  -0.122,   0.045)  (  0.117,  -0.122,   0.045)  ( 0.00,  0.00,  0.00)
168:  7       ( -0.202,   0.557,  -0.182)  ( -0.197,   0.570,  -0.158)  ( 0.09,  0.68,  0.44)
168:     bond    (  3.349,  -0.633,   0.565)  (  3.354,  -0.629,   0.566)  ( 0.16,  0.29,  0.05)
168:     angle   ( -2.010,  -5.848,   0.374)  ( -2.008,  -5.846,   0.374)  ( 0.11,  0.04,  0.01)
168:     strbnd  ( -0.379,  -1.736,   0.181)  ( -0.380,  -1.737,   0.181)  ( 0.03,  0.03,  0.00)
168:     torsion ( -0.325,   0.273,   1.507)  ( -0.325,   0.273,   1.508)  ( 0.00,  0.00,  0.09)
168:     oop     (  0.017,  -0.034,  -0.134)  (  0.015,  -0.028,  -0.112)  ( 0.00,  0.02,  0.29)
168:     vdw     ( -0.926,   8.721,  -2.733)  ( -0.925,   8.721,  -2.733)  ( 0.03,  0.00,  0.00)
168:     electro (  0.071,  -0.184,   0.059)  (  0.071,  -0.184,   0.059)  ( 0.00,  0.00,  0.00)
168:  8       ( -1.891,  -0.177,  -0.173)  ( -1.886,  -0.165,  -0.154)  ( 0.25,  0.22,  0.33)
168:     bond    ( -2.335,  12.424,  -4.470)  ( -2.330,  12.429,  -4.470)  ( 0.23,  0.04,  0.02)
168:     angle   ( -1.627,  -0.904,   0.021)  ( -1.626,  -0.902,   0.021)  ( 0.10,  0.16,  0.00)
168:     strbnd  ( -5.052,  -1.205,  -0.263)  ( -5.052,  -1.206,  -0.263)  ( 0.00,  0.01,  0.00)
168:     torsion ( -0.060,   0.134,   0.425)  ( -0.060,   0.134,   0.426)  ( 0.00,  0.00,  0.05)
168:     oop     (  0.013,  -0.035,  -0.105)  (  0.011,  -0.030,  -0.088)  ( 0.00,  0.02,  0.18)
168:     vdw     (  6.553, -10.647,   4.170)  (  6.553, -10.647,   4.170)  ( 0.00,  0.00,  0.00)
168:     electro (  0.618,   0.057,   0.050)  (  0.618,   0.057,   0.050)  ( 0.00,  0.00,  0.00)
168:  9       ( -0.774,  -1.950,  -0.631)  ( -0.746,  -1.983,  -0.746)  ( 2.17,  1.69,  7.26)
168:     bond    (  7.584,  -6.522,   1.280)  (  7.590,  -6.517,   1.281)  ( 0.08,  0.07,  0.06)
168:     angle   ( -6.868,  -3.074,   6.963)  ( -6.866,  -3.072,   6.964)  ( 0.03,  0.07,  0.01)
168:     strbnd  ( -1.384,   3.697,  -1.135)  ( -1.385,   3.696,  -1.136)  ( 0.05,  0.02,  0.01)
168:     torsion (  0.914,  -1.383,  -5.636)  (  0.914,  -1.383,  -5.635)  ( 0.00,  0.01,  0.01)
168:     oop     ( -0.133,   0.235,   0.708)  ( -0.112,   0.195,   0.591)  ( 0.28,  0.92,  8.29)
168:     vdw     ( -1.168,   4.392,  -3.048)  ( -1.168,   4.393,  -3.048)  ( 0.00,  0.00,  0.00)
168:     electro (  0.281,   0.705,   0.237)  (  0.281,   0.705,   0.237)  ( 0.00,  0.00,  0.00)
168: 10       ( -0.880,  -1.134,   0.021)  ( -0.875,  -1.120,   0.038)  ( 0.42,  1.22,  0.04)
168:     bond    (  2.250, -21.552,   7.812)  (  2.255, -21.547,   7.813)  ( 0.22,  0.02,  0.01)
168:     angle   (  0.157,  10.838,  -3.791)  (  0.158,  10.840,  -3.791)  ( 0.02,  0.02,  0.01)
168:     strbnd  ( -4.774,   3.240,  -1.394)  ( -4.774,   3.239,  -1.394)  ( 0.00,  0.01,  0.00)
168:     torsion ( -0.412,   1.059,   3.327)  ( -0.412,   1.059,   3.328)  ( 0.00,  0.02,  0.04)
168:     oop     (  0.001,  -0.020,  -0.019)  ( -0.000,  -0.013,  -0.004)  ( 0.00,  0.01,  0.03)
168:     vdw     (  1.632,   4.936,  -5.898)  (  1.632,   4.937,  -5.898)  ( 0.01,  0.01,  0.00)
168:     electro (  0.267,   0.365,  -0.016)  (  0.267,   0.365,  -0.016)  ( 0.00,  0.00,  0.00)
168: 11       ( -0.274,  -0.454,  -0.157)  ( -0.317,  -0.358,  -0.074)  ( 1.19,  4.38,  1.30)
168:     bond    (-16.382,  -5.258,  -0.908)  (-16.377,  -5.253,  -0.907)  ( 0.03,  0.09,  0.07)
168:     angle   (-11.115,   1.090,   2.569)  (-11.112,   1.092,   2.569)  ( 0.02,  0.19,  0.01)
168:     strbnd  ( 22.133,   1.950,   2.757)  ( 22.132,   1.949,   2.757)  ( 0.00,  0.03,  0.00)
168:     torsion ( -0.093,   0.026,  -1.627)  ( -0.093,   0.026,  -1.626)  ( 0.00,  0.00,  0.06)
168:     oop     (  0.396,  -0.643,  -0.208)  (  0.346,  -0.553,  -0.127)  ( 2.00,  5.78,  1.67)
168:     vdw     (  4.671,   2.284,  -2.768)  (  4.672,   2.284,  -2.768)  ( 0.00,  0.00,  0.00)
168:     electro (  0.115,   0.097,   0.028)  (  0.115,   0.097,   0.028)  ( 0.00,  0.00,  0.00)
168: 12       ( -0.438,   1.369,  -0.101)  ( -0.434,   1.364,  -0.123)  ( 0.17,  0.40,  0.22)
168:     bond    ( -0.083,  -1.551,   0.585)  ( -0.083,  -1.548,   0.586)  ( 0.00,  0.21,  0.03)
168:     angle   ( -2.409,   0.039,  -0.237)  ( -2.408,   0.039,  -0.237)  ( 0.03,  0.00,  0.00)
168:     strbnd  (  0.317,   2.635,  -1.018)  (  0.317,   2.635,  -1.018)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.335,   0.971,   2.518)  ( -0.335,   0.971,   2.518)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.020,   0.060,   0.155)  ( -0.017,   0.051,   0.132)  ( 0.01,  0.05,  0.36)
168:     vdw     (  1.947,  -0.339,  -2.146)  (  1.947,  -0.339,  -2.146)  ( 0.01,  0.00,  0.00)
168:     electro (  0.146,  -0.445,   0.041)  (  0.146,  -0.445,   0.041)  ( 0.00,  0.00,  0.00)
168: 13       (  1.701,   2.579,  -0.525)  (  1.727,   2.539,  -0.665)  ( 1.54,  1.55,  7.37)
168:     bond    (-10.578,  16.134,  -6.570)  (-10.572,  16.139,  -6.569)  ( 0.06,  0.03,  0.01)
168:     angle   (  3.774,  -9.877,   3.575)  (  3.776,  -9.875,   3.575)  ( 0.06,  0.02,  0.00)
168:     strbnd  (  6.607,   8.014,  -1.786)  (  6.607,   8.014,  -1.786)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.139,  -0.606,  -1.888)  (  0.139,  -0.606,  -1.887)  ( 0.00,  0.01,  0.06)
168:     oop     ( -0.104,   0.267,   0.810)  ( -0.086,   0.220,   0.668)  ( 0.18,  1.25, 11.54)
168:     vdw     (  2.473, -10.532,   5.124)  (  2.473, -10.532,   5.124)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.611,  -0.821,   0.209)  ( -0.611,  -0.821,   0.209)  ( 0.00,  0.00,  0.00)
168: 14       (  0.986,   0.151,  -0.043)  (  0.987,   0.154,  -0.045)  ( 0.11,  0.04,  0.01)
168:     bond    (  0.027,   1.931,  -0.640)  (  0.027,   1.934,  -0.640)  ( 0.00,  0.18,  0.02)
168:     angle   ( -2.454,  -0.061,  -0.290)  ( -2.454,  -0.061,  -0.290)  ( 0.03,  0.00,  0.00)
168:     strbnd  ( -0.157,  -0.599,   0.177)  ( -0.157,  -0.599,   0.177)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.008,  -0.021,  -0.062)  (  0.008,  -0.021,  -0.062)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.002,   0.005,   0.014)  ( -0.001,   0.004,   0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.894,  -1.054,   0.744)  (  3.894,  -1.054,   0.744)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.330,  -0.049,   0.015)  ( -0.330,  -0.049,   0.015)  ( 0.00,  0.00,  0.00)
168: 15       ( -0.314,   0.296,   0.066)  ( -0.314,   0.306,   0.088)  ( 0.02,  0.27,  0.15)
168:     bond    (  0.221,  -0.141,   0.077)  (  0.224,  -0.139,   0.077)  ( 0.07,  0.02,  0.00)
168:     angle   (  4.781,   6.809,  -1.605)  (  4.781,   6.810,  -1.605)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -0.896,   1.110,  -0.480)  ( -0.896,   1.110,  -0.480)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.065,  -0.159,  -0.479)  (  0.065,  -0.159,  -0.479)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.019,  -0.046,  -0.139)  (  0.016,  -0.039,  -0.117)  ( 0.01,  0.03,  0.30)
168:     vdw     ( -4.637,  -7.161,   2.713)  ( -4.637,  -7.161,   2.713)  ( 0.00,  0.00,  0.00)
168:     electro (  0.133,  -0.115,  -0.022)  (  0.133,  -0.115,  -0.022)  ( 0.00,  0.00,  0.00)
168: 16       ( 12.569,   0.466,   4.456)  ( 12.606,   0.357,   4.669)  ( 0.29,  5.06,  4.80)
168:     bond    ( 11.932,   3.001,  15.852)  ( 11.937,   3.005,  15.854)  ( 0.04,  0.13,  0.01)
168:     angle   ( 23.478,  14.321,  -5.626)  ( 23.480,  14.322,  -5.625)  ( 0.01,  0.01,  0.02)
168:     strbnd  (-17.338, -10.628,  -0.306)  (-17.339, -10.629,  -0.306)  ( 0.01,  0.01,  0.01)
168:     torsion (  2.457,  -3.717,  -2.036)  (  2.457,  -3.717,  -2.036)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.175,   1.180,  -2.156)  ( -0.144,   1.066,  -1.945)  ( 0.54,  9.63,  9.80)
168:     vdw     ( -3.584,  -3.576,   0.274)  ( -3.584,  -3.576,   0.274)  ( 0.00,  0.00,  0.00)
168:     electro ( -4.202,  -0.115,  -1.547)  ( -4.202,  -0.115,  -1.547)  ( 0.00,  0.00,  0.00)
168: 17       ( -0.127,  -0.381,   0.161)  ( -0.130,  -0.361,   0.202)  ( 0.04,  0.77,  0.67)
168:     bond    ( -1.611,  -0.017,   3.957)  ( -1.609,  -0.012,   3.962)  ( 0.12,  0.01,  0.12)
168:     angle   (  6.180,   1.067,  -5.100)  (  6.182,   1.069,  -5.098)  ( 0.03,  0.17,  0.04)
168:     strbnd  (  0.100,  -7.392,   3.328)  (  0.099,  -7.392,   3.327)  ( 0.00,  0.01,  0.03)
168:     torsion (  0.098,  -0.377,   0.788)  (  0.098,  -0.377,   0.788)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.041,  -0.083,  -0.211)  (  0.034,  -0.069,  -0.175)  ( 0.03,  0.12,  0.75)
168:     vdw     ( -4.964,   6.311,  -2.568)  ( -4.963,   6.311,  -2.568)  ( 0.00,  0.00,  0.00)
168:     electro (  0.029,   0.109,  -0.034)  (  0.029,   0.109,  -0.034)  ( 0.00,  0.00,  0.00)
168: 18       (  2.026,   0.720,  -0.162)  (  2.029,   0.721,  -0.163)  ( 0.15,  0.06,  0.02)
168:     bond    (  2.427,  -1.578,   1.180)  (  2.429,  -1.577,   1.181)  ( 0.09,  0.06,  0.04)
168:     angle   (  0.938,   1.300,  -0.193)  (  0.938,   1.300,  -0.193)  ( 0.02,  0.03,  0.00)
168:     strbnd  (  0.253,   0.443,  -0.086)  (  0.253,   0.443,  -0.086)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.194,   0.249,   0.730)  ( -0.194,   0.249,   0.731)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.004,   0.005,   0.016)  ( -0.004,   0.005,   0.014)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.726,   0.545,  -1.869)  ( -0.726,   0.545,  -1.869)  ( 0.01,  0.01,  0.00)
168:     electro ( -0.668,  -0.244,   0.060)  ( -0.668,  -0.244,   0.060)  ( 0.00,  0.00,  0.00)
168: 19       (  2.870,   0.328,  -1.984)  (  2.869,   0.381,  -2.042)  ( 0.04,  1.74,  2.90)
168:     bond    ( 14.557,  -7.075, -16.796)  ( 14.561,  -7.071, -16.792)  ( 0.03,  0.06,  0.03)
168:     angle   ( -6.287,   1.336,   9.984)  ( -6.284,   1.338,   9.986)  ( 0.04,  0.15,  0.02)
168:     strbnd  ( -1.105,  -2.672,   1.853)  ( -1.106,  -2.672,   1.852)  ( 0.07,  0.04,  0.04)
168:     torsion ( -2.492,   2.882,  -3.676)  ( -2.492,   2.882,  -3.676)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.033,  -0.539,   0.714)  (  0.027,  -0.492,   0.651)  ( 0.02,  2.58,  4.51)
168:     vdw     ( -0.883,   6.505,   5.249)  ( -0.883,   6.505,   5.250)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.953,  -0.110,   0.686)  ( -0.953,  -0.110,   0.686)  ( 0.00,  0.00,  0.00)
168: 20       (  1.141,   5.323,  -0.149)  (  1.157,   5.345,  -0.248)  ( 1.36,  0.42,  1.47)
168:     bond    ( -3.175,  21.247,  -4.289)  ( -3.171,  21.251,  -4.285)  ( 0.12,  0.02,  0.11)
168:     angle   ( -1.211, -12.477,   2.194)  ( -1.209, -12.475,   2.196)  ( 0.17,  0.02,  0.08)
168:     strbnd  ( -3.415,  -1.229,   2.715)  ( -3.416,  -1.230,   2.715)  ( 0.04,  0.07,  0.01)
168:     torsion ( -0.125,   0.194,   3.424)  ( -0.125,   0.195,   3.424)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.155,  -0.246,   0.892)  ( -0.144,  -0.229,   0.787)  ( 0.17,  0.40,  9.32)
168:     vdw     (  9.608,  -0.387,  -5.167)  (  9.608,  -0.387,  -5.167)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.385,  -1.779,   0.082)  ( -0.385,  -1.779,   0.082)  ( 0.00,  0.00,  0.00)
168: 21       ( -0.002,  -0.008,  -0.022)  (  0.000,  -0.007,  -0.021)  ( 0.00,  0.00,  0.00)
168:     bond    (  1.613,  -1.085,   0.142)  (  1.615,  -1.084,   0.142)  ( 0.14,  0.10,  0.00)
168:     angle   ( -3.259,  -5.157,  -2.297)  ( -3.259,  -5.157,  -2.296)  ( 0.01,  0.01,  0.02)
168:     strbnd  ( -0.614,   0.250,  -1.435)  ( -0.614,   0.250,  -1.435)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.085,   0.141,   0.107)  (  0.085,   0.141,   0.107)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.173,   5.843,   3.461)  (  2.173,   5.843,   3.461)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 22       (  0.001,   0.003,  -0.029)  (  0.002,   0.004,  -0.025)  ( 0.00,  0.00,  0.01)
168:     bond    ( -0.285,   1.036,  -3.315)  ( -0.285,   1.036,  -3.312)  ( 0.00,  0.03,  0.09)
168:     angle   (  0.181,  -1.068,  -0.350)  (  0.182,  -1.067,  -0.350)  ( 0.01,  0.05,  0.00)
168:     strbnd  (  0.973,  -1.118,   0.103)  (  0.973,  -1.118,   0.103)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.351,  -0.744,  -0.263)  (  0.351,  -0.744,  -0.263)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.220,   1.896,   3.796)  ( -1.220,   1.896,   3.796)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 23       ( -0.564,  -2.361,  -0.607)  ( -0.559,  -2.355,  -0.601)  ( 0.27,  0.24,  0.37)
168:     bond    ( -3.127, -17.812,   3.460)  ( -3.123, -17.808,   3.465)  ( 0.13,  0.02,  0.13)
168:     angle   (  0.202,   7.188,  -7.171)  (  0.204,   7.190,  -7.169)  ( 0.04,  0.03,  0.02)
168:     strbnd  (  3.369,  -1.380,  -2.585)  (  3.367,  -1.380,  -2.585)  ( 0.04,  0.05,  0.01)
168:     torsion ( -0.244,   1.380,   2.916)  ( -0.244,   1.381,   2.917)  ( 0.00,  0.01,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.952,   7.510,   2.573)  ( -0.952,   7.510,   2.573)  ( 0.00,  0.00,  0.00)
168:     electro (  0.189,   0.752,   0.199)  (  0.189,   0.752,   0.199)  ( 0.00,  0.00,  0.00)
168: 24       (  0.007,  -0.018,  -0.003)  (  0.008,  -0.016,  -0.001)  ( 0.00,  0.00,  0.00)
168:     bond    (  0.060,   1.792,   1.597)  (  0.060,   1.794,   1.599)  ( 0.00,  0.10,  0.09)
168:     angle   ( -3.575,  -1.364,   1.663)  ( -3.575,  -1.363,   1.664)  ( 0.02,  0.02,  0.02)
168:     strbnd  ( -0.521,   0.527,  -1.117)  ( -0.521,   0.527,  -1.117)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.187,  -0.049,   0.048)  (  0.187,  -0.049,   0.048)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.856,  -0.925,  -2.194)  (  3.857,  -0.925,  -2.194)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 25       ( -2.189,   0.946,   0.748)  ( -2.183,   0.951,   0.754)  ( 0.26,  0.50,  0.41)
168:     bond    (-13.633,   0.941,  12.416)  (-13.629,   0.945,  12.421)  ( 0.03,  0.39,  0.04)
168:     angle   (  2.350,   2.416,  -9.408)  (  2.353,   2.418,  -9.406)  ( 0.09,  0.08,  0.02)
168:     strbnd  (  0.055,   4.163,  -0.501)  (  0.054,   4.162,  -0.502)  ( 0.00,  0.03,  0.04)
168:     torsion (  2.065,  -2.248,   1.183)  (  2.065,  -2.248,   1.183)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  6.223,  -3.991,  -2.667)  (  6.223,  -3.991,  -2.667)  ( 0.00,  0.00,  0.00)
168:     electro (  0.752,  -0.335,  -0.274)  (  0.752,  -0.335,  -0.274)  ( 0.00,  0.00,  0.00)
168: 26       ( -0.004,  -0.009,   0.017)  ( -0.004,  -0.008,   0.020)  ( 0.00,  0.00,  0.01)
168:     bond    ( -0.508,   1.114,  -2.671)  ( -0.508,   1.115,  -2.668)  ( 0.01,  0.04,  0.10)
168:     angle   ( -3.386,  -1.138,   0.169)  ( -3.386,  -1.138,   0.170)  ( 0.02,  0.04,  0.00)
168:     strbnd  ( -0.285,   1.027,   0.757)  ( -0.285,   1.027,   0.757)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.469,   0.506,   0.301)  ( -0.469,   0.506,   0.301)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.645,  -1.519,   1.461)  (  4.645,  -1.518,   1.461)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 27       (-12.122,  -7.423,  -2.247)  (-12.117,  -7.418,  -2.244)  ( 0.05,  0.07,  0.13)
168:     bond    (-15.148,  -5.941, -10.039)  (-15.143,  -5.937, -10.037)  ( 0.03,  0.08,  0.02)
168:     angle   ( -5.200,  -8.059,   8.744)  ( -5.198,  -8.058,   8.745)  ( 0.03,  0.02,  0.02)
168:     strbnd  ( -1.543,  -1.202,   1.549)  ( -1.544,  -1.203,   1.548)  ( 0.04,  0.04,  0.03)
168:     torsion ( -0.831,   0.963,  -3.227)  ( -0.831,   0.963,  -3.226)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  6.577,   4.313,  -0.037)  (  6.577,   4.313,  -0.037)  ( 0.00,  0.00,  0.00)
168:     electro (  4.023,   2.503,   0.763)  (  4.023,   2.503,   0.763)  ( 0.00,  0.00,  0.00)
168: 28       (  0.001,   0.014,  -0.042)  (  0.002,   0.015,  -0.039)  ( 0.00,  0.00,  0.01)
168:     bond    (  0.463,  -1.202,   2.694)  (  0.464,  -1.202,   2.697)  ( 0.00,  0.05,  0.10)
168:     angle   (  0.035,  -0.321,  -0.149)  (  0.036,  -0.320,  -0.149)  ( 0.00,  0.01,  0.00)
168:     strbnd  ( -0.222,  -0.567,  -1.132)  ( -0.222,  -0.567,  -1.132)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.438,  -1.586,  -0.782)  (  0.438,  -1.586,  -0.782)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.714,   3.690,  -0.674)  ( -0.714,   3.690,  -0.674)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 29       (  0.008,   0.030,   0.008)  (  0.008,   0.032,   0.009)  ( 0.00,  0.01,  0.00)
168:     bond    ( -0.087,  -1.217,  -1.051)  ( -0.087,  -1.215,  -1.050)  ( 0.00,  0.16,  0.14)
168:     angle   ( -0.252,   0.112,  -0.110)  ( -0.251,   0.113,  -0.110)  ( 0.02,  0.00,  0.00)
168:     strbnd  (  0.115,   0.045,   1.331)  (  0.115,   0.045,   1.331)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.210,   0.236,  -0.255)  ( -0.210,   0.236,  -0.255)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.441,   0.855,   0.093)  (  0.441,   0.855,   0.093)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 30       ( -0.057,   0.017,   0.002)  ( -0.054,   0.018,   0.002)  ( 0.02,  0.00,  0.00)
168:     bond    ( -1.435,   0.851,  -0.093)  ( -1.433,   0.852,  -0.093)  ( 0.17,  0.08,  0.00)
168:     angle   ( -0.122,  -0.244,  -0.343)  ( -0.122,  -0.243,  -0.342)  ( 0.00,  0.01,  0.02)
168:     strbnd  (  0.598,  -0.582,   1.034)  (  0.598,  -0.582,   1.034)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.027,  -0.078,  -0.298)  ( -0.027,  -0.078,  -0.297)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.930,   0.070,  -0.299)  (  0.930,   0.070,  -0.299)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 31       (  0.005,  -0.020,   0.028)  (  0.006,  -0.019,   0.031)  ( 0.00,  0.00,  0.01)
168:     bond    (  0.312,  -0.902,   2.849)  (  0.312,  -0.902,   2.852)  ( 0.00,  0.03,  0.11)
168:     angle   ( -0.502,   0.107,   0.089)  ( -0.501,   0.107,   0.089)  ( 0.03,  0.01,  0.00)
168:     strbnd  ( -0.940,   0.677,  -0.469)  ( -0.940,   0.677,  -0.469)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.235,   1.160,   0.502)  ( -1.235,   1.160,   0.502)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.370,  -1.062,  -2.942)  (  2.370,  -1.062,  -2.942)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 32       (  0.594,   0.396,   0.458)  (  0.597,   0.399,   0.458)  ( 0.16,  0.09,  0.04)
168:     bond    ( -0.021,  -0.018,   0.009)  ( -0.019,  -0.016,   0.009)  ( 0.00,  0.00,  0.00)
168:     angle   ( -0.160,   0.222,   0.062)  ( -0.160,   0.222,   0.062)  ( 0.00,  0.01,  0.00)
168:     strbnd  ( -0.521,   0.030,  -0.937)  ( -0.521,   0.030,  -0.938)  ( 0.00,  0.00,  0.01)
168:     torsion (  0.592,  -0.069,   1.057)  (  0.592,  -0.069,   1.057)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.902,   0.369,   0.423)  (  0.902,   0.369,   0.423)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.197,  -0.138,  -0.156)  ( -0.197,  -0.138,  -0.156)  ( 0.00,  0.00,  0.00)
168: 33       ( 11.993,  -9.102,   3.831)  ( 12.004,  -9.096,   3.748)  ( 0.09,  0.07,  2.16)
168:     bond    ( -1.616,  -9.765,   0.189)  ( -1.616,  -9.756,   0.189)  ( 0.01,  0.10,  0.00)
168:     angle   ( 20.636,  -3.367,   2.623)  ( 20.637,  -3.367,   2.623)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  0.680,   2.049,   0.006)  (  0.680,   2.049,   0.006)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.339,   0.113,   2.931)  ( -0.339,   0.113,   2.931)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.045,   0.015,   0.377)  ( -0.035,   0.012,   0.294)  ( 0.04,  0.00,  3.13)
168:     vdw     ( -3.314,  -1.163,  -1.055)  ( -3.314,  -1.163,  -1.055)  ( 0.00,  0.00,  0.00)
168:     electro ( -4.008,   3.016,  -1.242)  ( -4.008,   3.016,  -1.242)  ( 0.00,  0.00,  0.00)
168: 34       ( -0.062,  -2.957,   1.492)  ( -0.051,  -2.954,   1.456)  ( 0.07,  0.11,  2.40)
168:     bond    ( -3.927,   2.786,  -0.594)  ( -3.921,   2.789,  -0.594)  ( 0.15,  0.13,  0.00)
168:     angle   ( 16.132,  -2.853,   2.371)  ( 16.132,  -2.852,   2.372)  ( 0.00,  0.05,  0.01)
168:     strbnd  ( -0.845,   3.072,  -0.258)  ( -0.845,   3.072,  -0.258)  ( 0.00,  0.01,  0.00)
168:     torsion (  0.144,  -0.049,  -1.174)  (  0.144,  -0.049,  -1.173)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.036,   0.013,   0.294)  ( -0.031,   0.011,   0.258)  ( 0.02,  0.00,  1.06)
168:     vdw     (-11.558,  -6.965,   1.339)  (-11.558,  -6.965,   1.339)  ( 0.00,  0.00,  0.00)
168:     electro (  0.027,   1.039,  -0.487)  (  0.027,   1.039,  -0.487)  ( 0.00,  0.00,  0.00)
168: 35       ( -7.756,   8.365,  -1.689)  ( -7.753,   8.368,  -1.689)  ( 0.05,  0.03,  0.01)
168:     bond    (  0.234,   0.187,   0.015)  (  0.238,   0.189,   0.015)  ( 0.08,  0.04,  0.00)
168:     angle   ( -9.135,  11.640,  -1.684)  ( -9.135,  11.640,  -1.684)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( -1.252,  -0.773,  -0.092)  ( -1.252,  -0.773,  -0.092)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.050,  -0.027,  -0.452)  (  0.050,  -0.027,  -0.452)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.204,   0.155,  -0.034)  ( -0.204,   0.155,  -0.034)  ( 0.00,  0.00,  0.00)
168:     electro (  2.552,  -2.816,   0.559)  (  2.552,  -2.816,   0.559)  ( 0.00,  0.00,  0.00)
168: 36       ( -0.111,   1.138,   0.003)  ( -0.104,   1.142,   0.008)  ( 0.07,  0.35,  0.00)
168:     bond    (  1.340,  -4.011,  -2.272)  (  1.346,  -4.008,  -2.268)  ( 0.45,  0.07,  0.18)
168:     angle   ( -1.289,   0.664,   1.982)  ( -1.288,   0.666,   1.984)  ( 0.08,  0.10,  0.10)
168:     strbnd  (  0.232,  -0.792,   0.487)  (  0.231,  -0.793,   0.486)  ( 0.02,  0.03,  0.03)
168:     torsion ( -1.155,   0.195,  -0.282)  ( -1.155,   0.195,  -0.282)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.717,   5.471,   0.093)  (  0.717,   5.471,   0.093)  ( 0.00,  0.00,  0.00)
168:     electro (  0.045,  -0.389,  -0.005)  (  0.045,  -0.389,  -0.005)  ( 0.00,  0.00,  0.00)
168: 37       ( -0.129,   0.971,   0.072)  ( -0.124,   0.976,   0.078)  ( 0.06,  0.47,  0.05)
168:     bond    (  1.435,  -3.700,  -1.718)  (  1.438,  -3.696,  -1.713)  ( 0.27,  0.10,  0.31)
168:     angle   (  0.328,   0.545,   0.556)  (  0.329,   0.546,   0.558)  ( 0.03,  0.08,  0.12)
168:     strbnd  ( -0.069,  -0.300,   0.440)  ( -0.069,  -0.301,   0.439)  ( 0.00,  0.01,  0.04)
168:     torsion (  0.956,   0.601,   0.479)  (  0.956,   0.601,   0.479)  ( 0.01,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.832,   4.136,   0.355)  ( -2.832,   4.136,   0.355)  ( 0.00,  0.00,  0.00)
168:     electro (  0.053,  -0.310,  -0.040)  (  0.053,  -0.310,  -0.040)  ( 0.00,  0.00,  0.00)
168: 38       (  0.456,  -0.099,   0.104)  (  0.457,  -0.097,   0.106)  ( 0.05,  0.01,  0.02)
168:     bond    (  0.435,  -0.767,   0.899)  (  0.435,  -0.766,   0.901)  ( 0.02,  0.11,  0.17)
168:     angle   (  0.496,   0.229,  -0.045)  (  0.496,   0.229,  -0.045)  ( 0.03,  0.00,  0.00)
168:     strbnd  ( -0.157,   0.213,  -0.446)  ( -0.157,   0.213,  -0.446)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.563,  -0.012,  -0.282)  (  0.563,  -0.012,  -0.283)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.724,   0.200,   0.015)  ( -0.724,   0.200,   0.015)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.156,   0.039,  -0.036)  ( -0.156,   0.039,  -0.036)  ( 0.00,  0.00,  0.00)
168: 39       (  0.251,   0.090,  -0.113)  (  0.254,   0.090,  -0.111)  ( 0.05,  0.01,  0.02)
168:     bond    (  0.863,   0.325,  -0.866)  (  0.864,   0.325,  -0.865)  ( 0.15,  0.01,  0.15)
168:     angle   (  0.432,  -1.789,  -0.241)  (  0.433,  -1.789,  -0.241)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( -0.148,  -0.179,   0.111)  ( -0.148,  -0.179,   0.111)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.500,  -0.248,   0.406)  (  0.500,  -0.248,   0.406)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.310,   2.013,   0.436)  ( -1.310,   2.013,   0.436)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.085,  -0.032,   0.042)  ( -0.085,  -0.032,   0.042)  ( 0.00,  0.00,  0.00)
168: 40       ( -0.318,  -0.258,  -0.145)  ( -0.317,  -0.256,  -0.144)  ( 0.04,  0.05,  0.02)
168:     bond    ( -0.592,  -0.813,   0.455)  ( -0.591,  -0.811,   0.456)  ( 0.06,  0.16,  0.03)
168:     angle   ( -0.349,   0.064,  -0.339)  ( -0.348,   0.064,  -0.339)  ( 0.01,  0.00,  0.02)
168:     strbnd  (  0.254,   0.177,  -0.194)  (  0.254,   0.177,  -0.194)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.231,  -0.135,  -0.540)  ( -0.231,  -0.135,  -0.540)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.504,   0.376,   0.413)  (  0.504,   0.376,   0.413)  ( 0.00,  0.00,  0.00)
168:     electro (  0.096,   0.073,   0.060)  (  0.096,   0.073,   0.060)  ( 0.00,  0.00,  0.00)
168: 41       ( -0.173,   0.248,  -0.228)  ( -0.172,   0.248,  -0.225)  ( 0.01,  0.01,  0.08)
168:     bond    ( -0.265,   0.213,  -1.387)  ( -0.265,   0.213,  -1.384)  ( 0.00,  0.00,  0.25)
168:     angle   ( -0.002,  -0.794,  -0.122)  ( -0.001,  -0.793,  -0.122)  ( 0.00,  0.04,  0.00)
168:     strbnd  (  0.104,  -0.149,   0.254)  (  0.104,  -0.149,   0.254)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.534,  -0.473,   0.029)  ( -0.534,  -0.473,   0.029)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.465,   1.537,   0.914)  (  0.465,   1.537,   0.914)  ( 0.00,  0.00,  0.00)
168:     electro (  0.059,  -0.086,   0.083)  (  0.059,  -0.086,   0.083)  ( 0.00,  0.00,  0.00)
168: 42       ( -0.367,   0.133,   0.950)  ( -0.366,   0.134,   0.953)  ( 0.02,  0.01,  0.31)
168:     bond    ( -1.424,  -0.121,   4.422)  ( -1.424,  -0.120,   4.425)  ( 0.03,  0.00,  0.07)
168:     angle   (  0.750,  -1.072,   0.212)  (  0.750,  -1.071,   0.212)  ( 0.02,  0.08,  0.00)
168:     strbnd  (  0.500,  -0.190,  -1.471)  (  0.500,  -0.190,  -1.471)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.246,   0.662,  -0.061)  ( -0.246,   0.662,  -0.061)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.074,   0.895,  -1.822)  ( -0.074,   0.895,  -1.822)  ( 0.00,  0.00,  0.00)
168:     electro (  0.127,  -0.042,  -0.330)  (  0.127,  -0.042,  -0.330)  ( 0.00,  0.00,  0.00)
168: ok 24 # gradients 
168: ok 25 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       ( -0.279,  -0.003,   0.123)  ( -0.272,   0.001,   0.128)  ( 0.21,  0.00,  0.06)
168:     bond    (  0.405,   3.441,   0.242)  (  0.412,   3.445,   0.242)  ( 0.28,  0.13,  0.00)
168:     angle   ( -0.409,   0.650,  -0.195)  ( -0.408,   0.652,  -0.195)  ( 0.06,  0.11,  0.00)
168:     strbnd  ( -0.322,  -4.041,  -0.254)  ( -0.322,  -4.042,  -0.254)  ( 0.01,  0.03,  0.00)
168:     torsion ( -0.032,  -0.018,   0.320)  ( -0.032,  -0.018,   0.321)  ( 0.00,  0.00,  0.03)
168:     oop     (  0.002,   0.001,  -0.014)  (  0.001,   0.001,  -0.011)  ( 0.00,  0.00,  0.01)
168:     vdw     ( -0.047,  -0.020,  -0.019)  ( -0.047,  -0.020,  -0.019)  ( 0.00,  0.00,  0.00)
168:     electro (  0.124,  -0.017,   0.043)  (  0.124,  -0.017,   0.043)  ( 0.00,  0.00,  0.00)
168:  2       (  0.100,  -0.168,  -0.063)  (  0.104,  -0.161,  -0.045)  ( 0.04,  0.12,  0.11)
168:     bond    (  3.541,  -2.137,   0.264)  (  3.546,  -2.131,   0.265)  ( 0.15,  0.30,  0.00)
168:     angle   (  1.746,   1.275,   0.298)  (  1.748,   1.277,   0.298)  ( 0.10,  0.14,  0.00)
168:     strbnd  ( -2.090,   1.285,  -0.146)  ( -2.091,   1.285,  -0.146)  ( 0.05,  0.01,  0.00)
168:     torsion (  0.033,   0.016,  -0.297)  (  0.034,   0.016,  -0.296)  ( 0.00,  0.00,  0.04)
168:     oop     (  0.010,   0.005,  -0.088)  (  0.009,   0.004,  -0.072)  ( 0.00,  0.00,  0.14)
168:     vdw     ( -3.041,  -0.539,  -0.132)  ( -3.041,  -0.539,  -0.132)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.101,  -0.072,   0.038)  ( -0.101,  -0.072,   0.038)  ( 0.00,  0.00,  0.00)
168:  3       ( -1.433,   0.619,   0.080)  ( -1.416,   0.635,  -0.042)  ( 1.17,  0.98,  0.97)
168:     bond    ( 10.808,   8.532,   1.851)  ( 10.812,   8.538,   1.851)  ( 0.04,  0.07,  0.01)
168:     angle   ( -1.280, -12.576,  -1.628)  ( -1.278, -12.574,  -1.628)  ( 0.16,  0.02,  0.03)
168:     strbnd  ( -2.662,  -2.231,  -0.989)  ( -2.662,  -2.232,  -0.989)  ( 0.02,  0.03,  0.01)
168:     torsion ( -0.153,   0.061,   1.120)  ( -0.153,   0.061,   1.121)  ( 0.00,  0.00,  0.09)
168:     oop     ( -0.073,  -0.051,   0.782)  ( -0.062,  -0.043,   0.659)  ( 0.08,  0.04,  9.60)
168:     vdw     ( -8.513,   7.070,  -1.049)  ( -8.513,   7.070,  -1.049)  ( 0.00,  0.00,  0.00)
168:     electro (  0.441,  -0.186,  -0.007)  (  0.441,  -0.186,  -0.007)  ( 0.00,  0.00,  0.00)
168:  4       (  2.087,   0.080,  -0.569)  (  2.064,   0.060,  -0.243)  ( 1.08,  0.16, 18.58)
168:     bond    ( 20.270,  -4.350,   1.475)  ( 20.275,  -4.343,   1.476)  ( 0.02,  0.15,  0.01)
168:     angle   ( 12.458,  12.739,   3.115)  ( 12.460,  12.741,   3.115)  ( 0.02,  0.01,  0.01)
168:     strbnd  (-17.883,  -3.513,  -1.809)  (-17.884,  -3.514,  -1.809)  ( 0.01,  0.03,  0.00)
168:     torsion (  0.036,   0.065,  -1.684)  (  0.036,   0.065,  -1.683)  ( 0.00,  0.00,  0.04)
168:     oop     (  0.171,   0.149,  -1.871)  (  0.143,   0.122,  -1.545)  ( 0.48,  0.40, 17.39)
168:     vdw     (-12.241,  -4.949,   0.142)  (-12.241,  -4.949,   0.142)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.725,  -0.061,   0.062)  ( -0.725,  -0.061,   0.062)  ( 0.00,  0.00,  0.00)
168:  5       ( -2.687,  -1.178,   0.039)  ( -2.683,  -1.173,   0.054)  ( 0.13,  0.48,  0.06)
168:     bond    (  1.518, -21.327,  -9.249)  (  1.522, -21.323,  -9.244)  ( 0.25,  0.02,  0.05)
168:     angle   ( -8.489,  14.472,   7.087)  ( -8.487,  14.475,   7.088)  ( 0.02,  0.02,  0.02)
168:     strbnd  ( 11.557,   1.653,   2.302)  ( 11.556,   1.652,   2.302)  ( 0.01,  0.05,  0.02)
168:     torsion ( -0.182,   0.061,  -1.411)  ( -0.182,   0.061,  -1.410)  ( 0.00,  0.00,  0.02)
168:     oop     (  0.005,   0.003,  -0.040)  (  0.004,   0.002,  -0.031)  ( 0.00,  0.00,  0.04)
168:     vdw     ( -7.969,   3.574,   1.404)  ( -7.968,   3.574,   1.404)  ( 0.00,  0.00,  0.00)
168:     electro (  0.873,   0.387,  -0.055)  (  0.873,   0.387,  -0.055)  ( 0.00,  0.00,  0.00)
168:  6       (  0.018,  -0.397,   0.001)  (  0.029,  -0.386,  -0.079)  ( 0.02,  0.42,  0.01)
168:     bond    ( -9.999,  -4.566,  -1.383)  ( -9.996,  -4.563,  -1.383)  ( 0.03,  0.06,  0.00)
168:     angle   (  0.723,  -4.226,  -0.076)  (  0.723,  -4.225,  -0.077)  ( 0.04,  0.03,  0.00)
168:     strbnd  ( 12.551,   6.889,   1.807)  ( 12.551,   6.889,   1.807)  ( 0.00,  0.01,  0.00)
168:     torsion (  0.080,   0.020,  -0.668)  (  0.080,   0.020,  -0.667)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.057,  -0.045,   0.532)  ( -0.048,  -0.038,   0.452)  ( 0.05,  0.03,  4.28)
168:     vdw     ( -3.283,   1.455,  -0.244)  ( -3.283,   1.455,  -0.244)  ( 0.00,  0.00,  0.00)
168:     electro (  0.002,   0.077,   0.032)  (  0.002,   0.077,   0.032)  ( 0.00,  0.00,  0.00)
168:  7       (  3.021,   6.551,  -0.598)  (  3.026,   6.556,  -0.596)  ( 0.16,  0.08,  0.15)
168:     bond    ( 10.203,   5.616,  25.277)  ( 10.207,   5.620,  25.278)  ( 0.04,  0.07,  0.00)
168:     angle   (-14.427,   4.571, -29.699)  (-14.425,   4.572, -29.697)  ( 0.01,  0.03,  0.01)
168:     strbnd  (  1.147,  -1.228,  -0.703)  (  1.146,  -1.229,  -0.703)  ( 0.05,  0.04,  0.03)
168:     torsion (  1.193,  -0.605,  -0.282)  (  1.193,  -0.605,  -0.282)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.912,   0.367,   4.636)  (  5.912,   0.367,   4.636)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.008,  -2.170,   0.172)  ( -1.008,  -2.170,   0.172)  ( 0.00,  0.00,  0.00)
168:  8       ( -0.124,  -0.019,  -0.296)  ( -0.123,  -0.017,  -0.295)  ( 0.01,  0.01,  0.03)
168:     bond    ( -0.019,  -0.836,   0.410)  ( -0.019,  -0.833,   0.411)  ( 0.00,  0.23,  0.03)
168:     angle   (  4.770,  -0.609,  -1.012)  (  4.771,  -0.609,  -1.012)  ( 0.01,  0.01,  0.04)
168:     strbnd  (  0.249,   0.128,  -1.740)  (  0.249,   0.128,  -1.740)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.173,  -0.083,  -0.176)  ( -0.173,  -0.083,  -0.176)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -4.951,   1.380,   2.222)  ( -4.951,   1.380,   2.222)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  9       ( -0.069,   0.131,  -0.224)  ( -0.068,   0.132,  -0.221)  ( 0.01,  0.01,  0.07)
168:     bond    ( -0.548,  -0.489,  -3.470)  ( -0.548,  -0.489,  -3.467)  ( 0.01,  0.00,  0.09)
168:     angle   (  2.634,  -1.083,  -0.264)  (  2.635,  -1.082,  -0.264)  ( 0.02,  0.05,  0.00)
168:     strbnd  (  0.419,  -1.396,   0.765)  (  0.419,  -1.396,   0.765)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.167,  -0.223,   0.058)  ( -0.167,  -0.223,   0.058)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.406,   3.323,   2.687)  ( -2.406,   3.323,   2.687)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 10       (  0.125,  -1.325,   0.049)  (  0.131,  -1.320,   0.054)  ( 0.07,  0.40,  0.03)
168:     bond    (-15.381,  12.089, -12.058)  (-15.377,  12.093, -12.053)  ( 0.02,  0.04,  0.04)
168:     angle   (  8.484, -11.406,  11.903)  (  8.487, -11.404,  11.904)  ( 0.03,  0.02,  0.01)
168:     strbnd  (  4.060,   9.673,   0.443)  (  4.059,   9.672,   0.443)  ( 0.02,  0.01,  0.02)
168:     torsion (  1.330,  -0.770,  -1.490)  (  1.330,  -0.769,  -1.490)  ( 0.01,  0.00,  0.01)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.699, -11.336,   1.328)  (  1.699, -11.336,   1.328)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.066,   0.423,  -0.077)  ( -0.066,   0.423,  -0.077)  ( 0.00,  0.00,  0.00)
168: 11       (  0.736,   2.170,  -0.004)  (  0.752,   2.188,  -0.139)  ( 1.17,  0.84,  0.05)
168:     bond    (  9.639,  15.878,   4.037)  (  9.642,  15.883,   4.041)  ( 0.04,  0.03,  0.11)
168:     angle   ( -9.172,  -2.161,  -6.458)  ( -9.170,  -2.158,  -6.456)  ( 0.02,  0.11,  0.02)
168:     strbnd  (  1.149,  -6.264,  -0.982)  (  1.147,  -6.265,  -0.982)  ( 0.10,  0.02,  0.04)
168:     torsion ( -0.350,  -0.442,   3.225)  ( -0.350,  -0.442,   3.225)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.054,  -0.059,   0.659)  ( -0.042,  -0.046,   0.518)  ( 0.06,  0.07,  9.28)
168:     vdw     ( -0.242,  -4.058,  -0.450)  ( -0.242,  -4.058,  -0.450)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.233,  -0.725,  -0.034)  ( -0.233,  -0.725,  -0.034)  ( 0.00,  0.00,  0.00)
168: 12       (  0.007,   0.058,  -0.013)  (  0.009,   0.059,  -0.013)  ( 0.00,  0.01,  0.00)
168:     bond    ( -1.070,   0.929,   0.454)  ( -1.069,   0.931,   0.454)  ( 0.16,  0.12,  0.01)
168:     angle   (  4.468,   5.608,  -0.977)  (  4.468,   5.608,  -0.977)  ( 0.01,  0.01,  0.05)
168:     strbnd  (  0.788,  -0.295,  -1.704)  (  0.788,  -0.295,  -1.704)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.551,  -1.028,   0.811)  ( -0.551,  -1.028,   0.811)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.628,  -5.157,   1.404)  ( -3.628,  -5.157,   1.404)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 13       ( -0.120,   0.039,  -0.037)  ( -0.119,   0.040,  -0.033)  ( 0.01,  0.00,  0.01)
168:     bond    ( -0.328,  -0.292,  -3.901)  ( -0.328,  -0.292,  -3.897)  ( 0.00,  0.00,  0.08)
168:     angle   ( -0.446,   1.585,  -0.081)  ( -0.446,   1.585,  -0.081)  ( 0.02,  0.04,  0.00)
168:     strbnd  ( -0.722,   1.212,   0.784)  ( -0.722,   1.212,   0.784)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.435,   1.492,  -0.075)  ( -0.435,   1.492,  -0.075)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.812,  -3.957,   3.236)  (  1.812,  -3.957,   3.236)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 14       (  0.067,   0.147,  -0.288)  (  0.068,   0.148,  -0.285)  ( 0.00,  0.01,  0.08)
168:     bond    ( -0.175,   1.062,   2.357)  ( -0.175,   1.063,   2.360)  ( 0.00,  0.05,  0.12)
168:     angle   ( -0.080,  -0.961,   0.427)  ( -0.080,  -0.961,   0.427)  ( 0.00,  0.04,  0.00)
168:     strbnd  (  0.554,   0.475,  -1.094)  (  0.554,   0.475,  -1.094)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.550,   1.444,  -0.691)  ( -0.550,   1.444,  -0.691)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.318,  -1.873,  -1.287)  (  0.318,  -1.873,  -1.287)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 15       (  0.046,  -0.135,  -0.333)  (  0.047,  -0.133,  -0.331)  ( 0.00,  0.03,  0.06)
168:     bond    (  0.373,   1.480,  -1.330)  (  0.373,   1.482,  -1.328)  ( 0.00,  0.12,  0.11)
168:     angle   ( -2.004,   0.579,   0.084)  ( -2.004,   0.580,   0.085)  ( 0.03,  0.01,  0.00)
168:     strbnd  (  0.258,   0.339,   0.948)  (  0.258,   0.339,   0.948)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.462,  -0.620,  -0.562)  (  0.462,  -0.620,  -0.562)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.958,  -1.914,   0.528)  (  0.958,  -1.914,   0.528)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 16       (  0.085,   0.267,   0.463)  (  0.090,   0.268,   0.460)  ( 0.04,  0.03,  0.13)
168:     bond    (  0.758,  -0.200,   0.086)  (  0.762,  -0.200,   0.086)  ( 0.28,  0.01,  0.00)
168:     angle   (  0.078,   0.315,   0.044)  (  0.078,   0.315,   0.044)  ( 0.00,  0.02,  0.00)
168:     strbnd  ( -0.224,   0.410,  -0.006)  ( -0.224,   0.410,  -0.006)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.053,  -0.023,   0.416)  ( -0.053,  -0.023,   0.416)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.002,  -0.001,   0.014)  ( -0.001,  -0.001,   0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.370,  -0.087,  -0.051)  ( -0.370,  -0.087,  -0.051)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.102,  -0.148,  -0.039)  ( -0.102,  -0.148,  -0.039)  ( 0.00,  0.00,  0.00)
168: 17       (  0.030,  -0.337,   0.354)  (  0.031,  -0.333,   0.349)  ( 0.00,  0.14,  0.18)
168:     bond    (  0.202,  -2.402,  -0.106)  (  0.202,  -2.398,  -0.106)  ( 0.00,  0.16,  0.00)
168:     angle   (  0.155,   0.010,   0.062)  (  0.156,   0.010,   0.062)  ( 0.01,  0.00,  0.00)
168:     strbnd  (  0.312,   1.242,   0.101)  (  0.312,   1.242,   0.101)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.037,  -0.018,   0.329)  ( -0.037,  -0.018,   0.329)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.003,  -0.001,   0.025)  ( -0.002,  -0.001,   0.019)  ( 0.00,  0.00,  0.01)
168:     vdw     ( -0.532,   0.720,  -0.009)  ( -0.532,   0.720,  -0.009)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.067,   0.112,  -0.048)  ( -0.067,   0.112,  -0.048)  ( 0.00,  0.00,  0.00)
168: 18       (  0.234,   1.955,  -3.552)  (  0.255,   1.935,  -3.562)  ( 0.49,  1.01,  0.28)
168:     bond    ( -6.379,   0.928, -24.889)  ( -6.375,   0.931, -24.885)  ( 0.06,  0.30,  0.02)
168:     angle   (  9.056,   0.616,  23.534)  (  9.058,   0.619,  23.536)  ( 0.02,  0.14,  0.01)
168:     strbnd  ( -5.196,  -2.586,  -0.461)  ( -5.197,  -2.587,  -0.462)  ( 0.03,  0.04,  0.02)
168:     torsion (  1.569,  -1.208,   0.648)  (  1.569,  -1.208,   0.648)  ( 0.00,  0.01,  0.00)
168:     oop     ( -0.120,   0.144,   0.106)  ( -0.104,   0.120,   0.090)  ( 0.19,  0.35,  0.17)
168:     vdw     (  1.409,   4.724,  -3.655)  (  1.409,   4.724,  -3.655)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.105,  -0.663,   1.165)  ( -0.105,  -0.663,   1.165)  ( 0.00,  0.00,  0.00)
168: 19       (  0.354,   2.120,   0.056)  (  0.365,   2.131,   0.061)  ( 0.39,  0.51,  0.03)
168:     bond    ( -2.284,   1.490,  -1.564)  ( -2.281,   1.492,  -1.560)  ( 0.13,  0.13,  0.31)
168:     angle   ( -1.097,  -5.742,  -2.880)  ( -1.096,  -5.741,  -2.878)  ( 0.12,  0.02,  0.06)
168:     strbnd  (  3.814,  -3.033,   2.137)  (  3.814,  -3.033,   2.137)  ( 0.01,  0.00,  0.01)
168:     torsion (  0.420,   0.671,  -0.162)  (  0.420,   0.672,  -0.162)  ( 0.02,  0.04,  0.00)
168:     oop     ( -0.056,  -0.065,   0.006)  ( -0.050,  -0.058,   0.005)  ( 0.04,  0.05,  0.00)
168:     vdw     ( -0.306,   9.504,   2.421)  ( -0.306,   9.504,   2.421)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.137,  -0.705,   0.098)  ( -0.137,  -0.705,   0.098)  ( 0.00,  0.00,  0.00)
168: 20       ( -4.758,  -2.921,   1.091)  ( -4.871,  -2.872,   1.165)  ( 2.36,  1.67,  6.80)
168:     bond    ( -2.231, -20.883,   8.347)  ( -2.227, -20.877,   8.352)  ( 0.15,  0.03,  0.06)
168:     angle   ( -4.426,  15.205,  -3.475)  ( -4.426,  15.207,  -3.473)  ( 0.02,  0.01,  0.05)
168:     strbnd  ( -4.771,  -2.312,  -7.995)  ( -4.772,  -2.313,  -7.996)  ( 0.01,  0.04,  0.02)
168:     torsion ( -2.925,   0.824,   1.217)  ( -2.924,   0.824,   1.217)  ( 0.01,  0.00,  0.00)
168:     oop     (  0.652,  -0.226,  -0.380)  (  0.536,  -0.185,  -0.311)  ( 7.57,  0.92,  2.60)
168:     vdw     (  7.151,   3.310,   3.612)  (  7.151,   3.310,   3.612)  ( 0.00,  0.00,  0.00)
168:     electro (  1.791,   1.160,  -0.235)  (  1.791,   1.160,  -0.235)  ( 0.00,  0.00,  0.00)
168: 21       ( -0.124,  -0.034,   0.051)  ( -0.123,  -0.033,   0.055)  ( 0.01,  0.00,  0.02)
168:     bond    ( -0.235,  -0.308,  -2.219)  ( -0.235,  -0.308,  -2.216)  ( 0.00,  0.00,  0.15)
168:     angle   (  4.698,  -5.851,   0.315)  (  4.699,  -5.850,   0.315)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -0.581,  -0.336,   1.443)  ( -0.581,  -0.336,   1.443)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.301,   0.144,   0.118)  ( -1.301,   0.144,   0.118)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.704,   6.318,   0.395)  ( -2.704,   6.318,   0.395)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 22       ( -1.234,   0.590,   0.291)  ( -1.240,   0.580,   0.298)  ( 0.44,  0.58,  0.20)
168:     bond    (  7.110,  -5.000,  16.974)  (  7.113,  -4.998,  16.979)  ( 0.05,  0.04,  0.03)
168:     angle   ( -2.542,   1.862,  -6.168)  ( -2.541,   1.862,  -6.166)  ( 0.04,  0.04,  0.03)
168:     strbnd  ( -2.998,   2.586,   2.923)  ( -2.998,   2.586,   2.923)  ( 0.00,  0.00,  0.01)
168:     torsion (  0.187,   0.206,   0.004)  (  0.187,   0.207,   0.004)  ( 0.01,  0.02,  0.00)
168:     oop     (  0.071,   0.090,  -0.001)  (  0.060,   0.076,  -0.000)  ( 0.07,  0.12,  0.00)
168:     vdw     ( -3.409,   1.113, -13.213)  ( -3.409,   1.113, -13.213)  ( 0.00,  0.01,  0.00)
168:     electro (  0.348,  -0.267,  -0.229)  (  0.348,  -0.267,  -0.229)  ( 0.00,  0.00,  0.00)
168: 23       ( -0.424,  -0.244,  -0.447)  ( -0.417,  -0.238,  -0.440)  ( 0.27,  0.14,  0.33)
168:     bond    ( -4.764,   3.427,  11.494)  ( -4.760,   3.429,  11.499)  ( 0.07,  0.06,  0.05)
170:     angle   (281.089, 416.870, -172.124)  (281.096, 416.881, -172.117)  ( 0.00,  0.00,  0.00)
170:     torsion (240.406, 261.628, 254.450)  (240.408, 261.630, 254.450)  ( 0.00,  0.00,  0.00)
170:     oop     ( 14.615,  15.383,  18.011)  (  9.750,   9.378,  12.564)  (33.29, 39.04, 30.25)
170:     vdw     ( 53.537,  61.395, -53.026)  ( 53.537,  61.396, -53.025)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (-662.354, -111.205, 141.994)  (-657.360, -112.857, 138.909)  ( 0.75,  1.49,  2.17)
170:     bond    (-168.069, -26.034,   8.805)  (-168.042, -26.012,   8.811)  ( 0.02,  0.09,  0.07)
170:     angle   (-336.147, -93.011,   9.328)  (-336.136, -93.002,   9.334)  ( 0.00,  0.01,  0.07)
170:     torsion (-252.846, -13.122, 139.543)  (-252.846, -13.121, 139.537)  ( 0.00,  0.01,  0.00)
170:     oop     (-15.508,   5.435,  12.366)  (-10.554,   3.749,   9.275)  (31.95, 31.02, 25.00)
170:     vdw     (110.216,  15.528, -28.048)  (110.219,  15.529, -28.048)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (250.136, -518.519, 549.490)  (247.415, -515.289, 546.478)  ( 1.09,  0.62,  0.55)
170:     bond    (  1.458,  71.116,  68.487)  (  1.475,  71.143,  68.499)  ( 1.21,  0.04,  0.02)
170:     angle   (154.409, -485.366, 569.972)  (154.424, -485.348, 569.983)  ( 0.01,  0.00,  0.00)
170:     torsion ( 34.783,  -7.281, -106.662)  ( 34.783,  -7.282, -106.665)  ( 0.00,  0.01,  0.00)
170:     oop     ( 10.990, -10.864,   8.861)  (  8.236,  -7.681,   5.829)  (25.06, 29.30, 34.22)
170:     vdw     ( 48.496, -86.123,   8.832)  ( 48.497, -86.121,   8.832)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (439.497, 441.908, -1179.811)  (434.517, 434.975, -1176.814)  ( 1.13,  1.57,  0.25)
170:     bond    ( 61.002,  37.800, -126.985)  ( 61.019,  37.811, -126.957)  ( 0.03,  0.03,  0.02)
170:     angle   (488.272, 508.141, -851.857)  (488.299, 508.158, -851.826)  ( 0.01,  0.00,  0.00)
170:     torsion (-69.212, -104.841, -271.849)  (-69.215, -104.847, -271.852)  ( 0.00,  0.01,  0.00)
170:     oop     ( 11.805,  20.515,  -8.930)  (  6.784,  13.558,  -5.990)  (42.54, 33.91, 32.92)
170:     vdw     (-52.371, -19.707,  79.811)  (-52.370, -19.705,  79.812)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (-310.545, -438.789, 1524.655)  (-310.723, -442.223, 1511.710)  ( 0.06,  0.78,  0.85)
170:     bond    ( 70.628,  28.998,   6.944)  ( 70.646,  29.024,   6.955)  ( 0.03,  0.09,  0.16)
170:     angle   (-393.833, -564.110, 1041.613)  (-393.811, -564.068, 1041.665)  ( 0.01,  0.01,  0.01)
170:     torsion (107.997,  97.872, 391.223)  (107.999,  97.871, 391.223)  ( 0.00,  0.00,  0.00)
170:     oop     (  1.581,  10.950,  33.987)  (  1.357,   7.451,  20.979)  (14.16, 31.96, 38.27)
170:     vdw     (-96.918, -12.500,  50.888)  (-96.915, -12.500,  50.888)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (425.491, 106.564, -171.779)  (386.458, 106.281, -139.633)  ( 9.17,  0.27, 18.71)
170:     bond    ( -9.197,  36.479,   4.844)  ( -9.178,  36.501,   4.864)  ( 0.21,  0.06,  0.39)
170:     angle   (256.003,  82.383, -340.147)  (256.014,  82.397, -340.136)  ( 0.00,  0.02,  0.00)
170:     torsion (109.631,  15.471, 237.942)  (109.634,  15.472, 237.944)  ( 0.00,  0.01,  0.00)
170:     oop     ( 63.741, -19.452, -68.052)  ( 24.674, -19.772, -35.939)  (61.29,  1.65, 47.19)
170:     vdw     (  5.314,  -8.316,  -6.366)  (  5.314,  -8.316,  -6.366)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (149.932, -39.572, -344.415)  (149.960, -39.544, -344.384)  ( 0.02,  0.07,  0.01)
170:     bond    ( -4.442,   1.405,   6.036)  ( -4.425,   1.422,   6.058)  ( 0.40,  1.19,  0.36)
170:     angle   (150.728, -38.064, -341.656)  (150.736, -38.055, -341.647)  ( 0.01,  0.02,  0.00)
170:     torsion (  2.661,  10.075,  -1.921)  (  2.662,  10.077,  -1.921)  ( 0.05,  0.02,  0.03)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.986, -12.988,  -6.874)  (  0.986, -12.988,  -6.874)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (-71.366, -3248.159, 6275.535)  ( 18.746, -3255.267, 6213.962)  (126.27,  0.22,  0.98)
170:     bond    (-24.751,  -1.393, -11.881)  (-24.732,  -1.375, -11.844)  ( 0.08,  1.31,  0.31)
170:     angle   ( 96.308, -3293.527, 6182.157)  ( 96.347, -3293.377, 6182.697)  ( 0.04,  0.00,  0.01)
170:     torsion ( 35.429, -20.000, -40.923)  ( 35.428, -19.999, -40.925)  ( 0.00,  0.00,  0.01)
170:     oop     (-188.460,  78.650, 129.944)  (-98.405,  71.374,  67.796)  (47.78,  9.25, 47.83)
170:     vdw     ( 10.107, -11.890,  16.238)  ( 10.108, -11.890,  16.238)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       (-2429.877, -941.912, -3598.395)  (-2440.493, -931.780, -3592.480)  ( 0.44,  1.08,  0.16)
170:     bond    (  5.843,   7.534,  -6.324)  (  5.851,   7.567,  -6.314)  ( 0.13,  0.44,  0.16)
170:     angle   (-2494.865, -915.953, -3613.099)  (-2494.774, -915.935, -3612.911)  ( 0.00,  0.00,  0.01)
170:     torsion ( 12.549,  10.708,  27.711)  ( 12.517,  10.708,  27.682)  ( 0.25,  0.00,  0.10)
170:     oop     ( 38.865, -36.829, -21.148)  ( 28.182, -26.749, -15.402)  (27.49, 27.37, 27.17)
170:     vdw     (  7.730,  -7.371,  14.464)  (  7.730,  -7.371,  14.465)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       (2275.150, 4110.172, -2528.710)  (2235.661, 4108.150, -2502.586)  ( 1.74,  0.05,  1.03)
170:     bond    ( -0.918,  -0.369,  -1.437)  ( -0.909,  -0.368,  -1.414)  ( 0.86,  0.06,  1.58)
170:     angle   (2212.532, 4119.830, -2494.022)  (2212.617, 4120.053, -2493.951)  ( 0.00,  0.01,  0.00)
170:     torsion (-23.370,   9.163,  12.638)  (-23.369,   9.163,  12.639)  ( 0.00,  0.00,  0.00)
170:     oop     ( 82.164, -23.441, -46.720)  ( 42.580, -25.687, -20.690)  (48.18,  9.58, 55.71)
170:     vdw     (  4.741,   4.990,   0.830)  (  4.742,   4.990,   0.830)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       ( 29.563, 159.802, -18.007)  ( 29.576, 159.805, -18.005)  ( 0.05,  0.00,  0.01)
170:     bond    (  9.037,  -1.524,  -0.203)  (  9.050,  -1.524,  -0.203)  ( 0.15,  0.03,  0.00)
170:     angle   ( 28.049, 169.417, -21.211)  ( 28.049, 169.420, -21.210)  ( 0.00,  0.00,  0.01)
170:     torsion (  0.210,   0.398,   6.373)  (  0.210,   0.398,   6.374)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -7.733,  -8.489,  -2.966)  ( -7.733,  -8.489,  -2.966)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       (110.511,  89.033, -82.861)  (110.514,  89.041, -82.852)  ( 0.00,  0.01,  0.01)
170:     bond    (  0.003,   1.672,   1.773)  (  0.003,   1.679,   1.780)  ( 0.00,  0.39,  0.41)
170:     angle   (113.837,  88.441, -83.579)  (113.839,  88.441, -83.577)  ( 0.00,  0.00,  0.00)
170:     torsion ( -2.557,   1.919,  -1.806)  ( -2.557,   1.919,  -1.805)  ( 0.01,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.771,  -2.999,   0.751)  ( -0.771,  -2.998,   0.751)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       (164.360,  93.375,  89.660)  (164.363,  93.382,  89.669)  ( 0.00,  0.01,  0.01)
170:     bond    (  0.190,   3.711,  -4.053)  (  0.190,   3.718,  -4.045)  ( 0.00,  0.17,  0.19)
170:     angle   (165.611,  99.178,  98.925)  (165.613,  99.178,  98.927)  ( 0.00,  0.00,  0.00)
170:     torsion (  3.499,  -3.086,  -2.672)  (  3.499,  -3.086,  -2.672)  ( 0.01,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -4.940,  -6.429,  -2.540)  ( -4.939,  -6.429,  -2.540)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       ( 23.106,  96.329,  38.306)  ( 23.112,  96.336,  38.316)  ( 0.02,  0.01,  0.03)
170:     bond    (  3.354,  -4.340,   8.483)  (  3.355,  -4.337,   8.493)  ( 0.05,  0.06,  0.12)
170:     angle   ( 24.599,  88.887,  35.672)  ( 24.602,  88.890,  35.672)  ( 0.01,  0.00,  0.00)
170:     torsion (  9.356,  -0.208,  -3.802)  (  9.357,  -0.207,  -3.802)  ( 0.01,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-14.202,  11.990,  -2.047)  (-14.202,  11.990,  -2.047)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       (106.847,   7.352,  -6.537)  (106.852,   7.358,  -6.526)  ( 0.00,  0.08,  0.17)
170:     bond    (  0.265,  10.534,  16.212)  (  0.265,  10.538,  16.222)  ( 0.00,  0.04,  0.06)
170:     angle   (116.143,   9.693,  -8.196)  (116.147,   9.694,  -8.196)  ( 0.00,  0.01,  0.01)
170:     torsion (-14.500, -13.124,   8.762)  (-14.500, -13.123,   8.762)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  4.940,   0.249, -23.314)  (  4.940,   0.249, -23.314)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       (-53.936,   9.882, -76.119)  (-53.930,   9.894, -76.116)  ( 0.01,  0.13,  0.00)
170:     bond    ( -3.527,  -8.677,   1.493)  ( -3.525,  -8.666,   1.493)  ( 0.06,  0.13,  0.03)
170:     angle   (-62.327,  13.662, -67.852)  (-62.324,  13.663, -67.850)  ( 0.00,  0.00,  0.00)
170:     torsion (  9.678,  -4.462,  -3.046)  (  9.678,  -4.462,  -3.046)  ( 0.00,  0.00,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.240,   9.359,  -6.714)  (  2.241,   9.359,  -6.713)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       (-78.890, -72.710, -158.807)  (-78.878, -72.707, -158.804)  ( 0.02,  0.00,  0.00)
170:     bond    (  3.533,  -1.023,  -1.278)  (  3.545,  -1.022,  -1.276)  ( 0.32,  0.09,  0.12)
170:     angle   (-82.209, -82.772, -162.066)  (-82.208, -82.771, -162.064)  ( 0.00,  0.00,  0.00)
170:     torsion (  0.249,   2.761,  -1.520)  (  0.249,   2.761,  -1.519)  ( 0.00,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.463,   8.324,   6.056)  ( -0.463,   8.325,   6.056)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       ( 54.476, -88.167, -69.420)  ( 54.480, -88.162, -69.409)  ( 0.01,  0.01,  0.02)
170:     bond    ( -3.009,   4.808,  -9.022)  ( -3.008,   4.811,  -9.012)  ( 0.04,  0.06,  0.11)
170:     angle   ( 60.074, -98.874, -72.827)  ( 60.076, -98.872, -72.827)  ( 0.00,  0.00,  0.00)
170:     torsion ( -1.594,  -0.810,   0.099)  ( -1.594,  -0.810,   0.099)  ( 0.03,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.995,   6.710,  12.331)  ( -0.995,   6.710,  12.331)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       ( 78.432,  -9.054, -127.914)  ( 78.437,  -9.043, -127.911)  ( 0.01,  0.13,  0.00)
170:     bond    (  0.761,   1.681,   0.278)  (  0.763,   1.693,   0.278)  ( 0.17,  0.67,  0.01)
170:     angle   ( 80.775, -14.566, -132.840)  ( 80.777, -14.566, -132.837)  ( 0.00,  0.00,  0.00)
170:     torsion (  0.481,  -0.260,   0.258)  (  0.482,  -0.259,   0.258)  ( 0.02,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.585,   4.090,   4.389)  ( -3.585,   4.090,   4.389)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       (-51.535,  44.398,  45.791)  (-51.131,  44.805,  46.918)  ( 0.78,  0.92,  2.46)
170:     bond    ( -5.493,  -9.604,   5.333)  ( -5.490,  -9.595,   5.336)  ( 0.06,  0.10,  0.05)
170:     angle   (-27.870,   8.136, -14.040)  (-27.867,   8.137, -14.040)  ( 0.01,  0.01,  0.00)
170:     torsion (-20.060,  46.688,  63.308)  (-20.060,  46.688,  63.309)  ( 0.00,  0.00,  0.00)
170:     oop     ( -2.278,  -2.485,  -6.811)  ( -1.880,  -2.088,  -5.689)  (17.47, 15.96, 16.48)
170:     vdw     (  4.166,   1.663,  -1.999)  (  4.167,   1.663,  -1.999)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 26       (139.004, -88.908, -249.742)  (137.065, -87.642, -246.362)  ( 1.39,  1.42,  1.35)
170:     bond    ( -4.791,  -1.212,  -2.309)  ( -4.779,  -1.211,  -2.306)  ( 0.24,  0.06,  0.12)
170:     angle   ( -5.602, -26.885,  25.728)  ( -5.602, -26.882,  25.729)  ( 0.00,  0.01,  0.00)
170:     torsion (141.462, -55.192, -264.132)  (141.462, -55.192, -264.135)  ( 0.00,  0.00,  0.00)
170:     oop     (  5.926,  -3.391, -10.499)  (  3.975,  -2.129,  -7.119)  (32.92, 37.22, 32.19)
170:     vdw     (  2.008,  -2.228,   1.470)  (  2.008,  -2.228,   1.470)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       (-100.572, -46.189,  20.393)  (-97.540, -41.908,  19.841)  ( 3.01,  9.27,  2.70)
170:     bond    ( -2.799,   0.425, -11.770)  ( -2.798,   0.426, -11.755)  ( 0.03,  0.00,  0.12)
170:     angle   (-15.348,  37.830,   5.022)  (-15.346,  37.831,   5.022)  ( 0.01,  0.00,  0.00)
170:     torsion (-75.920, -74.809,  15.364)  (-75.922, -74.812,  15.364)  ( 0.00,  0.00,  0.00)
170:     oop     ( -7.652, -11.933,   1.389)  ( -4.622,  -7.649,   0.823)  (39.60, 35.90, 40.75)
170:     vdw     (  1.147,   2.297,  10.387)  (  1.147,   2.297,  10.387)  ( 0.02,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 28       (-336.241, 574.483, -339.541)  (-334.757, 575.588, -337.085)  ( 0.44,  0.19,  0.72)
170:     bond    (  3.945,   0.719,  -2.690)  (  3.955,   0.720,  -2.685)  ( 0.25,  0.03,  0.17)
170:     angle   (-310.864, 492.121, -326.047)  (-310.851, 492.147, -326.037)  ( 0.00,  0.01,  0.00)
170:     torsion (-22.615,  92.362,  -8.563)  (-22.615,  92.362,  -8.562)  ( 0.00,  0.00,  0.01)
170:     oop     ( -4.712,  -5.306,  -8.363)  ( -3.252,  -4.227,  -5.923)  (30.98, 20.34, 29.17)
170:     vdw     ( -1.995,  -5.414,   6.122)  ( -1.995,  -5.413,   6.122)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 29       (-15.151,   2.263,  81.298)  (-15.139,   2.270,  81.302)  ( 0.08,  0.34,  0.00)
170:     bond    ( 19.096,  11.184,   2.759)  ( 19.107,  11.188,   2.759)  ( 0.05,  0.03,  0.01)
170:     angle   (-18.411,   8.591,  92.628)  (-18.410,   8.594,  92.630)  ( 0.01,  0.03,  0.00)
170:     torsion ( -8.884,  12.396,  11.251)  ( -8.884,  12.397,  11.251)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -6.952, -29.909, -25.340)  ( -6.952, -29.908, -25.339)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 30       (-41.569, -30.088, 123.256)  (-41.566, -30.074, 123.259)  ( 0.01,  0.05,  0.00)
170:     bond    ( -0.641,   4.990,   0.937)  ( -0.641,   5.004,   0.937)  ( 0.02,  0.26,  0.05)
170:     angle   (-51.949, -30.836, 129.092)  (-51.947, -30.835, 129.094)  ( 0.00,  0.00,  0.00)
170:     torsion (  7.939,   0.218,   4.263)  (  7.940,   0.218,   4.263)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  3.082,  -4.461, -11.036)  (  3.082,  -4.461, -11.036)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 31       (-92.387,  60.898,  62.401)  (-92.381,  60.901,  62.412)  ( 0.01,  0.01,  0.02)
170:     bond    (  2.122,  -1.132,   4.187)  (  2.125,  -1.131,   4.197)  ( 0.13,  0.07,  0.25)
170:     angle   (-96.594,  67.358,  67.047)  (-96.591,  67.360,  67.047)  ( 0.00,  0.00,  0.00)
170:     torsion ( -1.211,  -2.108,   0.045)  ( -1.211,  -2.108,   0.045)  ( 0.01,  0.02,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  3.296,  -3.220,  -8.878)  (  3.296,  -3.220,  -8.878)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 32       (  1.956,  69.960, 117.238)  (  1.968,  69.963, 117.241)  ( 0.62,  0.01,  0.00)
170:     bond    ( -3.614,  -1.283,   0.787)  ( -3.602,  -1.282,   0.788)  ( 0.33,  0.12,  0.05)
170:     angle   (  2.595,  69.724, 125.283)  (  2.595,  69.726, 125.285)  ( 0.01,  0.00,  0.00)
170:     torsion ( -1.096,   2.248,  -1.352)  ( -1.096,   2.249,  -1.352)  ( 0.01,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  4.071,  -0.730,  -7.481)  (  4.071,  -0.730,  -7.481)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 33       ( 55.911, -53.509, -77.574)  ( 55.901, -53.490, -77.584)  ( 0.02,  0.04,  0.01)
170:     bond    (  2.467,   6.482,  -2.894)  (  2.470,   6.500,  -2.890)  ( 0.11,  0.29,  0.13)
170:     angle   ( 68.061, -54.217, -63.765)  ( 68.059, -54.217, -63.767)  ( 0.00,  0.00,  0.00)
170:     torsion (-10.559,  -0.725, -10.654)  (-10.569,  -0.725, -10.664)  ( 0.10,  0.00,  0.10)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -4.059,  -5.049,  -0.262)  ( -4.059,  -5.049,  -0.262)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 30 # gradients 
170: ok 31 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       ( 76.598, -137.678, -29.141)  ( 76.810, -137.346, -29.823)  ( 0.28,  0.24,  2.34)
170:     bond    ( 90.698,   4.504,  26.887)  ( 90.717,   4.522,  26.905)  ( 0.02,  0.40,  0.07)
170:     angle   (  1.623, -114.544, -45.076)  (  1.632, -114.533, -45.068)  ( 0.56,  0.01,  0.02)
170:     torsion ( -0.161,   1.696,   0.297)  ( -0.162,   1.695,   0.296)  ( 0.00,  0.09,  0.02)
170:     oop     ( -1.255,  -2.021,   4.821)  ( -1.071,  -1.717,   4.113)  (14.66, 15.01, 14.68)
170:     vdw     (-14.307, -27.313, -16.070)  (-14.307, -27.312, -16.070)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (-152.928, 235.846,  12.867)  (-153.710, 234.463,  16.343)  ( 0.51,  0.59, 27.02)
170:     bond    ( 18.688, 120.062,  50.687)  ( 18.719, 120.102,  50.695)  ( 0.16,  0.03,  0.02)
170:     angle   (-160.218, 103.423,  16.382)  (-160.193, 103.435,  16.386)  ( 0.02,  0.01,  0.03)
170:     torsion (  5.513,  10.248, -27.387)  (  5.513,  10.248, -27.383)  ( 0.00,  0.00,  0.01)
170:     oop     (  4.728,   8.056, -19.476)  (  3.891,   6.620, -16.015)  (17.71, 17.82, 17.77)
170:     vdw     (-21.640,  -5.943,  -7.340)  (-21.639,  -5.943,  -7.340)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (-20.273, -42.385,   1.840)  (-20.269, -42.372,   1.841)  ( 0.02,  0.03,  0.07)
170:     bond    (-14.015, -41.334,   3.370)  (-14.014, -41.322,   3.369)  ( 0.01,  0.03,  0.00)
170:     angle   (  3.142,  -1.541,  -5.821)  (  3.144,  -1.541,  -5.819)  ( 0.08,  0.02,  0.04)
170:     torsion ( -1.299,   0.808,   4.512)  ( -1.299,   0.808,   4.511)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.100,  -0.318,  -0.220)  ( -8.100,  -0.318,  -0.220)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       (-39.832,  20.635,  23.062)  (-39.825,  20.640,  23.068)  ( 0.02,  0.03,  0.03)
170:     bond    (-24.926,  24.974,  25.987)  (-24.922,  24.978,  25.992)  ( 0.02,  0.02,  0.02)
170:     angle   ( 15.098,   9.421,   5.421)  ( 15.099,   9.423,   5.422)  ( 0.01,  0.02,  0.03)
170:     torsion (  0.391,   2.228,  -1.766)  (  0.391,   2.227,  -1.766)  ( 0.00,  0.02,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-30.394, -15.988,  -6.580)  (-30.393, -15.988,  -6.581)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       ( -7.315,   8.380, -46.059)  ( -7.312,   8.382, -46.046)  ( 0.04,  0.03,  0.03)
170:     bond    ( -4.168,  14.030, -42.962)  ( -4.168,  14.031, -42.950)  ( 0.00,  0.01,  0.03)
170:     angle   ( -2.135,  -0.984,  -0.114)  ( -2.132,  -0.982,  -0.114)  ( 0.13,  0.17,  0.00)
170:     torsion (  0.677,  -4.782,  -1.628)  (  0.677,  -4.782,  -1.628)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.689,   0.115,  -1.355)  ( -1.689,   0.115,  -1.355)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (  4.958,  25.627,  23.772)  (  5.299,  26.233,  22.406)  ( 6.88,  2.36,  5.74)
170:     bond    (-21.244,  25.105,   5.717)  (-21.230,  25.124,   5.718)  ( 0.06,  0.08,  0.02)
170:     angle   ( 48.589,  35.818,  23.035)  ( 48.594,  35.820,  23.036)  ( 0.01,  0.01,  0.01)
170:     torsion (  0.668,   0.795,  -1.016)  (  0.668,   0.796,  -1.015)  ( 0.00,  0.01,  0.08)
170:     oop     ( -1.540,  -2.789,   6.534)  ( -1.219,  -2.206,   5.165)  (20.84, 20.91, 20.95)
170:     vdw     (-21.515, -33.302, -10.497)  (-21.514, -33.301, -10.497)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (334.388, -338.993, 147.058)  (335.030, -337.932, 144.745)  ( 0.19,  0.31,  1.57)
170:     bond    (245.959, -148.392,  15.324)  (245.992, -148.360,  15.334)  ( 0.01,  0.02,  0.06)
170:     angle   (112.192, -138.270, -14.395)  (112.209, -138.258, -14.391)  ( 0.02,  0.01,  0.03)
170:     torsion (-32.536, -52.538, 128.814)  (-32.536, -52.537, 128.821)  ( 0.00,  0.00,  0.01)
170:     oop     ( -3.401,  -6.088,  13.818)  ( -2.811,  -5.072,  11.483)  (17.33, 16.68, 16.89)
170:     vdw     ( 12.174,   6.296,   3.499)  ( 12.175,   6.296,   3.499)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       ( -8.811, 126.417, -29.683)  ( -8.901, 126.178, -29.189)  ( 1.03,  0.19,  1.66)
170:     bond    (-53.853,  48.848,  13.498)  (-53.841,  48.858,  13.499)  ( 0.02,  0.02,  0.00)
170:     angle   (  9.070,   9.509,   1.761)  (  9.073,   9.511,   1.763)  ( 0.03,  0.02,  0.07)
170:     torsion ( 11.812,  29.617, -60.086)  ( 11.812,  29.617, -60.084)  ( 0.00,  0.00,  0.00)
170:     oop     (  0.707,   1.694,  -3.314)  (  0.601,   1.442,  -2.824)  ( 7.48, 14.87, 14.78)
170:     vdw     ( 23.453,  36.748,  18.458)  ( 23.454,  36.749,  18.458)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (-1129.448, 408.109, 803.258)  (-1125.406, 411.794, 805.177)  ( 0.36,  0.90,  0.24)
170:     bond    (-103.997, -219.107, -21.476)  (-103.967, -219.084, -21.459)  ( 0.03,  0.01,  0.08)
170:     angle   (-985.550, 675.773, 895.974)  (-985.487, 675.798, 896.010)  ( 0.01,  0.00,  0.00)
170:     torsion (-26.441, -47.964, -67.461)  (-26.439, -47.965, -67.460)  ( 0.01,  0.00,  0.00)
170:     oop     (-14.976, -16.611, -10.251)  (-11.030, -12.972,  -8.386)  (26.35, 21.91, 18.19)
170:     vdw     (  1.516,  16.018,   6.470)  (  1.516,  16.018,   6.470)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (  8.029, -76.726, 190.394)  (  9.000, -73.463, 192.664)  (12.09,  4.25,  1.19)
170:     bond    ( 15.804,  -6.508, 213.853)  ( 15.823,  -6.489, 213.880)  ( 0.12,  0.29,  0.01)
170:     angle   (  9.137, -63.701,  54.991)  (  9.152, -63.687,  55.003)  ( 0.17,  0.02,  0.02)
170:     torsion (-28.028, -14.619, -75.931)  (-28.027, -14.619, -75.931)  ( 0.00,  0.00,  0.00)
170:     oop     ( -2.980,  -7.720,  -5.117)  ( -2.045,  -4.489,  -2.888)  (31.36, 41.85, 43.56)
170:     vdw     ( 14.096,  15.821,   2.599)  ( 14.097,  15.821,   2.599)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (544.685, -647.845, 1144.815)  (544.894, -657.097, 1142.418)  ( 0.04,  1.43,  0.21)
170:     bond    (-40.591, 144.077, -20.199)  (-40.554, 144.089, -20.173)  ( 0.09,  0.01,  0.13)
170:     angle   (535.295, -1038.003, 1214.776)  (535.321, -1037.947, 1214.846)  ( 0.00,  0.01,  0.01)
170:     torsion ( 63.501, 230.066, -53.972)  ( 63.502, 230.066, -53.971)  ( 0.00,  0.00,  0.00)
170:     oop     ( -7.658,   9.010,   0.631)  ( -7.513,  -0.311,  -1.864)  ( 1.89, 103.45, 157.50)
170:     vdw     ( -5.862,   7.006,   3.579)  ( -5.862,   7.006,   3.579)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (-25.017, -39.696, -27.520)  (-25.013, -39.690, -27.509)  ( 0.02,  0.01,  0.04)
170:     bond    ( -6.707, -23.865, -40.222)  ( -6.707, -23.862, -40.212)  ( 0.00,  0.01,  0.02)
170:     angle   (-28.615, -11.370,  11.517)  (-28.612, -11.367,  11.518)  ( 0.01,  0.02,  0.01)
170:     torsion ( -9.304, -13.104,   9.328)  ( -9.303, -13.104,   9.328)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 19.609,   8.643,  -8.142)  ( 19.610,   8.643,  -8.142)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       ( 14.290, -30.906,   7.031)  ( 14.305, -30.891,   7.038)  ( 0.10,  0.05,  0.10)
170:     bond    ( 22.217, -114.854,  49.575)  ( 22.229, -114.844,  49.577)  ( 0.05,  0.01,  0.01)
170:     angle   (-20.686,  71.228, -58.832)  (-20.684,  71.233, -58.828)  ( 0.01,  0.01,  0.01)
170:     torsion ( 13.827,   0.411,  30.482)  ( 13.827,   0.411,  30.482)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.068,  12.309, -14.194)  ( -1.067,  12.309, -14.194)  ( 0.06,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       (450.743, 515.255, -2323.120)  (436.192, 499.530, -2328.636)  ( 3.23,  3.05,  0.24)
170:     bond    ( 50.241,  79.598, -257.048)  ( 50.261,  79.608, -256.999)  ( 0.04,  0.01,  0.02)
170:     angle   (369.051, 422.919, -2133.459)  (369.088, 422.948, -2133.288)  ( 0.01,  0.01,  0.01)
170:     torsion ( 28.006, -43.443,  37.340)  ( 28.009, -43.441,  37.342)  ( 0.01,  0.00,  0.00)
170:     oop     ( 50.745,  61.195,  23.986)  ( 36.133,  45.430,  18.249)  (28.80, 25.76, 23.92)
170:     vdw     (-47.301,  -5.015,   6.060)  (-47.300,  -5.015,   6.061)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       ( 51.105,  27.669,  35.997)  ( 51.110,  27.681,  36.000)  ( 0.01,  0.05,  0.01)
170:     bond    (  1.170,  30.496,   9.172)  (  1.170,  30.509,   9.173)  ( 0.01,  0.04,  0.01)
170:     angle   ( 49.658,  -2.031,   0.416)  ( 49.663,  -2.031,   0.418)  ( 0.01,  0.01,  0.09)
170:     torsion (  2.337,  -6.343,  20.800)  (  2.338,  -6.343,  20.800)  ( 0.02,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -2.061,   5.547,   5.609)  ( -2.060,   5.547,   5.609)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       ( 17.575,  15.812,  76.004)  ( 27.725,  27.937,  79.728)  (57.75, 76.69,  4.90)
170:     bond    (-11.511,  -7.156,  55.081)  (-11.510,  -7.156,  55.112)  ( 0.01,  0.00,  0.06)
170:     angle   ( 72.532,  34.099,  19.577)  ( 72.536,  34.101,  19.577)  ( 0.01,  0.01,  0.00)
170:     torsion ( -1.053,  22.384,   2.687)  ( -1.052,  22.384,   2.687)  ( 0.08,  0.00,  0.00)
170:     oop     (-25.920, -32.157,  -9.588)  (-15.777, -20.034,  -5.896)  (39.13, 37.70, 38.51)
170:     vdw     (-16.473,  -1.358,   8.248)  (-16.473,  -1.358,   8.248)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       (-124.436, 149.496, -73.657)  (-124.401, 149.529, -73.624)  ( 0.03,  0.02,  0.05)
170:     bond    (-54.298,  27.135, -21.123)  (-54.277,  27.153, -21.103)  ( 0.04,  0.07,  0.09)
170:     angle   (-55.131,  89.961, -34.878)  (-55.117,  89.975, -34.865)  ( 0.03,  0.02,  0.04)
170:     torsion (-16.136,  28.776, -14.773)  (-16.135,  28.777, -14.772)  ( 0.01,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.128,   3.624,  -2.884)  (  1.128,   3.624,  -2.884)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       (-116.990, -319.865, -110.155)  (-116.611, -313.758, -110.031)  ( 0.32,  1.91,  0.11)
170:     bond    (-13.024, -77.021, -88.008)  (-12.998, -77.001, -87.986)  ( 0.20,  0.03,  0.02)
170:     angle   (-117.161, -96.461, -91.911)  (-117.145, -96.444, -91.894)  ( 0.01,  0.02,  0.02)
170:     torsion ( 15.485, -125.268,  65.785)  ( 15.484, -125.267,  65.785)  ( 0.00,  0.00,  0.00)
170:     oop     ( -3.885, -13.509,   2.412)  ( -3.548,  -7.439,   2.497)  ( 8.67, 44.93,  3.51)
170:     vdw     (  1.595,  -7.606,   1.567)  (  1.595,  -7.606,   1.567)  ( 0.04,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       (  3.054, -23.873,   4.399)  (  3.084, -23.844,   4.428)  ( 0.96,  0.12,  0.68)
170:     bond    (-38.663,  58.600,  73.249)  (-38.645,  58.618,  73.268)  ( 0.05,  0.03,  0.03)
170:     angle   ( 39.290, -91.035, -16.476)  ( 39.300, -91.026, -16.467)  ( 0.02,  0.01,  0.06)
170:     torsion (-13.830,   1.214,  -8.197)  (-13.828,   1.216,  -8.196)  ( 0.01,  0.09,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 16.257,   7.348, -44.177)  ( 16.257,   7.348, -44.176)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       ( 24.770, -40.809,  19.275)  ( 24.799, -40.780,  19.305)  ( 0.12,  0.07,  0.15)
170:     bond    (-65.790, -42.791, -42.397)  (-65.771, -42.772, -42.379)  ( 0.03,  0.04,  0.04)
170:     angle   ( 59.888,   6.868,  55.833)  ( 59.898,   6.877,  55.842)  ( 0.02,  0.13,  0.02)
170:     torsion ( 14.868, -26.408,   5.091)  ( 14.869, -26.407,   5.093)  ( 0.00,  0.00,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 15.803,  21.522,   0.748)  ( 15.803,  21.523,   0.748)  ( 0.00,  0.00,  0.02)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       (175.072, 307.178, 222.264)  (171.760, 306.584, 225.028)  ( 1.89,  0.19,  1.24)
170:     bond    (-18.691,  91.685,  -4.967)  (-18.677,  91.723,  -4.945)  ( 0.08,  0.04,  0.46)
170:     angle   (177.843, 227.696, 192.642)  (177.853, 227.714, 192.653)  ( 0.01,  0.01,  0.01)
170:     torsion ( 15.791,   8.817,  10.030)  ( 15.789,   8.817,  10.029)  ( 0.01,  0.00,  0.01)
170:     oop     ( 18.033,   3.483, -15.083)  ( 14.697,   2.832, -12.352)  (18.50, 18.67, 18.10)
170:     vdw     (-17.903, -24.503,  39.642)  (-17.902, -24.502,  39.643)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       (  1.947,  34.327,  35.635)  (  1.953,  34.333,  35.647)  ( 0.28,  0.02,  0.03)
170:     bond    ( -1.983,  13.556,  23.274)  ( -1.983,  13.560,  23.284)  ( 0.00,  0.03,  0.04)
170:     angle   ( 23.714,  18.764,  -8.910)  ( 23.718,  18.767,  -8.909)  ( 0.02,  0.01,  0.01)
170:     torsion (-41.237,  -3.500,  -1.473)  (-41.237,  -3.500,  -1.473)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 21.453,   5.506,  22.745)  ( 21.455,   5.507,  22.745)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       (-95.827, -365.974, -154.353)  (-95.148, -365.799, -154.908)  ( 0.71,  0.05,  0.36)
170:     bond    ( -0.397, -74.774, -11.245)  ( -0.385, -74.751, -11.230)  ( 0.50,  0.03,  0.13)
170:     angle   (-97.730, -272.875, -154.775)  (-97.726, -272.862, -154.770)  ( 0.00,  0.00,  0.00)
170:     torsion ( -1.280,  -0.075,   1.110)  ( -1.279,  -0.075,   1.111)  ( 0.04,  0.00,  0.03)
170:     oop     ( -5.427,  -1.063,   4.722)  ( -4.765,  -0.925,   4.146)  (12.21, 12.95, 12.20)
170:     vdw     (  9.007, -17.186,   5.835)  (  9.007, -17.185,   5.835)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       ( 19.888, -34.478,  16.641)  ( 19.895, -34.471,  16.646)  ( 0.04,  0.02,  0.03)
170:     bond    ( 24.111, -23.901,  16.691)  ( 24.116, -23.896,  16.693)  ( 0.02,  0.02,  0.02)
170:     angle   (-12.220, -17.328,  -7.151)  (-12.218, -17.326,  -7.150)  ( 0.01,  0.01,  0.02)
170:     torsion ( -0.732,   0.033,   1.104)  ( -0.732,   0.033,   1.104)  ( 0.01,  0.00,  0.04)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  8.729,   6.718,   5.998)  (  8.729,   6.718,   5.998)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       ( 10.450,  21.570, -36.828)  ( 10.456,  21.576, -36.821)  ( 0.06,  0.03,  0.02)
170:     bond    ( 19.250,  20.288, -23.061)  ( 19.254,  20.292, -23.056)  ( 0.02,  0.02,  0.02)
170:     angle   (-17.588,  -6.430, -20.346)  (-17.587,  -6.429, -20.345)  ( 0.01,  0.02,  0.01)
170:     torsion (  0.083,  -0.103,  -0.020)  (  0.084,  -0.103,  -0.020)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  8.706,   7.816,   6.600)  (  8.706,   7.816,   6.600)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 26       (-28.753,  26.112,  20.990)  (-28.749,  26.119,  20.998)  ( 0.02,  0.03,  0.04)
170:     bond    (-13.126,  21.965,  25.899)  (-13.124,  21.970,  25.906)  ( 0.01,  0.02,  0.03)
170:     angle   (-26.990,  -6.648,  -8.036)  (-26.987,  -6.647,  -8.035)  ( 0.01,  0.02,  0.01)
170:     torsion ( -0.164,   1.531,  -1.382)  ( -0.164,   1.531,  -1.382)  ( 0.00,  0.02,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 11.526,   9.265,   4.509)  ( 11.526,   9.265,   4.509)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       ( 20.537, -29.022,  23.780)  ( 20.545, -29.015,  23.784)  ( 0.04,  0.03,  0.02)
170:     bond    ( 24.834, -23.991,  13.351)  ( 24.840, -23.986,  13.352)  ( 0.02,  0.02,  0.01)
170:     angle   ( -6.292,   6.628,  23.610)  ( -6.291,   6.629,  23.612)  ( 0.02,  0.02,  0.01)
170:     torsion ( -6.259,  -5.825,   1.181)  ( -6.259,  -5.824,   1.181)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  8.254,  -5.834, -14.362)  (  8.254,  -5.834, -14.362)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 28       (-43.374,  -6.951, -15.471)  (-43.366,  -6.946, -15.466)  ( 0.02,  0.08,  0.03)
170:     bond    (-26.465, -20.050, -18.073)  (-26.458, -20.046, -18.070)  ( 0.03,  0.02,  0.02)
170:     angle   (-22.465,  13.906,  17.462)  (-22.463,  13.907,  17.463)  ( 0.01,  0.01,  0.01)
170:     torsion ( -1.086,   6.316,  -5.417)  ( -1.086,   6.316,  -5.417)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  6.642,  -7.123,  -9.443)  (  6.642,  -7.123,  -9.443)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 29       ( 15.948,  34.448, -19.332)  ( 15.953,  34.454, -19.324)  ( 0.03,  0.02,  0.04)
170:     bond    ( 16.798,  19.680, -23.891)  ( 16.801,  19.684, -23.884)  ( 0.02,  0.02,  0.03)
170:     angle   (-10.822,  23.211,  11.518)  (-10.821,  23.214,  11.520)  ( 0.01,  0.01,  0.01)
170:     torsion (  5.216,  -0.584,   3.188)  (  5.217,  -0.584,   3.188)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  4.757,  -7.860, -10.148)  (  4.757,  -7.860, -10.147)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 30       (163.604, 126.954, 197.382)  (163.610, 126.977, 197.389)  ( 0.00,  0.02,  0.00)
170:     bond    (-17.713,  74.435,  -9.634)  (-17.711,  74.458,  -9.633)  ( 0.01,  0.03,  0.01)
170:     angle   (116.974,  46.100, 141.246)  (116.977,  46.100, 141.250)  ( 0.00,  0.00,  0.00)
170:     torsion (  6.965,   0.874,  -6.054)  (  6.965,   0.874,  -6.054)  ( 0.01,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 57.378,   5.546,  71.824)  ( 57.379,   5.546,  71.826)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 31       (-145.350,  50.635, -141.965)  (-143.708,  50.990, -143.276)  ( 1.13,  0.70,  0.92)
170:     bond    (  1.016,   4.265,   2.313)  (  1.017,   4.290,   2.320)  ( 0.14,  0.59,  0.32)
170:     angle   (-79.797,  65.627, -86.381)  (-79.793,  65.629, -86.377)  ( 0.00,  0.00,  0.00)
170:     torsion ( -5.607,  -1.263,   4.795)  ( -5.607,  -1.263,   4.794)  ( 0.01,  0.00,  0.01)
170:     oop     ( -7.179,  -1.487,   5.896)  ( -5.542,  -1.159,   4.573)  (22.81, 22.04, 22.44)
170:     vdw     (-53.784, -16.507, -68.588)  (-53.783, -16.507, -68.586)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 32 # gradients 
170: ok 33 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       ( 58.134, -10.875,  -0.081)  ( 58.181, -10.849,  -0.045)  ( 0.08,  0.25,  0.29)
170:     bond    ( 73.768, -13.768,   0.023)  ( 73.796, -13.759,   0.044)  ( 0.04,  0.07,  0.05)
170:     angle   ( 49.990,  -9.420,  -0.117)  ( 50.007,  -9.416,  -0.108)  ( 0.03,  0.05,  0.11)
170:     torsion (  0.011,   0.023,  -0.030)  (  0.011,   0.036,  -0.024)  ( 0.00,  0.03,  0.02)
170:     oop     (  0.000,   0.002,  -0.002)  (  0.000,   0.002,  -0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     (-65.635,  12.288,   0.045)  (-65.634,  12.288,   0.045)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       ( 17.936,  -8.798,  14.818)  ( 17.982,  -8.750,  14.845)  ( 0.26,  0.55,  0.18)
170:     bond    ( 92.410, -51.103, -50.286)  ( 92.439, -51.094, -50.266)  ( 0.03,  0.02,  0.04)
170:     angle   (-30.881,  18.740,  19.424)  (-30.868,  18.746,  19.435)  ( 0.04,  0.03,  0.06)
170:     torsion ( -1.948, -10.270,   6.861)  ( -1.947, -10.256,   6.867)  ( 0.03,  0.13,  0.09)
170:     oop     ( -0.022,  -0.118,   0.078)  ( -0.019,  -0.099,   0.066)  ( 0.01,  0.23,  0.10)
170:     vdw     (-41.623,  33.953,  38.741)  (-41.622,  33.954,  38.742)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       ( 15.352,  -1.265, -23.223)  ( 15.386,  -1.280, -23.156)  ( 0.22,  1.16,  0.29)
170:     bond    ( 13.918, -47.527, -68.607)  ( 13.946, -47.517, -68.587)  ( 0.20,  0.02,  0.03)
170:     angle   (-38.335,   4.459,  -1.411)  (-38.321,   4.465,  -1.400)  ( 0.04,  0.13,  0.81)
170:     torsion (  2.965,  11.890,  -8.461)  (  2.966,  11.904,  -8.455)  ( 0.02,  0.11,  0.07)
170:     oop     (  0.050,   0.265,  -0.177)  (  0.041,   0.221,  -0.147)  ( 0.04,  1.17,  0.53)
170:     vdw     ( 36.754,  29.647,  55.432)  ( 36.754,  29.648,  55.433)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       (-40.712,   7.792,   0.007)  (-40.667,   7.823,   0.043)  ( 0.11,  0.40,  0.03)
170:     bond    (-109.736,  20.629,   0.231)  (-109.709,  20.639,   0.252)  ( 0.02,  0.05,  0.48)
170:     angle   ( 17.485,  -3.318,  -0.068)  ( 17.501,  -3.312,  -0.059)  ( 0.09,  0.20,  0.06)
170:     torsion ( -0.039,   0.145,  -0.122)  ( -0.038,   0.157,  -0.115)  ( 0.00,  0.17,  0.08)
170:     oop     ( -0.002,  -0.010,   0.005)  ( -0.001,  -0.008,   0.005)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 51.579,  -9.654,  -0.040)  ( 51.581,  -9.653,  -0.039)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       ( 14.400,  -3.793,  22.280)  ( 14.450,  -3.723,  22.291)  ( 0.34,  1.86,  0.05)
170:     bond    ( 29.904,  39.139,  68.212)  ( 29.932,  39.148,  68.232)  ( 0.09,  0.02,  0.03)
170:     angle   (-37.521,   9.674,   1.433)  (-37.508,   9.680,   1.444)  ( 0.03,  0.07,  0.80)
170:     torsion ( -1.400, -11.441,   7.947)  ( -1.399, -11.427,   7.953)  ( 0.03,  0.12,  0.08)
170:     oop     ( -0.045,  -0.241,   0.160)  ( -0.037,  -0.200,   0.133)  ( 0.03,  0.98,  0.42)
170:     vdw     ( 23.462, -40.924, -55.472)  ( 23.462, -40.924, -55.471)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       ( 20.073,   0.769, -14.669)  ( 20.113,   0.780, -14.618)  ( 0.20,  0.86,  0.34)
170:     bond    (104.923,  13.970,  49.896)  (104.952,  13.980,  49.916)  ( 0.03,  0.07,  0.04)
170:     angle   (-35.503,  -6.310, -19.372)  (-35.489,  -6.305, -19.361)  ( 0.04,  0.08,  0.06)
170:     torsion (  1.762,   9.580,  -6.418)  (  1.763,   9.594,  -6.412)  ( 0.02,  0.14,  0.09)
170:     oop     (  0.020,   0.108,  -0.072)  (  0.017,   0.091,  -0.061)  ( 0.01,  0.18,  0.08)
170:     vdw     (-51.130, -16.580, -38.702)  (-51.129, -16.579, -38.701)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       ( 35.266,  -6.336,  -0.207)  ( 35.310,  -6.298,  -0.180)  ( 0.12,  0.59,  0.57)
170:     bond    ( 27.589,  -4.880,  -0.212)  ( 27.616,  -4.858,  -0.203)  ( 0.10,  0.44,  0.17)
170:     angle   ( 11.180,  -2.101,   0.012)  ( 11.195,  -2.091,   0.018)  ( 0.14,  0.46,  0.01)
170:     torsion ( -0.002,  -0.016,   0.003)  ( -0.002,  -0.011,   0.015)  ( 0.00,  0.01,  0.00)
170:     oop     (  0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.501,   0.661,  -0.010)  ( -3.500,   0.662,  -0.009)  ( 0.04,  0.02,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (-67.073,  -4.316,  14.211)  (-67.033,  -4.278,  14.239)  ( 0.06,  0.89,  0.20)
170:     bond    (-28.824, -42.695,  28.615)  (-28.796, -42.676,  28.622)  ( 0.10,  0.04,  0.03)
170:     angle   ( -8.910, -51.456,  31.603)  ( -8.899, -51.445,  31.607)  ( 0.12,  0.02,  0.01)
170:     torsion (  0.402,   2.129,   3.572)  (  0.402,   2.134,   3.587)  ( 0.01,  0.25,  0.41)
170:     oop     ( -0.001,  -0.006,  -0.010)  ( -0.001,  -0.005,  -0.008)  ( 0.00,  0.00,  0.00)
170:     vdw     (-29.740,  87.712, -49.570)  (-29.740,  87.714, -49.569)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (252.726, 124.577, -102.566)  (252.769, 124.618, -102.539)  ( 0.02,  0.03,  0.03)
170:     bond    ( -4.102,  -5.208,   3.529)  ( -4.072,  -5.183,   3.537)  ( 0.72,  0.48,  0.24)
170:     angle   (190.866,  62.770, -58.735)  (190.879,  62.781, -58.731)  ( 0.01,  0.02,  0.01)
170:     torsion ( -0.008,  -0.046,  -0.082)  ( -0.008,  -0.041,  -0.069)  ( 0.00,  0.02,  0.11)
170:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 65.970,  67.061, -47.275)  ( 65.971,  67.062, -47.275)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (-228.789,  42.830,   0.196)  (-228.758,  42.865,   0.217)  ( 0.01,  0.08,  0.40)
170:     bond    (-23.988,   4.534,  -0.038)  (-23.972,   4.563,  -0.027)  ( 0.07,  0.64,  0.04)
170:     angle   (-243.722,  45.545,   0.214)  (-243.707,  45.548,   0.216)  ( 0.01,  0.01,  0.03)
170:     torsion (  0.006,   0.031,   0.048)  (  0.006,   0.034,   0.056)  ( 0.00,  0.01,  0.04)
170:     oop     (  0.000,   0.001,   0.002)  (  0.000,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 38.914,  -7.281,  -0.030)  ( 38.915,  -7.281,  -0.030)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (190.044, -207.691, 102.032)  (190.089, -207.650, 102.060)  ( 0.02,  0.02,  0.03)
170:     bond    ( -2.495,   6.201,  -3.435)  ( -2.461,   6.222,  -3.426)  ( 1.33,  0.34,  0.25)
170:     angle   (155.225, -127.437,  58.396)  (155.236, -127.424,  58.400)  ( 0.01,  0.01,  0.01)
170:     torsion ( -0.012,  -0.067,  -0.118)  ( -0.012,  -0.062,  -0.105)  ( 0.00,  0.03,  0.15)
170:     oop     ( -0.001,  -0.004,  -0.006)  ( -0.001,  -0.003,  -0.005)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 37.327, -86.385,  47.195)  ( 37.327, -86.383,  47.195)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (-60.187,  27.700, -13.820)  (-60.146,  27.735, -13.795)  ( 0.07,  0.13,  0.18)
170:     bond    (-10.799,  49.795, -28.441)  (-10.771,  49.815, -28.434)  ( 0.25,  0.04,  0.03)
170:     angle   ( 10.364,  51.026, -31.537)  ( 10.376,  51.036, -31.533)  ( 0.12,  0.02,  0.01)
170:     torsion ( -0.390,  -2.077,  -3.496)  ( -0.390,  -2.071,  -3.481)  ( 0.01,  0.25,  0.42)
170:     oop     (  0.002,   0.008,   0.013)  (  0.001,   0.007,   0.011)  ( 0.00,  0.00,  0.00)
170:     vdw     (-59.364, -71.052,  49.642)  (-59.362, -71.051,  49.643)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       ( -0.582,   7.403,  -4.825)  ( -0.574,   7.413,  -4.817)  ( 0.48,  0.13,  0.17)
170:     bond    (  6.712,   7.382,  -5.157)  (  6.717,   7.388,  -5.154)  ( 0.08,  0.09,  0.06)
170:     angle   ( -8.182,   5.707,  -2.478)  ( -8.180,   5.708,  -2.478)  ( 0.03,  0.02,  0.01)
170:     torsion ( -0.038,  -0.202,  -0.342)  ( -0.038,  -0.201,  -0.338)  ( 0.00,  0.03,  0.13)
170:     oop     ( -0.001,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.927,  -5.481,   3.157)  (  0.927,  -5.481,   3.157)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       (-56.958,  -6.366,  10.362)  (-56.952,  -6.354,  10.368)  ( 0.01,  0.18,  0.06)
170:     bond    ( -5.954,  11.782,  -6.350)  ( -5.952,  11.792,  -6.347)  ( 0.04,  0.08,  0.05)
170:     angle   (-53.718, -18.080,  16.780)  (-53.714, -18.080,  16.780)  ( 0.01,  0.00,  0.00)
170:     torsion (  0.017,   0.088,   0.147)  (  0.017,   0.089,   0.150)  ( 0.00,  0.01,  0.04)
170:     oop     (  0.000,   0.000,   0.001)  (  0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.697,  -0.156,  -0.215)  (  2.697,  -0.156,  -0.215)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       ( -9.625, -15.532, -18.122)  ( -9.591, -15.488, -18.101)  ( 0.34,  0.28,  0.12)
170:     bond    (-59.579, -42.061, -79.510)  (-59.561, -42.043, -79.491)  ( 0.03,  0.04,  0.02)
170:     angle   ( 48.208,  11.512,  31.711)  ( 48.218,  11.520,  31.720)  ( 0.02,  0.07,  0.03)
170:     torsion ( -3.549,  -1.214,   3.285)  ( -3.548,  -1.211,   3.286)  ( 0.03,  0.28,  0.05)
170:     oop     ( -0.015,  -0.082,   0.055)  ( -0.013,  -0.068,   0.045)  ( 0.00,  0.12,  0.05)
170:     vdw     (  5.311,  16.313,  26.338)  (  5.312,  16.313,  26.338)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       (-58.385,  10.937,   0.090)  (-58.367,  10.941,   0.094)  ( 0.03,  0.04,  0.04)
170:     bond    (-50.199,   9.397,   0.031)  (-50.181,   9.397,   0.030)  ( 0.04,  0.00,  0.00)
170:     angle   (  0.005,   0.027,   0.040)  (  0.005,   0.028,   0.044)  ( 0.00,  0.00,  0.01)
170:     torsion ( -0.003,  -0.020,   0.011)  ( -0.003,  -0.018,   0.012)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.188,   1.535,   0.008)  ( -8.188,   1.535,   0.008)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       (-49.770,  31.442,  33.871)  (-49.762,  31.448,  33.884)  ( 0.02,  0.02,  0.04)
170:     bond    (-19.987,  26.705,  34.335)  (-19.984,  26.711,  34.344)  ( 0.02,  0.02,  0.03)
170:     angle   (  8.426,   1.110,   4.041)  (  8.430,   1.110,   4.042)  ( 0.05,  0.01,  0.02)
170:     torsion ( -0.173,  -0.918,   0.610)  ( -0.173,  -0.915,   0.611)  ( 0.00,  0.20,  0.06)
170:     oop     (  0.002,   0.010,  -0.007)  (  0.002,   0.009,  -0.006)  ( 0.00,  0.00,  0.00)
170:     vdw     (-38.038,   4.533,  -5.108)  (-38.037,   4.533,  -5.107)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       ( -3.379,  17.606,  18.634)  ( -3.351,  17.623,  18.673)  ( 0.84,  0.10,  0.21)
170:     bond    (-40.343,  60.834,  79.794)  (-40.326,  60.853,  79.813)  ( 0.04,  0.03,  0.02)
170:     angle   ( 40.876, -28.301, -31.675)  ( 40.887, -28.294, -31.666)  ( 0.03,  0.03,  0.03)
170:     torsion ( -2.934,   2.121,  -3.092)  ( -2.933,   2.124,  -3.090)  ( 0.05,  0.15,  0.05)
170:     oop     (  0.014,   0.074,  -0.049)  (  0.011,   0.061,  -0.041)  ( 0.00,  0.09,  0.04)
170:     vdw     ( -0.992, -17.122, -26.344)  ( -0.991, -17.122, -26.343)  ( 0.08,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       (-57.727, -11.202, -33.706)  (-57.717, -11.194, -33.695)  ( 0.02,  0.07,  0.03)
170:     bond    (-28.238, -17.597, -34.196)  (-28.231, -17.594, -34.186)  ( 0.02,  0.01,  0.03)
170:     angle   (  7.423,  -4.071,  -4.039)  (  7.426,  -4.070,  -4.038)  ( 0.04,  0.02,  0.02)
170:     torsion (  0.171,   0.926,  -0.620)  (  0.171,   0.928,  -0.619)  ( 0.00,  0.21,  0.06)
170:     oop     ( -0.002,  -0.011,   0.007)  ( -0.002,  -0.009,   0.006)  ( 0.00,  0.00,  0.00)
170:     vdw     (-37.082,   9.551,   5.142)  (-37.081,   9.551,   5.142)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       ( -3.086,  -6.733,   4.771)  ( -3.080,  -6.722,   4.778)  ( 0.18,  0.17,  0.14)
170:     bond    (  3.610,  -9.358,   5.158)  (  3.612,  -9.348,   5.162)  ( 0.04,  0.11,  0.06)
170:     angle   ( -9.573,  -2.338,   2.462)  ( -9.570,  -2.338,   2.462)  ( 0.04,  0.01,  0.01)
170:     torsion (  0.035,   0.184,   0.307)  (  0.035,   0.185,   0.311)  ( 0.00,  0.02,  0.12)
170:     oop     (  0.000,   0.002,   0.004)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.842,   4.777,  -3.160)  (  2.842,   4.777,  -3.160)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       (-50.786,  26.653, -10.315)  (-50.777,  26.662, -10.309)  ( 0.02,  0.03,  0.06)
170:     bond    ( -9.730,  -8.776,   6.304)  ( -9.723,  -8.770,   6.307)  ( 0.07,  0.06,  0.05)
170:     angle   (-43.615,  36.322, -16.724)  (-43.613,  36.324, -16.723)  ( 0.01,  0.01,  0.00)
170:     torsion ( -0.012,  -0.064,  -0.108)  ( -0.012,  -0.063,  -0.105)  ( 0.00,  0.01,  0.03)
170:     oop     (  0.000,   0.001,   0.002)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.571,  -0.830,   0.211)  (  2.571,  -0.830,   0.211)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       ( 18.552, -36.973,  15.506)  ( 18.557, -36.964,  15.511)  ( 0.03,  0.02,  0.04)
170:     bond    ( 19.795, -29.611,  20.399)  ( 19.798, -29.604,  20.402)  ( 0.02,  0.02,  0.02)
170:     angle   (  2.872,  -9.105, -16.001)  (  2.874,  -9.104, -15.999)  ( 0.06,  0.02,  0.01)
170:     torsion ( -4.473,  -0.508,   3.603)  ( -4.472,  -0.508,   3.603)  ( 0.01,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.357,   2.251,   7.504)  (  0.357,   2.251,   7.504)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       ( 36.577,  15.060, -24.810)  ( 36.584,  15.067, -24.806)  ( 0.02,  0.05,  0.02)
170:     bond    ( 27.162,  26.884, -15.139)  ( 27.168,  26.890, -15.137)  ( 0.02,  0.02,  0.01)
170:     angle   (  2.427,  -9.455, -12.439)  (  2.428,  -9.453, -12.436)  ( 0.05,  0.01,  0.02)
170:     torsion (  6.153,  -6.780,  -0.999)  (  6.153,  -6.779,  -0.999)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.835,   4.410,   3.766)  (  0.835,   4.410,   3.766)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       (-11.279,  28.142,  28.721)  (-11.271,  28.148,  28.729)  ( 0.06,  0.02,  0.03)
170:     bond    (-22.714,  19.690,  26.873)  (-22.710,  19.693,  26.879)  ( 0.02,  0.02,  0.02)
170:     angle   (-25.556,  -5.794, -17.347)  (-25.554,  -5.793, -17.346)  ( 0.01,  0.03,  0.01)
170:     torsion (  0.856,   6.699,  -4.185)  (  0.856,   6.700,  -4.185)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 36.135,   7.547,  23.381)  ( 36.136,   7.547,  23.381)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       ( 30.867,  27.740, -15.486)  ( 30.875,  27.745, -15.480)  ( 0.03,  0.02,  0.04)
170:     bond    ( 29.150,  20.548, -20.555)  ( 29.157,  20.551, -20.551)  ( 0.02,  0.02,  0.02)
170:     angle   (  5.951,   7.443,  15.888)  (  5.952,   7.445,  15.890)  ( 0.02,  0.03,  0.01)
170:     torsion ( -3.753,   1.953,  -3.371)  ( -3.753,   1.953,  -3.371)  ( 0.01,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.482,  -2.204,  -7.448)  ( -0.482,  -2.204,  -7.448)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 26       (-20.778, -21.871, -28.929)  (-20.769, -21.868, -28.921)  ( 0.04,  0.02,  0.03)
170:     bond    (-28.443, -10.256, -26.879)  (-28.436, -10.256, -26.873)  ( 0.02,  0.01,  0.02)
170:     angle   (-21.731,  14.745,  17.364)  (-21.729,  14.747,  17.365)  ( 0.01,  0.01,  0.01)
170:     torsion ( -1.517,  -6.225,   3.980)  ( -1.517,  -6.224,   3.980)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 30.913, -20.135, -23.394)  ( 30.913, -20.135, -23.394)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       ( 28.514, -27.461,  24.727)  ( 28.519, -27.450,  24.731)  ( 0.01,  0.04,  0.02)
170:     bond    ( 15.752, -34.951,  15.142)  ( 15.753, -34.941,  15.143)  ( 0.01,  0.03,  0.01)
170:     angle   (  5.736,   7.985,  12.454)  (  5.737,   7.985,  12.456)  ( 0.03,  0.01,  0.02)
170:     torsion (  7.864,   3.952,   0.936)  (  7.865,   3.952,   0.936)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.837,  -4.447,  -3.804)  ( -0.837,  -4.446,  -3.804)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 34 # gradients 
170: ok 35 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (-90.675, -167.099, -64.344)  (-87.455, -178.051, -63.759)  ( 3.55,  6.55,  0.91)
170:     bond    (-33.270, -17.000, -46.382)  (-33.242, -16.994, -46.354)  ( 0.08,  0.04,  0.06)
170:     angle   (-62.913, -173.302, -32.437)  (-62.903, -173.290, -32.425)  ( 0.02,  0.01,  0.03)
170:     torsion (  6.086, -15.462,   0.527)  (  6.087, -15.461,   0.527)  ( 0.01,  0.01,  0.01)
170:     oop     ( -8.054,  28.772,  -1.032)  ( -4.873,  17.801,  -0.487)  (39.50, 38.13, 52.84)
170:     vdw     (  7.475,   9.893,  14.979)  (  7.476,   9.893,  14.979)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (-103.146,  41.250,  84.469)  (-103.105,  45.401,  84.027)  ( 0.04, 10.06,  0.52)
170:     bond    (-30.404, -27.951, -31.777)  (-30.376, -27.932, -31.758)  ( 0.09,  0.07,  0.06)
170:     angle   (-31.174,  77.031,  52.648)  (-31.161,  77.043,  52.663)  ( 0.04,  0.02,  0.03)
170:     torsion ( -4.894,   4.019,   4.600)  ( -4.893,   4.020,   4.601)  ( 0.02,  0.03,  0.02)
170:     oop     ( -0.033, -10.860,   1.008)  ( -0.033,  -6.741,   0.530)  ( 0.00, 37.93, 47.45)
170:     vdw     (-36.642,  -0.989,  57.990)  (-36.641,  -0.988,  57.991)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (-62.268, -66.625,  80.948)  (-60.276, -70.837,  80.021)  ( 3.20,  6.32,  1.15)
170:     bond    ( 20.613,  26.346,  38.389)  ( 20.632,  26.366,  38.415)  ( 0.09,  0.08,  0.07)
170:     angle   (-17.393, -79.455,  -0.302)  (-17.378, -79.443,  -0.289)  ( 0.08,  0.02,  0.39)
170:     torsion ( -4.249,  -5.163,   1.764)  ( -4.248,  -5.162,   1.765)  ( 0.03,  0.03,  0.04)
170:     oop     ( -4.557,  10.144,   2.339)  ( -2.602,   5.897,   1.371)  (42.91, 41.86, 41.37)
170:     vdw     (-56.682, -18.496,  38.758)  (-56.680, -18.496,  38.759)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       ( -5.276, 111.452,  24.795)  ( -9.577, 124.457,  23.520)  (81.52, 11.67,  5.14)
170:     bond    (  5.718, -13.679,   1.610)  (  5.745, -13.670,   1.639)  ( 0.49,  0.07,  1.86)
170:     angle   ( -4.728, 149.502,  36.591)  ( -4.717, 149.515,  36.602)  ( 0.23,  0.01,  0.03)
170:     torsion ( -4.261,  13.887,  -0.390)  ( -4.260,  13.888,  -0.390)  ( 0.01,  0.01,  0.01)
170:     oop     ( 10.173, -30.870,   2.958)  (  5.833, -17.888,   1.640)  (42.67, 42.05, 44.54)
170:     vdw     (-12.177,  -7.388, -15.973)  (-12.177,  -7.388, -15.972)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (102.097, -25.297, -59.457)  (102.166, -29.987, -58.713)  ( 0.07, 18.54,  1.25)
170:     bond    ( 25.868,  27.546,  31.723)  ( 25.896,  27.565,  31.742)  ( 0.11,  0.07,  0.06)
170:     angle   ( 24.790, -68.458, -33.211)  ( 24.803, -68.446, -33.196)  ( 0.05,  0.02,  0.05)
170:     torsion (  3.373,  -3.168,  -4.940)  (  3.374,  -3.167,  -4.939)  ( 0.03,  0.04,  0.02)
170:     oop     ( -0.050,  11.256,  -1.573)  ( -0.023,   6.533,  -0.866)  ( 0.14, 41.96, 44.95)
170:     vdw     ( 48.115,   7.528, -51.455)  ( 48.116,   7.528, -51.453)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       ( 79.570,  81.165, -78.597)  ( 78.042,  84.901, -77.656)  ( 1.92,  4.60,  1.20)
170:     bond    (-19.273, -25.557, -37.733)  (-19.254, -25.537, -37.706)  ( 0.10,  0.08,  0.07)
170:     angle   ( 29.490,  90.204,  -7.490)  ( 29.505,  90.216,  -7.477)  ( 0.05,  0.01,  0.17)
170:     torsion (  3.940,   6.176,  -2.944)  (  3.941,   6.178,  -2.943)  ( 0.03,  0.02,  0.02)
170:     oop     (  3.919,  -9.828,  -2.445)  (  2.355,  -6.125,  -1.545)  (39.91, 37.67, 36.82)
170:     vdw     ( 61.493,  20.170, -27.985)  ( 61.495,  20.171, -27.985)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (-43.204, -52.831, -65.365)  (-40.815, -56.811, -63.752)  ( 5.53,  7.53,  2.47)
170:     bond    (  0.620,   1.263,   1.049)  (  0.640,   1.284,   1.072)  ( 1.25,  1.69,  2.16)
170:     angle   (-13.478, -60.077, -32.968)  (-13.467, -60.067, -32.957)  ( 0.08,  0.02,  0.03)
170:     torsion ( -0.041,   0.026,   0.006)  ( -0.041,   0.027,   0.006)  ( 0.00,  0.00,  0.00)
170:     oop     ( -5.566,   9.470,  -3.724)  ( -3.208,   5.458,  -2.146)  (42.36, 42.37, 42.38)
170:     vdw     (-24.739,  -3.513, -29.728)  (-24.739,  -3.513, -29.727)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (590.421, -413.338, -453.174)  (588.830, -410.163, -454.033)  ( 0.27,  0.77,  0.19)
170:     bond    (281.609, -267.251, -266.649)  (281.625, -267.221, -266.622)  ( 0.01,  0.01,  0.01)
170:     angle   (301.536, -151.745, -201.468)  (301.544, -151.733, -201.459)  ( 0.00,  0.01,  0.00)
170:     torsion ( -3.751,   8.569,  -5.610)  ( -3.751,   8.569,  -5.608)  ( 0.00,  0.00,  0.03)
170:     oop     (  4.159,  -7.991,   2.085)  (  2.544,  -4.858,   1.187)  (38.83, 39.21, 43.09)
170:     vdw     (  6.867,   5.080,  18.468)  (  6.868,   5.080,  18.469)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (-252.186,  46.511, 376.531)  (-252.182,  46.516, 376.551)  ( 0.00,  0.01,  0.01)
170:     bond    (-119.597, -128.814, 352.507)  (-119.596, -128.812, 352.526)  ( 0.00,  0.00,  0.01)
170:     angle   (-145.561, 173.633,  14.064)  (-145.558, 173.636,  14.065)  ( 0.00,  0.00,  0.01)
170:     torsion (  3.858,  -1.278,   0.842)  (  3.858,  -1.278,   0.842)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  9.114,   2.971,   9.118)  (  9.114,   2.971,   9.118)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (-174.814, 414.517, 106.449)  (-174.811, 414.541, 106.453)  ( 0.00,  0.01,  0.00)
170:     bond    (-38.911, 392.669, -61.048)  (-38.912, 392.692, -61.049)  ( 0.00,  0.01,  0.00)
170:     angle   (-127.613,  12.252, 160.145)  (-127.610,  12.252, 160.149)  ( 0.00,  0.00,  0.00)
170:     torsion ( -2.732,  -0.720,  -2.890)  ( -2.732,  -0.720,  -2.890)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -5.557,  10.317,  10.242)  ( -5.557,  10.317,  10.242)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (-20.966, -20.102,   4.975)  (-20.928, -20.032,   4.860)  ( 0.18,  0.35,  2.30)
170:     bond    (-41.860,  12.275,   5.586)  (-41.836,  12.302,   5.588)  ( 0.06,  0.22,  0.04)
170:     angle   ( 69.839, -39.509, -31.067)  ( 69.854, -39.497, -31.064)  ( 0.02,  0.03,  0.01)
170:     torsion ( -0.189,  -6.630,  19.989)  ( -0.189,  -6.629,  20.004)  ( 0.00,  0.01,  0.08)
170:     oop     (  0.011,  -0.185,   0.813)  (  0.009,  -0.153,   0.679)  ( 0.00,  0.58, 10.96)
170:     vdw     (-48.767,  13.946,   9.654)  (-48.766,  13.946,   9.654)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (-48.581,  -9.470, -19.172)  (-48.539,  -9.460, -19.017)  ( 0.09,  0.10,  0.81)
170:     bond    ( -0.522,  -5.772,  -1.974)  ( -0.494,  -5.746,  -1.972)  ( 1.41,  0.45,  0.11)
170:     angle   ( -0.732,  44.691,  10.937)  ( -0.720,  44.702,  10.937)  ( 0.94,  0.03,  0.01)
170:     torsion ( -0.099,   3.487, -16.209)  ( -0.099,   3.488, -16.189)  ( 0.00,  0.03,  0.12)
170:     oop     ( -0.009,   0.183,  -0.813)  ( -0.008,   0.154,  -0.681)  ( 0.00,  0.55, 10.78)
170:     vdw     (-47.219, -52.059, -11.113)  (-47.218, -52.058, -11.113)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (  9.293, -180.393, -83.284)  (  9.342, -180.430, -82.952)  ( 0.53,  0.02,  0.40)
170:     bond    ( 24.471,  24.991,   4.696)  ( 24.500,  25.014,   4.698)  ( 0.12,  0.09,  0.05)
170:     angle   ( 25.642, -148.454, -38.576)  ( 25.652, -148.439, -38.575)  ( 0.04,  0.01,  0.00)
170:     torsion ( -0.403,   5.757, -21.735)  ( -0.403,   5.759, -21.714)  ( 0.00,  0.02,  0.09)
170:     oop     ( -0.046,   0.462,  -1.801)  ( -0.038,   0.384,  -1.493)  ( 0.04,  3.62, 17.10)
170:     vdw     (-40.370, -63.151, -25.868)  (-40.369, -63.148, -25.869)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       (-42.054, 117.304,  95.769)  (-42.015, 117.511,  95.181)  ( 0.09,  0.18,  0.61)
170:     bond    ( 37.481,  29.457,   7.570)  ( 37.518,  29.484,   7.573)  ( 0.10,  0.09,  0.04)
170:     angle   (-87.919, 119.484,  35.823)  (-87.903, 119.502,  35.823)  ( 0.02,  0.02,  0.00)
170:     torsion (  0.037, -18.981,  76.061)  (  0.037, -18.979,  76.080)  ( 0.00,  0.01,  0.03)
170:     oop     (  0.098,  -0.925,   3.573)  (  0.082,  -0.766,   2.961)  ( 0.16, 14.72, 17.12)
170:     vdw     (  8.249, -11.731, -27.257)  (  8.251, -11.730, -27.257)  ( 0.02,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       ( -1.243,  58.634, -46.276)  ( -1.214,  58.603, -45.898)  ( 2.34,  0.05,  0.82)
170:     bond    (-12.815, -46.771, -13.270)  (-12.788, -46.744, -13.267)  ( 0.21,  0.06,  0.02)
170:     angle   (-11.262,  40.158,  14.208)  (-11.244,  40.172,  14.209)  ( 0.15,  0.04,  0.01)
170:     torsion ( -0.183,  11.511, -45.098)  ( -0.182,  11.513, -45.079)  ( 0.01,  0.02,  0.04)
170:     oop     (  0.104,   0.467,  -2.195)  (  0.086,   0.393,  -1.840)  ( 0.19,  3.49, 16.15)
170:     vdw     ( 22.912,  53.269,   0.079)  ( 22.914,  53.270,   0.079)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       (-70.569,  83.859,  43.385)  (-70.528,  83.986,  43.087)  ( 0.06,  0.15,  0.69)
170:     bond    ( 43.014,  -9.899,   0.673)  ( 43.044,  -9.875,   0.676)  ( 0.07,  0.23,  0.16)
170:     angle   (-68.869,  37.289,   8.467)  (-68.859,  37.304,   8.468)  ( 0.01,  0.04,  0.01)
170:     torsion (  0.769,  -2.246,  11.569)  (  0.769,  -2.244,  11.589)  ( 0.00,  0.06,  0.17)
170:     oop     ( -0.003,  -0.515,   1.925)  ( -0.002,  -0.430,   1.604)  ( 0.00,  4.40, 16.70)
170:     vdw     (-45.480,  59.229,  20.751)  (-45.480,  59.232,  20.751)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       (-192.991, -395.724, -129.219)  (-192.952, -395.744, -128.985)  ( 0.02,  0.00,  0.18)
170:     bond    (-83.920, -169.485,  -3.556)  (-83.894, -169.461,  -3.554)  ( 0.03,  0.01,  0.05)
170:     angle   (-42.478, -50.466,  12.902)  (-42.472, -50.457,  12.906)  ( 0.01,  0.02,  0.03)
170:     torsion ( -6.887,  -7.603,  23.877)  ( -6.886,  -7.602,  23.883)  ( 0.01,  0.00,  0.02)
170:     oop     ( -0.030,   0.296,  -1.145)  ( -0.024,   0.239,  -0.925)  ( 0.02,  1.68, 19.26)
170:     vdw     (-59.677, -168.466, -161.298)  (-59.676, -168.463, -161.295)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       (112.561, 217.395, -31.782)  (112.595, 217.437, -31.748)  ( 0.03,  0.02,  0.11)
170:     bond    (-49.686, 185.503,  41.124)  (-49.667, 185.531,  41.145)  ( 0.04,  0.02,  0.05)
170:     angle   ( 82.350,  40.943, -55.198)  ( 82.361,  40.956, -55.186)  ( 0.01,  0.03,  0.02)
170:     torsion ( 14.356,   1.064, -19.115)  ( 14.358,   1.065, -19.114)  ( 0.01,  0.09,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 65.542, -10.115,   1.408)  ( 65.543, -10.115,   1.408)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       ( -7.556, -40.622,  47.751)  ( -7.528, -40.592,  47.780)  ( 0.37,  0.07,  0.06)
170:     bond    (  8.410,  11.000, -20.862)  (  8.429,  11.018, -20.842)  ( 0.22,  0.17,  0.10)
170:     angle   (-22.599, -32.864,  60.998)  (-22.591, -32.855,  61.007)  ( 0.04,  0.03,  0.01)
170:     torsion ( -9.611,  -2.930,  -2.776)  ( -9.609,  -2.929,  -2.775)  ( 0.01,  0.04,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 16.243, -15.827,  10.390)  ( 16.243, -15.827,  10.390)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       (  1.672, -290.290,   5.310)  (  1.753, -290.231,   5.260)  ( 4.83,  0.02,  0.95)
170:     bond    ( 48.860, -351.645,  36.679)  ( 48.891, -351.609,  36.683)  ( 0.06,  0.01,  0.01)
170:     angle   ( 22.349, 106.451, -23.941)  ( 22.368, 106.474, -23.939)  ( 0.09,  0.02,  0.01)
170:     torsion (-11.068,   6.550,   9.919)  (-11.065,   6.550,   9.936)  ( 0.03,  0.01,  0.17)
170:     oop     ( -0.208,   0.011,   0.576)  ( -0.182,   0.010,   0.502)  ( 0.55,  0.00,  4.26)
170:     vdw     (-58.262, -51.657, -17.922)  (-58.260, -51.656, -17.922)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       (119.256, 619.890,  24.768)  (119.296, 619.932,  24.770)  ( 0.03,  0.01,  0.01)
170:     bond    (128.450, 492.247,  22.211)  (128.464, 492.286,  22.213)  ( 0.01,  0.01,  0.01)
170:     angle   (-17.445,  89.502, -16.170)  (-17.428,  89.506, -16.167)  ( 0.09,  0.00,  0.01)
170:     torsion (-10.722,   1.793,  30.081)  (-10.721,   1.793,  30.093)  ( 0.02,  0.00,  0.04)
170:     oop     (  0.038,   0.000,  -0.106)  (  0.044,  -0.002,  -0.120)  ( 0.02,  0.00,  0.14)
170:     vdw     ( 18.935,  36.347, -11.248)  ( 18.937,  36.348, -11.248)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       (-31.149, -65.327,   7.485)  (-31.139, -65.263,   7.617)  ( 0.03,  0.10,  1.77)
170:     bond    (-184.821, -85.790, -66.524)  (-184.791, -85.756, -66.519)  ( 0.02,  0.04,  0.01)
170:     angle   (174.270, -73.330,  73.268)  (174.287, -73.310,  73.269)  ( 0.01,  0.03,  0.00)
170:     torsion ( -3.641,   0.520,   8.689)  ( -3.637,   0.520,   8.711)  ( 0.09,  0.01,  0.25)
170:     oop     (  0.165,  -0.030,  -0.436)  (  0.125,  -0.023,  -0.332)  ( 0.66,  0.02,  4.54)
170:     vdw     (-17.123,  93.304,  -7.512)  (-17.123,  93.307,  -7.512)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       (-23.983, -22.539, -15.355)  (-23.974, -22.473, -15.214)  ( 0.04,  0.29,  0.92)
170:     bond    (107.750, -252.321,  56.463)  (107.775, -252.281,  56.468)  ( 0.02,  0.02,  0.01)
170:     angle   (-188.480, 168.110, -74.826)  (-188.460, 168.128, -74.824)  ( 0.01,  0.01,  0.00)
170:     torsion (  4.764,  -0.733, -12.644)  (  4.767,  -0.733, -12.617)  ( 0.08,  0.01,  0.21)
170:     oop     (  0.167,  -0.024,  -0.427)  (  0.126,  -0.018,  -0.319)  ( 0.69,  0.02,  4.59)
170:     vdw     ( 51.816,  62.429,  16.078)  ( 51.817,  62.430,  16.078)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       (-340.956, 471.644, -155.708)  (-340.799, 471.689, -155.922)  ( 0.05,  0.01,  0.14)
170:     bond    (-87.772, 315.177, -53.391)  (-87.729, 315.209, -53.383)  ( 0.05,  0.01,  0.01)
170:     angle   (-266.595, 179.453, -119.794)  (-266.580, 179.480, -119.794)  ( 0.01,  0.02,  0.00)
170:     torsion ( -3.047,   0.367,   8.319)  ( -3.044,   0.367,   8.338)  ( 0.10,  0.00,  0.23)
170:     oop     ( -0.533,   0.079,   1.372)  ( -0.437,   0.065,   1.131)  ( 5.14,  0.12, 17.58)
170:     vdw     ( 16.992, -23.433,   7.787)  ( 16.992, -23.432,   7.787)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       (125.716, -305.181,  59.352)  (125.829, -305.134,  59.218)  ( 0.09,  0.02,  0.22)
170:     bond    (-30.214, 190.400, -29.022)  (-30.176, 190.432, -29.016)  ( 0.12,  0.02,  0.02)
170:     angle   (111.351, -427.295,  73.315)  (111.360, -427.271,  73.317)  ( 0.01,  0.01,  0.00)
170:     torsion (  6.776,  -0.115, -18.396)  (  6.779,  -0.115, -18.376)  ( 0.05,  0.00,  0.11)
170:     oop     ( -0.289,   0.080,   0.729)  ( -0.226,   0.067,   0.569)  ( 1.83,  0.11, 11.64)
170:     vdw     ( 38.092, -68.250,  32.725)  ( 38.092, -68.247,  32.725)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 26       (-217.964, -53.713, -70.476)  (-217.943, -53.662, -70.386)  ( 0.01,  0.09,  0.13)
170:     bond    (-129.118, -144.702, -38.830)  (-129.088, -144.673, -38.826)  ( 0.02,  0.02,  0.01)
170:     angle   (-92.939,  94.229, -67.021)  (-92.923,  94.245, -67.016)  ( 0.02,  0.02,  0.01)
170:     torsion ( -0.862,  -0.355,   1.681)  ( -0.860,  -0.355,   1.692)  ( 0.17,  0.01,  0.62)
170:     oop     (  0.159,  -0.034,  -0.406)  (  0.132,  -0.028,  -0.336)  ( 0.43,  0.02,  2.81)
170:     vdw     (  4.796,  -2.851,  34.099)  (  4.796,  -2.851,  34.100)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       (309.239, -201.556, 101.651)  (309.302, -201.516, 101.608)  ( 0.02,  0.02,  0.04)
170:     bond    (248.311, -157.888, 106.012)  (248.345, -157.860, 106.018)  ( 0.01,  0.02,  0.01)
170:     angle   ( 48.554, -35.777,  18.789)  ( 48.560, -35.759,  18.792)  ( 0.01,  0.05,  0.01)
170:     torsion (  9.873,  -2.247, -25.452)  (  9.874,  -2.247, -25.445)  ( 0.01,  0.00,  0.03)
170:     oop     ( -0.142,   0.030,   0.372)  ( -0.120,   0.025,   0.314)  ( 0.31,  0.01,  2.16)
170:     vdw     (  2.642,  -5.673,   1.931)  (  2.643,  -5.673,   1.931)  ( 0.02,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 28       ( 87.379, -176.189,  45.678)  ( 87.415, -176.122,  45.774)  ( 0.04,  0.04,  0.21)
170:     bond    (-122.952, 125.551, -56.601)  (-122.912, 125.596, -56.593)  ( 0.03,  0.04,  0.01)
170:     angle   (212.046, -303.014, 100.749)  (212.065, -302.998, 100.753)  ( 0.01,  0.01,  0.00)
170:     torsion ( -1.009,  -0.804,   2.730)  ( -1.007,  -0.804,   2.747)  ( 0.24,  0.01,  0.65)
170:     oop     (  0.144,  -0.028,  -0.384)  (  0.119,  -0.023,  -0.317)  ( 0.35,  0.01,  2.55)
170:     vdw     ( -0.850,   2.107,  -0.816)  ( -0.850,   2.107,  -0.816)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 29       ( 28.638,  80.760,   2.152)  ( 28.598,  80.784,   2.334)  ( 0.14,  0.03,  8.48)
170:     bond    (-13.342,   5.622,  -5.580)  (-13.316,   5.627,  -5.576)  ( 0.19,  0.08,  0.08)
170:     angle   ( 29.775,  77.751,   7.356)  ( 29.777,  77.759,   7.356)  ( 0.00,  0.01,  0.01)
170:     torsion (  1.225,  -0.163,  -3.094)  (  1.225,  -0.163,  -3.091)  ( 0.05,  0.00,  0.12)
170:     oop     (  0.284,  -0.046,  -0.725)  (  0.216,  -0.035,  -0.551)  ( 1.94,  0.05, 12.68)
170:     vdw     ( 10.696,  -2.404,   4.196)  ( 10.696,  -2.404,   4.196)  ( 0.00,  0.02,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 30       (-51.769, 170.421, -28.422)  (-51.718, 170.451, -28.427)  ( 0.10,  0.02,  0.02)
170:     bond    (-57.140,  -0.068, -21.182)  (-57.114,  -0.050, -21.162)  ( 0.05,  0.13,  0.09)
170:     angle   ( -4.494, 146.661, -12.973)  ( -4.484, 146.674, -12.965)  ( 0.24,  0.01,  0.07)
170:     torsion ( -1.064,   4.904,   2.867)  ( -1.063,   4.906,   2.871)  ( 0.05,  0.03,  0.13)
170:     oop     ( -0.060,   0.012,   0.161)  ( -0.046,   0.009,   0.123)  ( 0.08,  0.00,  0.60)
170:     vdw     ( 10.989,  18.912,   2.706)  ( 10.989,  18.913,   2.706)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 31       (-39.625, -46.446,   4.953)  (-39.572, -46.418,   4.932)  ( 0.13,  0.06,  0.43)
170:     bond    ( 24.264,   1.025, -37.484)  ( 24.284,   1.044, -37.464)  ( 0.08,  1.86,  0.05)
170:     angle   (-64.819, -62.366,  28.293)  (-64.808, -62.354,  28.302)  ( 0.02,  0.02,  0.03)
170:     torsion (  1.880,   5.952,   6.218)  (  1.882,   5.952,   6.219)  ( 0.08,  0.01,  0.01)
170:     oop     ( -0.086,   0.018,   0.218)  ( -0.066,   0.014,   0.166)  ( 0.18,  0.01,  1.13)
170:     vdw     ( -0.864,   8.926,   7.708)  ( -0.864,   8.926,   7.708)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 32       ( 17.161,  37.789, -11.581)  ( 17.192,  37.821, -11.550)  ( 0.18,  0.08,  0.27)
170:     bond    ( -6.574, -42.124,  16.847)  ( -6.556, -42.105,  16.867)  ( 0.28,  0.05,  0.12)
170:     angle   ( 18.684,  57.126, -24.812)  ( 18.694,  57.137, -24.802)  ( 0.05,  0.02,  0.04)
170:     torsion (  8.251,  21.142,   0.462)  (  8.253,  21.143,   0.462)  ( 0.03,  0.01,  0.04)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.200,   1.645,  -4.077)  ( -3.200,   1.645,  -4.077)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 33       ( -4.601, -28.457, -17.819)  ( -4.572, -28.428, -17.789)  ( 0.61,  0.10,  0.16)
170:     bond    ( -2.307,  38.602,  27.693)  ( -2.289,  38.622,  27.712)  ( 0.80,  0.05,  0.07)
170:     angle   ( -1.034, -67.182, -17.928)  ( -1.026, -67.173, -17.919)  ( 0.78,  0.01,  0.05)
170:     torsion (  2.723,  -0.138,   0.283)  (  2.724,  -0.137,   0.284)  ( 0.06,  0.01,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.981,   0.260, -27.867)  ( -3.981,   0.260, -27.866)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 34       (  9.373,  -5.263,  -5.246)  (  9.379,  -5.250,  -5.243)  ( 0.06,  0.24,  0.06)
170:     bond    (  6.793, -18.562,   0.914)  (  6.794, -18.550,   0.914)  ( 0.03,  0.07,  0.01)
170:     angle   ( 12.826,   4.169, -10.756)  ( 12.830,   4.169, -10.754)  ( 0.03,  0.01,  0.02)
170:     torsion (  6.776,   2.158,  -6.569)  (  6.777,   2.159,  -6.568)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-17.022,   6.971,  11.165)  (-17.022,   6.971,  11.165)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 35       (  8.439,   3.595, -13.990)  (  8.444,   3.600, -13.978)  ( 0.06,  0.12,  0.09)
196/208 Test #179: test_math_1 ......................   Passed    2.23 sec
197/208 Test #180: test_math_2 ......................   Passed    2.22 sec
15: /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
199: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testsmartssym.py:1: SyntaxWarning: invalid escape sequence '\P'
199:   """Test OpenBabel executables from Python
199: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:1: SyntaxWarning: invalid escape sequence '\P'
199:   """Test OpenBabel executables from Python
199: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:101: SyntaxWarning: invalid escape sequence '\d'
199:   pat = "(-?\d.*) molecule(?:s?) converted"
199: /usr/lib64/python3.13/subprocess.py:1022: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
199:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
199: /usr/lib64/python3.13/subprocess.py:1028: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
199:   self.stdout = io.open(c2pread, 'rb', bufsize)
199: /usr/lib64/python3.13/subprocess.py:1033: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
199:   self.stderr = io.open(errread, 'rb', bufsize)
199: ....
199: ----------------------------------------------------------------------
199: Ran 4 tests in 1.881s
199: 
199: OK
199: 
198/208 Test #199: pytest_smartssym .................   Passed    2.17 sec
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y1o_t26.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y1w_849.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y1x_845.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y2b_mhi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y2f_yi1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y2v_me2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y37_a54.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y3i_la8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y41_ipm.sdf
162:     oop     ( -0.035,  -0.633,   2.435)  ( -0.035,  -0.633,   2.436)  ( 0.00,  0.00,  0.03)
162:     vdw     (-23.572,  13.279,   7.220)  (-23.571,  13.280,   7.220)  ( 0.00,  0.01,  0.00)
162:     electro (  0.029,  -0.261,  -0.103)  (  0.029,  -0.261,  -0.103)  ( 0.00,  0.00,  0.00)
162: 17       (-34.139,  -6.910,  -2.404)  (-34.120,  -6.891,  -2.401)  ( 0.06,  0.27,  0.15)
162:     bond    (-16.269,  56.492,   4.485)  (-16.253,  56.504,   4.485)  ( 0.10,  0.02,  0.00)
162:     angle   ( -8.391,  -9.142,   8.465)  ( -8.388,  -9.137,   8.467)  ( 0.04,  0.06,  0.02)
162:     torsion ( -0.305,  -1.435,   4.824)  ( -0.305,  -1.435,   4.825)  ( 0.00,  0.00,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.781, -48.880, -28.596)  ( -6.781, -48.878, -28.596)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.393,  -3.945,   8.418)  ( -2.393,  -3.945,   8.418)  ( 0.00,  0.00,  0.00)
162: 18       (146.126, -63.992, -117.741)  (146.152, -63.966, -117.715)  ( 0.02,  0.04,  0.02)
162:     bond    ( 60.804, -67.609, -76.802)  ( 60.822, -67.592, -76.783)  ( 0.03,  0.03,  0.02)
162:     angle   ( 50.538,   6.452, -38.791)  ( 50.546,   6.461, -38.783)  ( 0.02,  0.14,  0.02)
162:     torsion (  1.410,  -0.020,  -3.542)  (  1.410,  -0.020,  -3.541)  ( 0.02,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 31.773,  -2.217,   1.567)  ( 31.774,  -2.217,   1.566)  ( 0.00,  0.00,  0.00)
162:     electro (  1.601,  -0.598,  -0.174)  (  1.601,  -0.598,  -0.174)  ( 0.00,  0.00,  0.00)
162: 19       (-12.259, -67.676, 112.616)  (-12.232, -67.650, 112.643)  ( 0.22,  0.04,  0.02)
162:     bond    ( -2.071, -43.907,  76.597)  ( -2.053, -43.888,  76.616)  ( 0.91,  0.04,  0.02)
162:     angle   (-16.897, -16.971,  31.218)  (-16.889, -16.963,  31.226)  ( 0.04,  0.04,  0.03)
162:     torsion ( -1.851,  -0.486,  -0.491)  ( -1.851,  -0.485,  -0.491)  ( 0.01,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  9.091,  -6.867,   5.637)  (  9.091,  -6.867,   5.637)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.531,   0.554,  -0.344)  ( -0.531,   0.554,  -0.344)  ( 0.00,  0.00,  0.00)
162: 20       (-413.734, -385.279, -145.698)  (-413.703, -385.240, -145.691)  ( 0.01,  0.01,  0.01)
162:     bond    (-403.589, -414.547, -130.803)  (-403.566, -414.518, -130.800)  ( 0.01,  0.01,  0.00)
162:     angle   ( 12.719,  44.244, -14.018)  ( 12.726,  44.252, -14.017)  ( 0.05,  0.02,  0.01)
162:     torsion ( -3.504,   1.828,   4.666)  ( -3.503,   1.828,   4.670)  ( 0.03,  0.01,  0.08)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-22.891, -15.051,  -5.706)  (-22.890, -15.050,  -5.706)  ( 0.00,  0.00,  0.00)
162:     electro (  3.530,  -1.753,   0.162)  (  3.530,  -1.753,   0.162)  ( 0.00,  0.00,  0.00)
162: 21       ( 69.031, 439.916,  27.194)  ( 69.050, 439.947,  27.199)  ( 0.03,  0.01,  0.02)
162:     bond    (105.109, 354.969,  20.611)  (105.119, 354.998,  20.612)  ( 0.01,  0.01,  0.01)
162:     angle   (-38.753,  59.524, -20.345)  (-38.746,  59.526, -20.344)  ( 0.02,  0.00,  0.00)
162:     torsion (-12.418,   1.804,  34.038)  (-12.418,   1.804,  34.040)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 19.702,  24.237,  -7.723)  ( 19.703,  24.238,  -7.723)  ( 0.01,  0.00,  0.00)
162:     electro ( -4.609,  -0.619,   0.613)  ( -4.609,  -0.619,   0.613)  ( 0.00,  0.00,  0.00)
162: 22       (-319.638, -256.278, -99.435)  (-319.607, -256.241, -99.429)  ( 0.01,  0.01,  0.01)
162:     bond    (-309.224, -196.267, -103.821)  (-309.200, -196.240, -103.818)  ( 0.01,  0.01,  0.00)
162:     angle   (  0.878, -118.814,  10.313)  (  0.885, -118.806,  10.312)  ( 0.62,  0.01,  0.01)
162:     torsion (  0.525,  -0.158,  -1.178)  (  0.526,  -0.158,  -1.175)  ( 0.02,  0.00,  0.22)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-12.918,  62.748,  -5.117)  (-12.918,  62.750,  -5.117)  ( 0.00,  0.00,  0.00)
162:     electro (  1.100,  -3.786,   0.369)  (  1.100,  -3.786,   0.369)  ( 0.00,  0.00,  0.00)
162: 23       ( 60.304,  68.497,  13.003)  ( 60.331,  68.534,  13.011)  ( 0.05,  0.05,  0.06)
162:     bond    (141.796, -93.271,  59.722)  (141.815, -93.242,  59.724)  ( 0.01,  0.03,  0.00)
162:     angle   (-104.386, 137.818, -48.662)  (-104.379, 137.825, -48.660)  ( 0.01,  0.01,  0.00)
162:     torsion (  1.522,  -0.256,  -4.043)  (  1.522,  -0.256,  -4.039)  ( 0.03,  0.00,  0.09)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 20.305,  23.042,   6.134)  ( 20.305,  23.042,   6.134)  ( 0.00,  0.00,  0.00)
162:     electro (  1.068,   1.164,  -0.149)  (  1.068,   1.164,  -0.149)  ( 0.00,  0.00,  0.00)
162: 24       (-67.290,  -9.475, -27.056)  (-67.249,  -9.439, -27.047)  ( 0.06,  0.38,  0.04)
162:     bond    (-30.633, -25.999, -10.170)  (-30.600, -25.974, -10.164)  ( 0.11,  0.10,  0.06)
162:     angle   (-40.862,  34.218, -18.476)  (-40.855,  34.229, -18.475)  ( 0.02,  0.03,  0.01)
162:     torsion ( -0.394,   0.036,   1.094)  ( -0.393,   0.036,   1.097)  ( 0.02,  0.00,  0.30)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.081, -11.814,   5.483)  ( 13.082, -11.814,   5.483)  ( 0.00,  0.00,  0.00)
162:     electro ( -8.482,  -5.916,  -4.988)  ( -8.482,  -5.916,  -4.988)  ( 0.00,  0.00,  0.00)
162: 25       (301.981, -105.140, 116.200)  (302.013, -105.103, 116.207)  ( 0.01,  0.04,  0.01)
162:     bond    (247.377,  -1.415,  95.326)  (247.401,  -1.391,  95.329)  ( 0.01,  1.69,  0.00)
162:     angle   (  9.935, -102.399,  11.221)  (  9.941, -102.388,  11.222)  ( 0.07,  0.01,  0.01)
162:     torsion ( 13.540,  -2.349, -35.450)  ( 13.541,  -2.349, -35.447)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 30.680, -16.006,  36.690)  ( 30.680, -16.003,  36.690)  ( 0.00,  0.02,  0.00)
162:     electro (  0.449,  17.028,   8.413)  (  0.449,  17.028,   8.413)  ( 0.00,  0.00,  0.00)
162: 26       (-48.127, -45.901, -29.735)  (-48.099, -45.868, -29.729)  ( 0.06,  0.07,  0.02)
162:     bond    (-163.266,   6.242, -62.884)  (-163.245,   6.266, -62.882)  ( 0.01,  0.38,  0.00)
162:     angle   (113.983, -50.151,  14.930)  (113.990, -50.142,  14.932)  ( 0.01,  0.02,  0.01)
162:     torsion ( -0.811,  -0.077,   1.712)  ( -0.811,  -0.077,   1.714)  ( 0.02,  0.00,  0.10)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.135,  -1.084,  16.039)  (  2.135,  -1.084,  16.039)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.168,  -0.831,   0.468)  ( -0.168,  -0.831,   0.468)  ( 0.00,  0.00,  0.00)
162: 27       (215.505, 204.878,  65.902)  (215.528, 204.903,  65.906)  ( 0.01,  0.01,  0.01)
162:     bond    (178.269,  51.348,  64.154)  (178.290,  51.364,  64.157)  ( 0.01,  0.03,  0.00)
162:     angle   ( 32.662, 155.314,   0.163)  ( 32.664, 155.322,   0.163)  ( 0.01,  0.01,  0.00)
162:     torsion (  0.325,  -0.050,  -0.859)  (  0.325,  -0.050,  -0.857)  ( 0.01,  0.00,  0.12)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.602,  -4.752,   2.472)  (  3.602,  -4.752,   2.472)  ( 0.01,  0.00,  0.00)
162:     electro (  0.647,   3.018,  -0.028)  (  0.647,   3.018,  -0.028)  ( 0.00,  0.00,  0.00)
162: 28       ( 79.090, -164.187,  43.019)  ( 79.122, -164.151,  43.028)  ( 0.04,  0.02,  0.02)
162:     bond    ( 29.223,  52.556,   7.122)  ( 29.247,  52.583,   7.125)  ( 0.08,  0.05,  0.05)
162:     angle   ( 52.488, -224.762,  35.854)  ( 52.495, -224.753,  35.856)  ( 0.01,  0.00,  0.01)
162:     torsion ( -0.555,   0.089,   1.476)  ( -0.554,   0.089,   1.479)  ( 0.02,  0.00,  0.19)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.194,   1.911,  -1.050)  ( -1.194,   1.911,  -1.050)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.872,   6.019,  -0.383)  ( -0.872,   6.019,  -0.383)  ( 0.00,  0.00,  0.00)
162: 29       (-19.992,  10.306,  -8.017)  (-19.972,  10.313,  -8.013)  ( 0.10,  0.07,  0.05)
162:     bond    (-23.634,   9.974,  -9.891)  (-23.614,   9.978,  -9.888)  ( 0.08,  0.04,  0.04)
162:     angle   (  4.940,  12.856,   1.179)  (  4.940,  12.859,   1.179)  ( 0.01,  0.03,  0.00)
162:     torsion (  0.275,  -0.037,  -0.696)  (  0.275,  -0.037,  -0.695)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.348, -10.851,  -0.672)  ( -3.348, -10.850,  -0.672)  ( 0.00,  0.00,  0.00)
162:     electro (  1.774,  -1.636,   2.064)  (  1.774,  -1.636,   2.064)  ( 0.00,  0.00,  0.00)
162: 30       ( 28.568, 118.247,   2.614)  ( 28.595, 118.276,   2.641)  ( 0.10,  0.02,  1.02)
162:     bond    ( 26.025,   1.138,   9.660)  ( 26.044,   1.157,   9.680)  ( 0.07,  1.67,  0.20)
162:     angle   ( -2.031, 105.588,  -8.649)  ( -2.023, 105.597,  -8.642)  ( 0.39,  0.01,  0.08)
162:     torsion ( -0.265,   0.055,   0.711)  ( -0.265,   0.055,   0.711)  ( 0.00,  0.00,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.833,  12.485,   0.837)  (  4.833,  12.485,   0.837)  ( 0.00,  0.00,  0.00)
162:     electro (  0.006,  -1.018,   0.054)  (  0.006,  -1.018,   0.054)  ( 0.00,  0.00,  0.00)
162: 31       (-118.008, -29.322,  76.846)  (-117.980, -29.294,  76.872)  ( 0.02,  0.09,  0.03)
162:     bond    (-60.072,  25.033,  41.153)  (-60.053,  25.052,  41.171)  ( 0.03,  0.07,  0.04)
162:     angle   (-57.334, -58.998,  31.573)  (-57.325, -58.989,  31.580)  ( 0.01,  0.01,  0.02)
162:     torsion ( -0.243,   0.254,   1.067)  ( -0.243,   0.254,   1.068)  ( 0.01,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.358,   4.364,   3.091)  ( -0.358,   4.364,   3.091)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.002,   0.024,  -0.038)  ( -0.002,   0.024,  -0.038)  ( 0.00,  0.00,  0.00)
162: 32       ( 21.941,  96.497, -38.091)  ( 21.968,  96.524, -38.065)  ( 0.12,  0.03,  0.07)
162:     bond    (  6.399,  78.046, -23.251)  (  6.418,  78.064, -23.233)  ( 0.29,  0.02,  0.08)
162:     angle   ( 17.859,  16.298, -11.339)  ( 17.867,  16.307, -11.331)  ( 0.04,  0.05,  0.07)
162:     torsion (  0.103,   1.410,  -0.517)  (  0.103,   1.410,  -0.517)  ( 0.00,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.984,   0.260,  -2.257)  ( -1.984,   0.260,  -2.257)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.436,   0.483,  -0.726)  ( -0.436,   0.483,  -0.726)  ( 0.00,  0.00,  0.00)
162: 33       ( -0.203, -82.320, -65.334)  ( -0.177, -82.294, -65.307)  ( 0.54,  0.03,  0.04)
162:     bond    (  0.483, -51.986, -43.271)  (  0.502, -51.967, -43.253)  ( 0.92,  0.04,  0.04)
162:     angle   (  0.825, -30.598, -10.208)  (  0.833, -30.590, -10.201)  ( 0.59,  0.03,  0.07)
162:     torsion (  0.419,  -0.019,   0.041)  (  0.420,  -0.019,   0.041)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.518,   0.166, -11.482)  ( -1.518,   0.166, -11.481)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.414,   0.116,  -0.413)  ( -0.414,   0.116,  -0.413)  ( 0.00,  0.00,  0.00)
162: 34       ( 28.189, -56.951,  -1.521)  ( 28.193, -56.938,  -1.518)  ( 0.02,  0.02,  0.17)
162:     bond    ( 22.740, -62.102,   3.059)  ( 22.742, -62.090,   3.059)  ( 0.01,  0.02,  0.01)
162:     angle   (  8.629,   2.796,  -7.421)  (  8.631,   2.796,  -7.419)  ( 0.03,  0.01,  0.03)
162:     torsion (  0.979,   0.305,  -1.082)  (  0.979,   0.305,  -1.082)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.351,   1.650,   3.098)  ( -4.351,   1.650,   3.098)  ( 0.00,  0.00,  0.00)
162:     electro (  0.192,   0.402,   0.825)  (  0.192,   0.402,   0.825)  ( 0.00,  0.00,  0.00)
162: 35       ( 23.961,  22.658, -58.454)  ( 23.965,  22.662, -58.442)  ( 0.01,  0.02,  0.02)
162:     bond    ( 15.695,  24.384, -60.652)  ( 15.696,  24.386, -60.640)  ( 0.01,  0.01,  0.02)
162:     angle   ( 12.639,  -1.024,   2.860)  ( 12.642,  -1.022,   2.861)  ( 0.02,  0.18,  0.02)
162:     torsion ( -0.438,   0.017,  -0.107)  ( -0.438,   0.017,  -0.107)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.537,  -1.666,  -1.662)  ( -4.537,  -1.666,  -1.662)  ( 0.00,  0.00,  0.00)
162:     electro (  0.603,   0.947,   1.106)  (  0.603,   0.947,   1.106)  ( 0.00,  0.00,  0.00)
162: 36       ( 63.903,   1.291,  -9.759)  ( 63.917,   1.294,  -9.756)  ( 0.02,  0.20,  0.03)
162:     bond    ( 65.790,  -3.836,  -9.623)  ( 65.804,  -3.836,  -9.622)  ( 0.02,  0.01,  0.01)
162:     angle   ( -0.500,   5.235,  -5.508)  ( -0.500,   5.237,  -5.506)  ( 0.00,  0.04,  0.04)
162:     torsion ( -0.009,  -0.753,   0.237)  ( -0.009,  -0.753,   0.237)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.878,   0.527,   4.101)  ( -0.878,   0.527,   4.101)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.499,   0.119,   1.034)  ( -0.499,   0.119,   1.034)  ( 0.00,  0.00,  0.00)
162: 37       ( -9.271,  60.648,  -9.108)  ( -9.268,  60.661,  -9.105)  ( 0.04,  0.02,  0.03)
162:     bond    (-17.431,  62.884,  -7.653)  (-17.430,  62.897,  -7.652)  ( 0.01,  0.02,  0.01)
162:     angle   (  8.734,   1.467,  -7.843)  (  8.736,   1.467,  -7.841)  ( 0.02,  0.01,  0.03)
162:     torsion (  1.973,   0.481,  -0.542)  (  1.973,   0.481,  -0.542)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.279,  -4.010,   5.533)  ( -2.279,  -4.010,   5.533)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.268,  -0.174,   1.397)  ( -0.268,  -0.174,   1.397)  ( 0.00,  0.00,  0.00)
162: 38       (-16.458, -18.347,  59.777)  (-16.455, -18.343,  59.789)  ( 0.02,  0.02,  0.02)
162:     bond    (-14.915, -23.631,  60.460)  (-14.914, -23.629,  60.472)  ( 0.01,  0.01,  0.02)
162:     angle   ( -6.543,   3.669,  -0.179)  ( -6.540,   3.671,  -0.179)  ( 0.04,  0.05,  0.01)
162:     torsion (  0.344,  -0.544,  -0.128)  (  0.344,  -0.544,  -0.128)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.903,   1.685,  -0.006)  (  3.903,   1.685,  -0.006)  ( 0.00,  0.00,  0.00)
162:     electro (  0.753,   0.475,  -0.371)  (  0.753,   0.475,  -0.371)  ( 0.00,  0.00,  0.00)
162: 39       (-25.095,  56.685,   3.665)  (-25.091,  56.698,   3.668)  ( 0.02,  0.02,  0.07)
162:     bond    (-22.755,  61.554,  -3.326)  (-22.753,  61.566,  -3.326)  ( 0.01,  0.02,  0.01)
162:     angle   ( -9.216,  -3.000,   7.499)  ( -9.213,  -3.000,   7.501)  ( 0.02,  0.01,  0.03)
162:     torsion ( -0.769,  -0.189,   1.757)  ( -0.769,  -0.189,   1.757)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.660,  -1.802,  -2.186)  (  6.660,  -1.802,  -2.186)  ( 0.00,  0.00,  0.00)
162:     electro (  0.985,   0.123,  -0.078)  (  0.985,   0.123,  -0.078)  ( 0.00,  0.00,  0.00)
162: 40       (-65.919,  -0.873,  16.880)  (-65.906,  -0.870,  16.884)  ( 0.02,  0.22,  0.02)
162:     bond    (-66.810,   3.375,  10.478)  (-66.796,   3.376,  10.478)  ( 0.02,  0.01,  0.01)
162:     angle   (  1.413,  -5.003,  10.616)  (  1.413,  -5.001,  10.618)  ( 0.01,  0.04,  0.02)
162:     torsion ( -0.080,  -0.246,  -0.431)  ( -0.080,  -0.246,  -0.431)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.119,  -0.016,  -3.644)  ( -0.119,  -0.016,  -3.644)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.323,   1.018,  -0.138)  ( -0.323,   1.018,  -0.138)  ( 0.00,  0.00,  0.00)
162: 41       ( 12.030, -60.568,  14.896)  ( 12.034, -60.555,  14.899)  ( 0.03,  0.02,  0.02)
162:     bond    ( 18.258, -63.191,   7.895)  ( 18.259, -63.178,   7.896)  ( 0.01,  0.02,  0.01)
162:     angle   ( -7.961,  -0.960,  10.725)  ( -7.959,  -0.960,  10.727)  ( 0.02,  0.02,  0.02)
162:     torsion ( -0.871,  -0.147,   0.836)  ( -0.871,  -0.147,   0.836)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.556,   3.027,  -5.023)  (  2.556,   3.028,  -5.023)  ( 0.00,  0.00,  0.00)
162:     electro (  0.049,   0.702,   0.463)  (  0.049,   0.702,   0.463)  ( 0.00,  0.00,  0.00)
162: 42       ( -9.460,  56.170,   5.244)  ( -9.457,  56.183,   5.247)  ( 0.04,  0.02,  0.05)
162:     bond    (-16.292,  56.900,  -2.500)  (-16.291,  56.913,  -2.500)  ( 0.01,  0.02,  0.01)
162:     angle   (  9.866,   3.363,  12.263)  (  9.868,   3.363,  12.266)  ( 0.02,  0.00,  0.02)
162:     torsion ( -0.024,  -0.006,   0.020)  ( -0.023,  -0.006,   0.020)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.417,  -3.477,  -3.780)  ( -2.417,  -3.477,  -3.780)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.594,  -0.611,  -0.759)  ( -0.594,  -0.611,  -0.759)  ( 0.00,  0.00,  0.00)
162: 43       ( 58.073,  -1.976,   2.889)  ( 58.087,  -1.973,   2.891)  ( 0.02,  0.13,  0.10)
162:     bond    ( 58.666,  -3.179,  -7.229)  ( 58.680,  -3.178,  -7.228)  ( 0.02,  0.01,  0.01)
162:     angle   (  1.855,   1.963,  14.192)  (  1.855,   1.965,  14.195)  ( 0.00,  0.11,  0.02)
162:     torsion (  0.010,  -0.247,   0.188)  (  0.010,  -0.247,   0.188)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.755,  -0.423,  -3.552)  ( -1.755,  -0.423,  -3.552)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.703,  -0.090,  -0.712)  ( -0.703,  -0.090,  -0.712)  ( 0.00,  0.00,  0.00)
162: 44       ( -2.553, -17.136,  55.620)  ( -2.550, -17.132,  55.633)  ( 0.12,  0.02,  0.02)
162:     bond    (-11.943, -20.711,  54.183)  (-11.942, -20.709,  54.195)  ( 0.01,  0.01,  0.02)
162:     angle   ( 12.833,   4.621,   4.594)  ( 12.835,   4.623,   4.595)  ( 0.02,  0.04,  0.01)
162:     torsion (  0.297,  -0.227,  -0.021)  (  0.297,  -0.227,  -0.021)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.070,  -0.743,  -2.352)  ( -3.070,  -0.743,  -2.352)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.671,  -0.076,  -0.784)  ( -0.671,  -0.076,  -0.784)  ( 0.00,  0.00,  0.00)
162: 45       ( 27.102,  34.168,   8.332)  ( 27.110,  34.177,   8.334)  ( 0.03,  0.03,  0.02)
162:     bond    ( 31.075,  30.987,   6.962)  ( 31.082,  30.994,   6.962)  ( 0.02,  0.02,  0.01)
162:     angle   ( -4.082,   3.876,   0.958)  ( -4.081,   3.877,   0.958)  ( 0.04,  0.04,  0.01)
162:     torsion ( -0.015,   0.166,  -0.674)  ( -0.015,   0.166,  -0.673)  ( 0.00,  0.00,  0.09)
162:     oop     (  0.003,  -0.054,   0.224)  (  0.003,  -0.054,   0.224)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.670,  -2.499,   0.018)  (  1.670,  -2.499,   0.018)  ( 0.01,  0.00,  0.00)
162:     electro ( -1.550,   1.693,   0.844)  ( -1.550,   1.693,   0.844)  ( 0.00,  0.00,  0.00)
162: 46       (  1.997,  42.527,  11.125)  (  2.002,  42.540,  11.127)  ( 0.24,  0.03,  0.02)
162:     bond    ( -7.218,  36.059,   9.415)  ( -7.217,  36.072,   9.416)  ( 0.01,  0.04,  0.01)
162:     angle   ( 33.747,   6.444,   1.182)  ( 33.751,   6.444,   1.182)  ( 0.01,  0.00,  0.00)
162:     torsion (  0.021,  -0.670,   2.582)  (  0.021,  -0.670,   2.583)  ( 0.00,  0.01,  0.05)
162:     oop     (  0.010,  -0.092,   0.361)  (  0.010,  -0.092,   0.361)  ( 0.00,  0.00,  0.00)
162:     vdw     (-23.961,  -0.589,  -2.766)  (-23.960,  -0.589,  -2.766)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.603,   1.374,   0.352)  ( -0.603,   1.374,   0.352)  ( 0.00,  0.00,  0.00)
162: 47       (  9.288, -38.945, -13.120)  (  9.293, -38.932, -13.118)  ( 0.05,  0.03,  0.02)
162:     bond    ( 11.188, -38.851, -10.799)  ( 11.189, -38.839, -10.798)  ( 0.01,  0.03,  0.01)
162:     angle   ( 14.206,   3.896,   0.711)  ( 14.210,   3.896,   0.711)  ( 0.02,  0.01,  0.00)
162:     torsion ( -0.076,   1.280,  -4.685)  ( -0.076,   1.281,  -4.684)  ( 0.00,  0.01,  0.03)
162:     oop     (  0.019,   0.262,  -0.924)  (  0.019,   0.262,  -0.924)  ( 0.00,  0.00,  0.01)
162:     vdw     (-16.315,  -5.485,   2.850)  (-16.314,  -5.485,   2.850)  ( 0.00,  0.00,  0.00)
162:     electro (  0.265,  -0.047,  -0.273)  (  0.265,  -0.047,  -0.273)  ( 0.00,  0.00,  0.00)
162: 48       (-60.403,  -5.035,  21.722)  (-60.390,  -5.032,  21.726)  ( 0.02,  0.06,  0.01)
162:     bond    (-64.105,  -1.676,  15.103)  (-64.092,  -1.676,  15.104)  ( 0.02,  0.02,  0.01)
162:     angle   (  1.444,  -3.785,   5.707)  (  1.444,  -3.783,   5.710)  ( 0.01,  0.06,  0.04)
162:     torsion (  0.505,   0.134,   2.158)  (  0.505,   0.134,   2.158)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.001,   0.692,  -0.603)  ( -0.001,   0.692,  -0.603)  ( 0.00,  0.00,  0.00)
162:     electro (  1.754,  -0.400,  -0.643)  (  1.754,  -0.400,  -0.643)  ( 0.00,  0.00,  0.00)
162: 49       (  6.656,  15.165,  51.683)  (  6.661,  15.170,  51.692)  ( 0.08,  0.03,  0.02)
162:     bond    ( 22.852,  22.698,  38.776)  ( 22.855,  22.701,  38.784)  ( 0.01,  0.01,  0.02)
162:     angle   (-29.656,  -3.057,  19.263)  (-29.655,  -3.055,  19.263)  ( 0.01,  0.07,  0.00)
162:     torsion (  0.273,   0.567,  -0.493)  (  0.274,   0.567,  -0.493)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 11.331,  -3.920,  -4.538)  ( 11.332,  -3.920,  -4.538)  ( 0.00,  0.00,  0.00)
162:     electro (  1.856,  -1.123,  -1.324)  (  1.856,  -1.123,  -1.324)  ( 0.00,  0.00,  0.00)
162: 50       (-19.312,  60.730,  -2.431)  (-19.308,  60.742,  -2.429)  ( 0.02,  0.02,  0.11)
162:     bond    (-22.985,  58.803,   4.459)  (-22.983,  58.816,   4.459)  ( 0.01,  0.02,  0.01)
162:     angle   (  3.694,   2.016,  -7.548)  (  3.695,   2.016,  -7.546)  ( 0.05,  0.01,  0.03)
162:     torsion (  0.076,   0.028,   0.025)  (  0.076,   0.028,   0.025)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.302,  -0.163,   0.422)  ( -0.302,  -0.163,   0.422)  ( 0.00,  0.00,  0.00)
162:     electro (  0.205,   0.045,   0.211)  (  0.205,   0.045,   0.211)  ( 0.00,  0.00,  0.00)
162: 51       ( 53.698,   9.523, -25.687)  ( 53.711,   9.525, -25.684)  ( 0.02,  0.03,  0.01)
162:     bond    ( 54.442,   4.355, -16.447)  ( 54.455,   4.355, -16.445)  ( 0.02,  0.01,  0.01)
162:     angle   ( -6.098,  11.773, -17.075)  ( -6.098,  11.775, -17.073)  ( 0.00,  0.02,  0.01)
162:     torsion ( -0.007,  -0.072,  -0.041)  ( -0.007,  -0.072,  -0.041)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.822,  -6.594,   7.573)  (  4.822,  -6.594,   7.573)  ( 0.00,  0.00,  0.00)
162:     electro (  0.538,   0.061,   0.303)  (  0.538,   0.061,   0.303)  ( 0.00,  0.00,  0.00)
162: 52       (-27.923, -23.350, -51.173)  (-27.918, -23.345, -51.164)  ( 0.02,  0.02,  0.02)
162:     bond    (-31.596, -29.504, -46.330)  (-31.592, -29.500, -46.323)  ( 0.01,  0.01,  0.02)
162:     angle   (  3.410,   6.639,  -6.557)  (  3.412,   6.641,  -6.556)  ( 0.04,  0.03,  0.02)
162:     torsion ( -0.166,   0.111,   0.042)  ( -0.166,   0.111,   0.042)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.262,  -0.833,   1.812)  (  0.262,  -0.833,   1.812)  ( 0.00,  0.00,  0.00)
162:     electro (  0.167,   0.237,  -0.139)  (  0.167,   0.237,  -0.139)  ( 0.00,  0.00,  0.00)
162: 53       ( 12.631, -21.243,  -9.249)  ( 12.635, -21.226,  -9.248)  ( 0.03,  0.08,  0.01)
162:     bond    (  1.828, -15.373,   2.162)  (  1.828, -15.357,   2.162)  ( 0.01,  0.11,  0.01)
162:     angle   (  8.565,   1.417,   2.819)  (  8.568,   1.417,   2.819)  ( 0.04,  0.01,  0.02)
162:     torsion (  1.344,  -0.306,  -3.313)  (  1.344,  -0.306,  -3.312)  ( 0.01,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.500,   1.282,   1.201)  (  0.500,   1.282,   1.201)  ( 0.00,  0.00,  0.00)
162:     electro (  0.394,  -8.262, -12.118)  (  0.394,  -8.262, -12.118)  ( 0.00,  0.00,  0.00)
162: 54       (-14.784, -53.918,  -1.022)  (-14.780, -53.905,  -1.020)  ( 0.03,  0.02,  0.23)
162:     bond    (-18.551, -53.271,  -2.633)  (-18.549, -53.258,  -2.632)  ( 0.01,  0.02,  0.01)
162:     angle   (  1.160,  -0.437,   0.650)  (  1.162,  -0.437,   0.652)  ( 0.18,  0.01,  0.13)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.402,  -0.248,   0.900)  (  2.402,  -0.248,   0.900)  ( 0.00,  0.00,  0.00)
162:     electro (  0.204,   0.038,   0.061)  (  0.204,   0.038,   0.061)  ( 0.00,  0.00,  0.00)
162: 55       (-30.552,  23.822,  40.548)  (-30.546,  23.827,  40.555)  ( 0.02,  0.02,  0.02)
162:     bond    (-33.370,  29.535,  35.300)  (-33.365,  29.539,  35.305)  ( 0.02,  0.01,  0.02)
162:     angle   ( -0.150,  -6.357,   5.176)  ( -0.149,  -6.355,   5.177)  ( 0.02,  0.02,  0.03)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.225,   1.329,  -0.281)  (  2.225,   1.329,  -0.281)  ( 0.00,  0.00,  0.00)
162:     electro (  0.743,  -0.686,   0.354)  (  0.743,  -0.686,   0.354)  ( 0.00,  0.00,  0.00)
162: 56       (  4.719,  16.441, -53.633)  (  4.722,  16.445, -53.621)  ( 0.06,  0.03,  0.02)
162:     bond    ( -0.778,  22.587, -52.280)  ( -0.778,  22.589, -52.268)  ( 0.02,  0.01,  0.02)
162:     angle   (  3.260,  -6.806,  -2.990)  (  3.263,  -6.805,  -2.989)  ( 0.07,  0.02,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.444,   1.315,   1.369)  (  1.444,   1.315,   1.369)  ( 0.00,  0.00,  0.00)
162:     electro (  0.792,  -0.655,   0.268)  (  0.792,  -0.655,   0.268)  ( 0.00,  0.00,  0.00)
162: 57       ( -1.732, -47.778, -45.510)  ( -1.730, -47.767, -45.503)  ( 0.15,  0.02,  0.01)
162:     bond    (  3.795, -54.841, -38.148)  (  3.796, -54.832, -38.144)  ( 0.01,  0.02,  0.01)
162:     angle   ( -2.631,   5.826,  -8.640)  ( -2.629,   5.827,  -8.638)  ( 0.08,  0.01,  0.02)
162:     torsion (  0.589,  -0.017,   0.083)  (  0.589,  -0.017,   0.083)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.066,   1.758,   0.897)  ( -4.066,   1.758,   0.897)  ( 0.00,  0.00,  0.00)
162:     electro (  0.581,  -0.504,   0.299)  (  0.581,  -0.504,   0.299)  ( 0.00,  0.00,  0.00)
162: 58       ( 50.420,  36.227, -10.971)  ( 50.432,  36.232, -10.968)  ( 0.02,  0.01,  0.03)
162:     bond    ( 55.952,  31.133,  -6.287)  ( 55.963,  31.136,  -6.286)  ( 0.02,  0.01,  0.01)
162:     angle   ( -2.282,   2.522,  -7.819)  ( -2.282,   2.523,  -7.817)  ( 0.02,  0.07,  0.03)
162:     torsion (  0.052,  -0.097,  -0.018)  (  0.052,  -0.097,  -0.018)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.740,   3.140,   2.809)  ( -3.740,   3.140,   2.809)  ( 0.00,  0.00,  0.00)
162:     electro (  0.439,  -0.470,   0.344)  (  0.439,  -0.470,   0.344)  ( 0.00,  0.00,  0.00)
162: 59       (-56.455, -35.574,   6.114)  (-56.444, -35.569,   6.117)  ( 0.02,  0.02,  0.05)
162:     bond    (-59.090, -35.589,   6.014)  (-59.080, -35.585,   6.015)  ( 0.02,  0.01,  0.01)
162:     angle   (  1.971,  -2.844,   2.547)  (  1.971,  -2.842,   2.550)  ( 0.03,  0.05,  0.09)
162:     torsion ( -0.002,  -0.041,  -0.260)  ( -0.002,  -0.041,  -0.260)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.254,   2.953,  -2.641)  (  0.254,   2.953,  -2.641)  ( 0.00,  0.00,  0.00)
162:     electro (  0.412,  -0.053,   0.454)  (  0.412,  -0.053,   0.454)  ( 0.00,  0.00,  0.00)
162: 60       ( 50.380, -43.074,  21.150)  ( 50.389, -43.067,  21.153)  ( 0.02,  0.02,  0.02)
162:     bond    ( 52.215, -43.110,  20.266)  ( 52.222, -43.104,  20.268)  ( 0.02,  0.01,  0.01)
162:     angle   ( -0.583,  -0.346,   0.764)  ( -0.582,  -0.345,   0.766)  ( 0.05,  0.05,  0.17)
162:     torsion ( -1.138,  -1.119,   0.554)  ( -1.138,  -1.119,   0.554)  ( 0.01,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.230,   1.391,  -0.524)  ( -0.230,   1.391,  -0.524)  ( 0.00,  0.00,  0.00)
162:     electro (  0.117,   0.110,   0.090)  (  0.117,   0.110,   0.090)  ( 0.00,  0.00,  0.00)
162: 61       ( -6.760,  -9.653,  62.290)  ( -6.757,  -9.649,  62.303)  ( 0.04,  0.04,  0.02)
162:     bond    ( -5.707, -18.261,  60.173)  ( -5.707, -18.260,  60.185)  ( 0.01,  0.01,  0.02)
162:     angle   ( -2.134,   9.751,   2.757)  ( -2.132,   9.754,   2.757)  ( 0.09,  0.02,  0.01)
162:     torsion (  0.825,  -0.029,   0.070)  (  0.825,  -0.029,   0.070)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.163,  -1.019,  -0.626)  (  0.163,  -1.019,  -0.626)  ( 0.00,  0.00,  0.00)
162:     electro (  0.093,  -0.096,  -0.083)  (  0.093,  -0.096,  -0.083)  ( 0.00,  0.00,  0.00)
162: 62       ( 48.800,  36.802,  -0.913)  ( 48.811,  36.808,  -0.910)  ( 0.02,  0.02,  0.23)
162:     bond    ( 52.179,  33.691,  -4.765)  ( 52.189,  33.695,  -4.765)  ( 0.02,  0.01,  0.01)
162:     angle   ( -2.735,   5.228,   7.025)  ( -2.734,   5.229,   7.028)  ( 0.02,  0.03,  0.03)
162:     torsion ( -0.332,   0.433,  -0.571)  ( -0.332,   0.433,  -0.571)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.358,  -2.314,  -2.542)  ( -0.358,  -2.314,  -2.542)  ( 0.00,  0.00,  0.00)
162:     electro (  0.045,  -0.235,  -0.060)  (  0.045,  -0.235,  -0.060)  ( 0.00,  0.00,  0.00)
162: 63       (-44.626,  39.990,  -8.474)  (-44.617,  39.997,  -8.471)  ( 0.02,  0.02,  0.04)
162:     bond    (-46.989,  36.366, -12.293)  (-46.980,  36.371, -12.293)  ( 0.02,  0.01,  0.01)
162:     angle   (  1.890,   6.515,  12.055)  (  1.890,   6.517,  12.057)  ( 0.04,  0.02,  0.02)
162:     torsion ( -0.548,  -0.498,   0.621)  ( -0.548,  -0.498,   0.621)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.844,  -2.227,  -8.803)  (  0.844,  -2.227,  -8.803)  ( 0.00,  0.00,  0.00)
162:     electro (  0.176,  -0.165,  -0.054)  (  0.176,  -0.165,  -0.054)  ( 0.00,  0.00,  0.00)
162: ok 36 # gradients 
162: ok 37 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (217.044, -41.967,   0.965)  (217.081, -41.921,   0.968)  ( 0.02,  0.11,  0.32)
162:     bond    ( 98.283, -136.446,   0.429)  ( 98.310, -136.411,   0.430)  ( 0.03,  0.03,  0.03)
162:     angle   (108.109,  94.020,  -0.224)  (108.119,  94.030,  -0.224)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.000,   0.002,   0.769)  ( -0.000,   0.002,   0.772)  ( 0.00,  0.00,  0.21)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.972,   1.025,  -0.006)  (  6.972,   1.026,  -0.006)  ( 0.00,  0.02,  0.00)
162:     electro (  3.680,  -0.569,  -0.004)  (  3.680,  -0.569,  -0.004)  ( 0.00,  0.00,  0.00)
162:  2       (-47.166, -62.201,   0.047)  (-47.133, -62.163,   0.053)  ( 0.07,  0.06,  0.03)
162:     bond    (  2.183, -37.674,  -0.047)  (  2.207, -37.646,  -0.047)  ( 1.12,  0.07,  0.00)
162:     angle   (-48.885, -24.699,   0.210)  (-48.876, -24.689,   0.211)  ( 0.02,  0.04,  0.03)
162:     torsion ( -0.000,  -0.001,  -0.116)  ( -0.000,  -0.001,  -0.111)  ( 0.00,  0.00,  0.06)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.464,   0.172,  -0.000)  ( -0.464,   0.172,  -0.000)  ( 0.00,  0.00,  0.00)
162:  3       ( -0.007,  -0.199,  -0.169)  (  0.025,  -0.163,  -0.163)  ( 0.02,  0.71,  0.09)
162:     bond    ( -8.735,  15.518,   0.028)  ( -8.712,  15.547,   0.027)  ( 0.27,  0.18,  0.00)
162:     angle   ( 32.220, -21.912,  -0.057)  ( 32.229, -21.905,  -0.057)  ( 0.03,  0.03,  0.00)
162:     torsion ( -0.000,   0.000,  -0.167)  ( -0.000,   0.000,  -0.162)  ( 0.00,  0.00,  0.10)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-21.286,   6.216,   0.027)  (-21.286,   6.216,   0.027)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.206,  -0.021,   0.001)  ( -2.206,  -0.021,   0.001)  ( 0.00,  0.00,  0.00)
162:  4       ( 48.113,  21.924,  -0.078)  ( 48.140,  21.952,  -0.052)  ( 0.06,  0.12,  0.21)
162:     bond    (  5.579,   9.409,  -0.160)  (  5.598,   9.427,  -0.141)  ( 0.34,  0.20,  0.30)
162:     angle   ( 55.601,  17.739,  -0.020)  ( 55.610,  17.748,  -0.014)  ( 0.02,  0.05,  0.01)
162:     torsion (  0.000,  -0.000,   0.125)  (  0.000,  -0.000,   0.125)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-12.294,  -5.214,  -0.022)  (-12.294,  -5.214,  -0.022)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.773,  -0.009,  -0.001)  ( -0.773,  -0.009,  -0.001)  ( 0.00,  0.00,  0.00)
162:  5       ( 32.755, -22.139,  -0.348)  ( 32.766, -22.118,  -0.348)  ( 0.03,  0.10,  0.02)
162:     bond    ( -4.057,  -6.858,  -0.005)  ( -4.050,  -6.838,  -0.005)  ( 0.17,  0.29,  0.00)
162:     angle   ( -2.186,   1.292,  -0.127)  ( -2.183,   1.293,  -0.127)  ( 0.14,  0.08,  0.00)
162:     torsion (  0.001,  -0.000,  -0.181)  (  0.001,  -0.000,  -0.180)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 38.247,  -9.107,  -0.046)  ( 38.248,  -9.107,  -0.046)  ( 0.00,  0.00,  0.00)
162:     electro (  0.751,  -7.466,   0.010)  (  0.751,  -7.466,   0.010)  ( 0.00,  0.00,  0.00)
162:  6       (-165.539,  22.277,  -0.538)  (-165.515,  22.298,  -0.537)  ( 0.01,  0.09,  0.04)
162:     bond    (-102.426, 142.178,  -0.414)  (-102.405, 142.193,  -0.414)  ( 0.02,  0.01,  0.02)
162:     angle   (-102.464, -133.859,   0.470)  (-102.461, -133.854,   0.469)  ( 0.00,  0.00,  0.05)
162:     torsion ( -0.000,  -0.002,  -0.668)  ( -0.000,  -0.002,  -0.667)  ( 0.00,  0.00,  0.08)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 44.794,  13.953,   0.080)  ( 44.796,  13.953,   0.080)  ( 0.00,  0.00,  0.00)
162:     electro ( -5.443,   0.007,  -0.005)  ( -5.443,   0.007,  -0.005)  ( 0.00,  0.00,  0.00)
162:  7       (-20.820,  26.022,   0.060)  (-20.805,  26.025,   0.061)  ( 0.07,  0.01,  0.01)
162:     bond    (-20.292,   0.224,   0.019)  (-20.278,   0.223,   0.019)  ( 0.07,  0.00,  0.00)
162:     angle   (  0.222,  20.146,   0.024)  (  0.222,  20.149,   0.024)  ( 0.00,  0.02,  0.00)
162:     torsion (  0.000,  -0.000,   0.009)  (  0.000,  -0.000,   0.010)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.726,   5.394,   0.008)  ( -1.726,   5.394,   0.008)  ( 0.00,  0.00,  0.00)
162:     electro (  0.976,   0.259,   0.001)  (  0.976,   0.259,   0.001)  ( 0.00,  0.00,  0.00)
162:  8       (-23.697,  38.579,   0.065)  (-23.690,  38.590,   0.066)  ( 0.03,  0.03,  0.01)
162:     bond    ( 10.313,  17.407,   0.011)  ( 10.317,  17.417,   0.011)  ( 0.04,  0.06,  0.00)
162:     angle   (-17.330,  10.263,   0.028)  (-17.328,  10.264,   0.028)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.000,   0.000,  -0.005)  ( -0.000,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-19.009,  11.655,   0.032)  (-19.008,  11.656,   0.032)  ( 0.00,  0.00,  0.00)
162:     electro (  2.329,  -0.747,  -0.001)  (  2.329,  -0.747,  -0.001)  ( 0.00,  0.00,  0.00)
162:  9       (-41.100, -31.821,  -0.090)  (-41.092, -31.812,  -0.088)  ( 0.02,  0.03,  0.02)
162:     bond    (  3.583,  -4.301,  -0.008)  (  3.589,  -4.293,  -0.008)  ( 0.16,  0.19,  0.00)
162:     angle   (-11.835,  -9.893,  -0.020)  (-11.834,  -9.892,  -0.018)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-34.686, -18.266,  -0.067)  (-34.685, -18.266,  -0.067)  ( 0.00,  0.00,  0.00)
162:     electro (  1.838,   0.640,   0.005)  (  1.838,   0.640,   0.005)  ( 0.00,  0.00,  0.00)
162: 10       ( -8.246, -17.014,   1.017)  ( -8.240, -17.012,   1.027)  ( 0.07,  0.01,  0.99)
162:     bond    ( -3.280,  -0.271,   4.647)  ( -3.275,  -0.271,   4.656)  ( 0.14,  0.00,  0.20)
162:     angle   ( -5.220, -13.791,  -4.475)  ( -5.218, -13.789,  -4.474)  ( 0.03,  0.02,  0.02)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.507,  -2.830,   0.968)  ( -0.507,  -2.830,   0.968)  ( 0.00,  0.00,  0.00)
162:     electro (  0.762,  -0.121,  -0.123)  (  0.762,  -0.121,  -0.123)  ( 0.00,  0.00,  0.00)
162: 11       ( -8.139, -17.024,  -0.916)  ( -8.133, -17.022,  -0.906)  ( 0.08,  0.01,  0.92)
162:     bond    ( -3.185,  -0.252,  -4.513)  ( -3.180,  -0.252,  -4.504)  ( 0.15,  0.00,  0.21)
162:     angle   ( -5.204, -13.823,   4.447)  ( -5.203, -13.821,   4.447)  ( 0.03,  0.02,  0.02)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.510,  -2.828,  -0.973)  ( -0.510,  -2.827,  -0.973)  ( 0.00,  0.00,  0.00)
162:     electro (  0.759,  -0.122,   0.123)  (  0.759,  -0.122,   0.123)  ( 0.00,  0.00,  0.00)
162: 12       ( 16.579,  83.343,  -0.081)  ( 16.595,  83.346,  -0.081)  ( 0.09,  0.00,  0.00)
162:     bond    ( 21.865,   0.904,  -0.025)  ( 21.880,   0.904,  -0.025)  ( 0.07,  0.01,  0.00)
162:     angle   ( -3.076,  74.463,  -0.266)  ( -3.076,  74.465,  -0.267)  ( 0.00,  0.00,  0.01)
162:     torsion (  0.000,   0.001,   0.216)  (  0.000,   0.001,   0.216)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.210,   7.976,  -0.006)  ( -2.210,   7.976,  -0.006)  ( 0.00,  0.00,  0.00)
162: ok 38 # gradients 
162: 1..38
164:     angle   (  1.122,  -0.757,   2.811)  (  1.123,  -0.756,   2.813)  ( 0.09,  0.04,  0.06)
164:     strbnd  (  2.035,  -1.610,  -1.356)  (  2.035,  -1.610,  -1.356)  ( 0.01,  0.01,  0.01)
164:     torsion ( -0.226,  -0.307,   0.011)  ( -0.225,  -0.307,   0.011)  ( 0.01,  0.03,  0.00)
164:     oop     ( -0.009,  -0.013,  -0.000)  ( -0.008,  -0.010,  -0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.387,  -0.990, -13.718)  (  1.387,  -0.990, -13.718)  ( 0.00,  0.00,  0.00)
164:     electro (  0.120,   0.021,   1.244)  (  0.120,   0.021,   1.244)  ( 0.00,  0.00,  0.00)
164: 24       (  0.020,  -0.128,  -0.527)  (  0.034,  -0.112,  -0.520)  ( 0.03,  0.20,  0.37)
164:     bond    ( -7.605,   5.610,   5.554)  ( -7.601,   5.612,   5.560)  ( 0.05,  0.04,  0.10)
164:     angle   ( -1.737,   1.343,   0.082)  ( -1.736,   1.343,   0.083)  ( 0.06,  0.05,  0.01)
164:     strbnd  (  0.340,  -0.282,  -1.073)  (  0.340,  -0.282,  -1.073)  ( 0.00,  0.00,  0.02)
164:     torsion (  0.141,   0.176,   0.004)  (  0.142,   0.177,   0.004)  ( 0.01,  0.01,  0.00)
164:     oop     ( -0.055,  -0.073,  -0.001)  ( -0.046,  -0.061,  -0.001)  ( 0.05,  0.09,  0.00)
164:     vdw     (  9.119,  -7.021,  -4.701)  (  9.119,  -7.021,  -4.701)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.183,   0.118,  -0.392)  ( -0.183,   0.118,  -0.392)  ( 0.00,  0.00,  0.00)
164: 25       (  0.159,   0.213,   0.583)  (  0.143,   0.190,   0.589)  ( 0.26,  0.50,  0.38)
164:     bond    (-11.078,   8.736,  -4.694)  (-11.074,   8.738,  -4.688)  ( 0.03,  0.02,  0.12)
164:     angle   (  1.300,  -0.887,  -3.803)  (  1.301,  -0.886,  -3.801)  ( 0.08,  0.06,  0.05)
164:     strbnd  (  1.316,  -0.991,   0.244)  (  1.316,  -0.991,   0.244)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.076,  -0.091,   0.002)  ( -0.076,  -0.090,   0.002)  ( 0.00,  0.01,  0.00)
164:     oop     (  0.140,   0.179,   0.005)  (  0.119,   0.152,   0.004)  ( 0.30,  0.49,  0.00)
164:     vdw     (  8.950,  -6.944,   9.005)  (  8.950,  -6.943,   9.005)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.393,   0.211,  -0.176)  ( -0.393,   0.211,  -0.176)  ( 0.00,  0.00,  0.00)
164: 26       (  0.084,   0.183,  -0.225)  (  0.142,   0.255,  -0.217)  ( 0.48,  1.32,  0.18)
164:     bond    ( -0.944,   0.846, -18.247)  ( -0.940,   0.848, -18.243)  ( 0.30,  0.17,  0.02)
164:     angle   (  7.126,  -5.296,   3.718)  (  7.127,  -5.296,   3.720)  ( 0.01,  0.01,  0.05)
164:     strbnd  ( -7.430,   5.904,   0.945)  ( -7.430,   5.904,   0.944)  ( 0.00,  0.00,  0.05)
164:     torsion ( -0.866,  -1.152,  -0.063)  ( -0.866,  -1.152,  -0.063)  ( 0.03,  0.06,  0.00)
164:     oop     ( -0.313,  -0.407,  -0.015)  ( -0.261,  -0.338,  -0.012)  ( 1.66,  2.81,  0.00)
164:     vdw     (  3.069,  -0.873,  13.253)  (  3.069,  -0.873,  13.253)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.557,   1.161,   0.184)  ( -0.557,   1.161,   0.184)  ( 0.00,  0.00,  0.00)
164: 27       ( -0.315,  -0.428,   0.139)  ( -0.314,  -0.427,   0.141)  ( 0.05,  0.03,  0.03)
164:     bond    (  2.446,  -1.770,   2.501)  (  2.447,  -1.769,   2.503)  ( 0.06,  0.04,  0.06)
164:     angle   ( -1.543,   1.181,   2.343)  ( -1.543,   1.181,   2.344)  ( 0.01,  0.01,  0.02)
164:     strbnd  ( -1.339,   0.977,  -0.789)  ( -1.339,   0.977,  -0.789)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.988,   1.336,  -0.022)  (  0.988,   1.336,  -0.022)  ( 0.01,  0.02,  0.00)
164:     oop     (  0.002,   0.003,  -0.000)  (  0.002,   0.002,  -0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.259,  -2.708,  -3.410)  (  1.260,  -2.708,  -3.410)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.129,   0.554,  -0.484)  ( -2.129,   0.554,  -0.484)  ( 0.00,  0.00,  0.00)
164: 28       (  0.161,   0.473,  -0.074)  (  0.162,   0.473,  -0.072)  ( 0.01,  0.00,  0.01)
164:     bond    ( -1.791,   1.438,  -1.751)  ( -1.790,   1.439,  -1.750)  ( 0.08,  0.07,  0.08)
164:     angle   ( -0.694,   0.523,   1.139)  ( -0.694,   0.523,   1.139)  ( 0.01,  0.00,  0.04)
164:     strbnd  (  0.572,  -0.470,   0.906)  (  0.572,  -0.470,   0.906)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.222,   0.282,   0.005)  (  0.222,   0.283,   0.005)  ( 0.00,  0.01,  0.00)
164:     oop     (  0.006,   0.008,   0.000)  (  0.005,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.510,  -1.901,  -1.427)  (  2.510,  -1.901,  -1.427)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.665,   0.593,   1.054)  ( -0.665,   0.593,   1.054)  ( 0.00,  0.00,  0.00)
164: 29       (  0.385,   0.558,   0.067)  (  0.367,   0.535,   0.068)  ( 0.68,  1.30,  0.01)
164:     bond    (  0.302,  -0.086,  -3.852)  (  0.302,  -0.086,  -3.850)  ( 0.00,  0.00,  0.06)
164:     angle   ( -6.191,   4.765,  -0.593)  ( -6.191,   4.765,  -0.593)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  0.076,   0.015,  -2.804)  (  0.076,   0.015,  -2.804)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.648,   0.848,   0.032)  (  0.648,   0.848,   0.032)  ( 0.00,  0.01,  0.00)
164:     oop     (  0.111,   0.143,   0.005)  (  0.093,   0.120,   0.005)  ( 0.20,  0.34,  0.00)
164:     vdw     (  5.741,  -5.031,   8.170)  (  5.741,  -5.031,   8.171)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.302,  -0.096,  -0.891)  ( -0.302,  -0.096,  -0.891)  ( 0.00,  0.00,  0.00)
164: 30       ( -0.388,  -0.464,  -0.137)  ( -0.390,  -0.467,  -0.134)  ( 0.06,  0.11,  0.05)
164:     bond    ( -0.285,   0.192,   2.526)  ( -0.284,   0.192,   2.529)  ( 0.00,  0.00,  0.15)
164:     angle   (  0.191,  -0.141,   0.032)  (  0.191,  -0.141,   0.032)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( -0.092,   0.073,  -0.831)  ( -0.092,   0.073,  -0.831)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.351,  -0.466,  -0.004)  ( -0.351,  -0.466,  -0.004)  ( 0.00,  0.01,  0.00)
164:     oop     (  0.013,   0.017,   0.000)  (  0.011,   0.014,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.124,  -0.078,  -0.755)  (  0.124,  -0.078,  -0.755)  ( 0.00,  0.00,  0.00)
164:     electro (  0.011,  -0.061,  -1.105)  (  0.011,  -0.061,  -1.105)  ( 0.00,  0.00,  0.00)
164: 31       ( -0.193,   0.021,   0.101)  ( -0.196,   0.016,   0.102)  ( 0.05,  0.01,  0.01)
164:     bond    ( -1.807,   1.366,   0.917)  ( -1.805,   1.368,   0.917)  ( 0.11,  0.09,  0.05)
164:     angle   (  0.005,   0.002,   0.007)  (  0.005,   0.002,   0.008)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  0.452,  -0.351,  -0.140)  (  0.452,  -0.351,  -0.140)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.111,  -0.144,  -0.004)  ( -0.110,  -0.143,  -0.004)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.028,   0.036,   0.000)  (  0.023,   0.030,   0.000)  ( 0.01,  0.02,  0.00)
164:     vdw     (  0.558,  -0.417,  -0.304)  (  0.558,  -0.417,  -0.304)  ( 0.00,  0.00,  0.00)
164:     electro (  0.682,  -0.472,  -0.376)  (  0.682,  -0.472,  -0.376)  ( 0.00,  0.00,  0.00)
164: 32       ( -0.425,  -0.505,  -0.048)  ( -0.365,  -0.520,  -0.079)  ( 2.55,  0.73,  0.15)
164:     bond    ( -5.280,  -7.572,  -4.556)  ( -5.277,  -7.567,  -4.554)  ( 0.05,  0.06,  0.04)
164:     angle   ( -0.110,   0.279,  -0.337)  ( -0.110,   0.279,  -0.337)  ( 0.00,  0.01,  0.02)
164:     strbnd  (  1.293,   1.229,   1.466)  (  1.293,   1.229,   1.466)  ( 0.00,  0.01,  0.01)
164:     torsion (  1.739,  -0.595,  -1.027)  (  1.739,  -0.595,  -1.027)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.260,   0.090,   0.151)  ( -0.202,   0.070,   0.118)  ( 1.49,  0.18,  0.50)
164:     vdw     (  4.932,   0.142,   8.178)  (  4.933,   0.142,   8.178)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.741,   5.922,  -3.924)  ( -2.741,   5.922,  -3.924)  ( 0.00,  0.00,  0.00)
164: 33       (  0.059,   0.082,  -0.083)  (  0.093,   0.076,  -0.098)  ( 0.20,  0.05,  0.12)
164:     bond    (  4.715,   4.557,   6.062)  (  4.716,   4.560,   6.065)  ( 0.02,  0.07,  0.06)
164:     angle   ( -7.689, -18.240,  -5.025)  ( -7.688, -18.238,  -5.024)  ( 0.01,  0.01,  0.01)
164:     strbnd  (  3.295,  -2.419,   7.181)  (  3.295,  -2.419,   7.181)  ( 0.00,  0.01,  0.00)
164:     torsion ( -1.716,   0.412,   0.834)  ( -1.716,   0.412,   0.834)  ( 0.01,  0.00,  0.00)
164:     oop     ( -0.210,   0.072,   0.121)  ( -0.178,   0.061,   0.103)  ( 0.68,  0.08,  0.23)
164:     vdw     (  1.937,  10.751,  -6.247)  (  1.938,  10.752,  -6.247)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.274,   4.948,  -3.009)  ( -0.274,   4.948,  -3.009)  ( 0.00,  0.00,  0.00)
164: 34       (  0.389,   0.093,   0.080)  (  0.395,   0.098,   0.086)  ( 0.24,  0.05,  0.05)
164:     bond    ( -0.334,  -4.761,   2.356)  ( -0.329,  -4.757,   2.361)  ( 0.15,  0.10,  0.19)
164:     angle   (  0.189,   3.946,   0.226)  (  0.190,   3.948,   0.228)  ( 0.03,  0.05,  0.04)
164:     strbnd  (  0.552,   0.973,   0.402)  (  0.551,   0.972,   0.402)  ( 0.02,  0.16,  0.02)
164:     torsion (  1.469,  -0.111,  -0.152)  (  1.469,  -0.111,  -0.152)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.779,   1.527,  -7.078)  ( -3.779,   1.527,  -7.078)  ( 0.00,  0.00,  0.00)
164:     electro (  2.292,  -1.482,   4.326)  (  2.292,  -1.482,   4.326)  ( 0.00,  0.00,  0.00)
164: 35       (  0.303,   0.212,   0.053)  (  0.304,   0.213,   0.055)  ( 0.04,  0.01,  0.01)
164:     bond    (  0.249,   0.013,   0.448)  (  0.250,   0.013,   0.451)  ( 0.02,  0.00,  0.12)
164:     angle   (  0.291,   0.661,  -0.181)  (  0.291,   0.662,  -0.181)  ( 0.01,  0.04,  0.00)
164:     strbnd  ( -0.215,  -0.451,  -0.159)  ( -0.215,  -0.451,  -0.159)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.017,  -0.004,  -0.009)  (  0.017,  -0.004,  -0.009)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.039,  -0.007,  -0.046)  ( -0.039,  -0.007,  -0.046)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 36       (  0.432,   0.172,   0.118)  (  0.434,   0.174,   0.120)  ( 0.05,  0.03,  0.02)
164:     bond    (  0.425,  -0.592,  -0.547)  (  0.425,  -0.590,  -0.545)  ( 0.03,  0.08,  0.07)
164:     angle   (  1.840,  -0.935,   2.446)  (  1.841,  -0.935,   2.446)  ( 0.02,  0.03,  0.01)
164:     strbnd  (  0.155,  -0.679,  -0.026)  (  0.155,  -0.679,  -0.026)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.272,  -0.056,  -0.151)  ( -0.272,  -0.056,  -0.151)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.715,   2.434,  -1.604)  ( -1.715,   2.434,  -1.604)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 37       (  0.355,  -0.026,   0.062)  (  0.358,  -0.025,   0.062)  ( 0.11,  0.00,  0.00)
164:     bond    ( -0.517,  -0.155,   0.092)  ( -0.514,  -0.155,   0.092)  ( 0.16,  0.00,  0.00)
164:     angle   (  0.968,  -1.352,   3.151)  (  0.969,  -1.351,   3.152)  ( 0.01,  0.04,  0.01)
164:     strbnd  ( -0.412,  -0.566,   0.270)  ( -0.412,  -0.566,   0.270)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.011,  -0.098,  -0.229)  ( -0.011,  -0.098,  -0.229)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.326,   2.145,  -3.222)  (  0.326,   2.145,  -3.222)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: ok 26 # gradients 
164: ok 27 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
164:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
164:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
164:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
164:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
164:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
164:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
164:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
164:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
164:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
164:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
164:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
164:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
164:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
164:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
164:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
164:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
164:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
164:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
164:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
164:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
164:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
164:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
164:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
164:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
164:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
164:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
164:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
164:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
164:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
164:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
164:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
164:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
164:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
164:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
164:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
164:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
164:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
164:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
164:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
164:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
164:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
164:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
164:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
164:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
164:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
164:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
164:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
164:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
164:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
164:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
164:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
164:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
164:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
164:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
164:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
164:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
164:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
164:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
164:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
164:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
164:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
164:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
164: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
164:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
164:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
164:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
164:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
164:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
164: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
164:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
164:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
164:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
164:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
164:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
164:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
164: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
164:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
164:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
164:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
164:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
164:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
164:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
164: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
164:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
164:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
164:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
164:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
164: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
164:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
164:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
164:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
164:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
164: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
164:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
164:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
164:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
164:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
164:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
164:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
164: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
164:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
164:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
164:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
164:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
164:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
164: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
164:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
164:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
164:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
164:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
164:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
164: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
164:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
164:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
164:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
164:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
164:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
164: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
164:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
164:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
164:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
164:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
164:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
164:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
164: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
164:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
164:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
164:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
164:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
164:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
164:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
164: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
164:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
164:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
164:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
164:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
164:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
164:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
164: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
164:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
164:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
164:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
164:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
164:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
164: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
164:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
164:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
164:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
164:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
164: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
164:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
164:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
164:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
164:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
164:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
164:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
164:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
164:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
164:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
164:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
164:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
164:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
164:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
164:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
164:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
164:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
164:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
164:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
164:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
164:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
164:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
164:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
164:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
164:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
164:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
164:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
164:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
164:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
164:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
164:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
164:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
164:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
164:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
164:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
164:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
164:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
164: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
164:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
164:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
164:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
164:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
164: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
164:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
164:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
164:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
164: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
164:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
164:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
164:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
164: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
164:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
164:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
164:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
164:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
164:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
164: ok 28 # gradients 
164: ok 29 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
164:  1       (-37.071, -81.376,  -8.715)  (-37.065, -81.370,  -8.711)  ( 0.01,  0.01,  0.06)
164:     bond    ( -6.927,  -6.224,   0.204)  ( -6.923,  -6.219,   0.208)  ( 0.06,  0.08,  0.07)
164:     angle   (-43.402, -92.594,  -5.039)  (-43.401, -92.592,  -5.037)  ( 0.00,  0.00,  0.03)
164:     strbnd  ( 17.017,  19.808,  -1.013)  ( 17.017,  19.807,  -1.014)  ( 0.00,  0.00,  0.03)
164:     torsion ( -0.140,   0.089,  -0.286)  ( -0.140,   0.089,  -0.286)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.619,  -2.454,  -2.581)  ( -3.619,  -2.454,  -2.581)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  2       (-39.440,   2.545,  50.699)  (-39.434,   2.550,  50.705)  ( 0.01,  0.18,  0.01)
164:     bond    (  2.221,   0.743,  -4.295)  (  2.225,   0.746,  -4.291)  ( 0.19,  0.23,  0.10)
164:     angle   (-30.186,   6.101,  43.460)  (-30.184,   6.103,  43.462)  ( 0.01,  0.03,  0.00)
164:     strbnd  ( -8.549,  -6.318,  14.014)  ( -8.550,  -6.318,  14.014)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.634,  -0.131,  -0.999)  ( -0.634,  -0.131,  -0.999)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.292,   2.150,  -1.482)  ( -2.292,   2.150,  -1.482)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  3       ( -1.587,  40.280, -47.662)  ( -1.722,  39.405, -48.005)  ( 8.54,  2.17,  0.72)
164:     bond    ( -0.509,   0.513,  -6.367)  ( -0.504,   0.517,  -6.364)  ( 0.25,  0.20,  0.05)
164:     angle   ( 13.510,  14.854, -42.989)  ( 13.512,  14.856, -42.987)  ( 0.01,  0.01,  0.00)
164:     strbnd  (-14.490,   2.857,  -6.469)  (-14.491,   2.857,  -6.469)  ( 0.01,  0.01,  0.01)
164:     torsion (  0.820,  13.476,   6.086)  (  0.820,  13.476,   6.086)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.965,   7.596,   5.726)  ( -1.106,   6.716,   5.379)  (13.62, 11.59,  6.06)
164:     vdw     (  0.470,   0.645,  -3.276)  (  0.471,   0.645,  -3.276)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.424,   0.339,  -0.373)  ( -0.424,   0.339,  -0.373)  ( 0.00,  0.00,  0.00)
164:  4       ( -3.751,  47.995,  62.741)  ( -3.746,  48.001,  62.747)  ( 0.14,  0.01,  0.01)
164:     bond    ( -1.086,   2.486,   9.511)  ( -1.082,   2.490,   9.516)  ( 0.33,  0.17,  0.05)
164:     angle   ( -4.863,  51.765,  70.840)  ( -4.861,  51.767,  70.842)  ( 0.04,  0.00,  0.00)
164:     strbnd  (  4.026, -10.734, -19.678)  (  4.025, -10.735, -19.679)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.144,   0.700,  -0.367)  (  0.144,   0.700,  -0.367)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.972,   3.779,   2.435)  ( -1.972,   3.779,   2.435)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  5       (-38.271, -131.602, -55.190)  (-37.474, -129.364, -53.224)  ( 2.08,  1.70,  3.56)
164:     bond    (  8.677, -20.361, -12.122)  (  8.681, -20.358, -12.120)  ( 0.05,  0.02,  0.02)
164:     angle   (-36.816, -71.485,  11.280)  (-36.815, -71.484,  11.281)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( 12.873,  -5.181,   7.752)  ( 12.873,  -5.181,   7.752)  ( 0.00,  0.00,  0.01)
164:     torsion (-12.225, -29.725, -36.119)  (-12.225, -29.725, -36.119)  ( 0.00,  0.00,  0.00)
164:     oop     ( -5.173, -18.341, -24.805)  ( -4.382, -16.108, -22.842)  (15.29, 12.17,  7.91)
164:     vdw     ( -5.982,  13.988,  -1.401)  ( -5.982,  13.988,  -1.401)  ( 0.00,  0.00,  0.00)
164:     electro (  0.375,  -0.497,   0.224)  (  0.375,  -0.497,   0.224)  ( 0.00,  0.00,  0.00)
164:  6       ( 59.513,  60.458,  25.145)  ( 58.727,  59.176,  24.316)  ( 1.32,  2.12,  3.30)
164:     bond    ( -6.489, -13.464,  18.197)  ( -6.484, -13.459,  18.199)  ( 0.07,  0.03,  0.01)
164:     angle   ( 37.474,  50.266, -17.881)  ( 37.475,  50.267, -17.880)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( -3.586,  -8.839,   8.084)  ( -3.586,  -8.840,   8.084)  ( 0.01,  0.00,  0.00)
164:     torsion ( 14.651,  15.387,  15.614)  ( 14.652,  15.387,  15.614)  ( 0.00,  0.00,  0.00)
164:     oop     (  6.902,   8.223,   9.114)  (  6.110,   6.936,   8.282)  (11.47, 15.66,  9.13)
164:     vdw     ( 10.851,   9.567,  -8.214)  ( 10.851,   9.567,  -8.214)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.290,  -0.682,   0.230)  ( -0.290,  -0.682,   0.230)  ( 0.00,  0.00,  0.00)
164:  7       (-98.956, -30.139,   2.983)  (-97.624, -30.391,   3.584)  ( 1.35,  0.84, 20.16)
164:     bond    (-36.725,  -4.863,   0.794)  (-36.719,  -4.859,   0.795)  ( 0.01,  0.08,  0.10)
164:     angle   (-40.863, -11.120,  -0.055)  (-40.862, -11.119,  -0.054)  ( 0.00,  0.01,  0.00)
164:     strbnd  (-15.761, -19.921,  -0.231)  (-15.761, -19.921,  -0.231)  ( 0.00,  0.00,  0.00)
164:     torsion (-16.151,  -0.989,   6.996)  (-16.151,  -0.989,   6.996)  ( 0.00,  0.00,  0.01)
164:     oop     ( -6.016,   1.821,   0.042)  ( -4.691,   1.564,   0.642)  (22.03, 14.13,  2.51)
164:     vdw     ( 17.210,   4.832,  -4.353)  ( 17.210,   4.832,  -4.353)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.650,   0.102,  -0.210)  ( -0.650,   0.102,  -0.210)  ( 0.00,  0.00,  0.00)
164:  8       ( 42.185, -29.144,  98.083)  ( 40.890, -28.721,  95.733)  ( 3.07,  1.45,  2.40)
164:     bond    (  0.216,  13.908,  14.316)  (  0.219,  13.913,  14.318)  ( 0.06,  0.04,  0.01)
164:     angle   ( 11.911, -57.274,  71.476)  ( 11.912, -57.273,  71.477)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( 12.084,  27.937,   5.019)  ( 12.083,  27.936,   5.019)  ( 0.00,  0.00,  0.00)
164:     torsion (  3.830,   0.035,  -3.860)  (  3.830,   0.035,  -3.861)  ( 0.00,  0.00,  0.00)
164:     oop     (  8.502,  -2.885,  10.470)  (  7.204,  -2.469,   8.117)  (15.27, 14.44, 22.47)
164:     vdw     (  7.198, -12.680,   2.190)  (  7.198, -12.679,   2.190)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.556,   1.815,  -1.528)  ( -1.556,   1.815,  -1.528)  ( 0.00,  0.00,  0.00)
164:  9       ( 32.579,  54.117, -119.425)  ( 31.952,  53.028, -118.703)  ( 1.92,  2.01,  0.60)
164:     bond    ( 10.817,   9.746, -28.895)  ( 10.820,   9.748, -28.889)  ( 0.03,  0.02,  0.02)
164:     angle   ( 35.048,  51.699, -72.855)  ( 35.049,  51.701, -72.854)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  0.568,  -4.532,  -8.148)  (  0.567,  -4.532,  -8.148)  ( 0.01,  0.00,  0.00)
164:     torsion ( -4.728,  -6.617, -17.279)  ( -4.728,  -6.618, -17.279)  ( 0.00,  0.01,  0.00)
164:     oop     (  1.204,   5.714,  -4.530)  (  0.573,   4.622,  -3.815)  (52.37, 19.12, 15.77)
164:     vdw     (-10.056,  -2.512,  13.221)  (-10.056,  -2.512,  13.222)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.274,   0.620,  -0.940)  ( -0.274,   0.620,  -0.940)  ( 0.00,  0.00,  0.00)
164: 10       ( -2.422, -19.944, 132.061)  ( -2.392, -20.229, 130.455)  ( 1.24,  1.43,  1.22)
164:     bond    ( 18.269,   6.335,   0.967)  ( 18.273,   6.339,   0.970)  ( 0.02,  0.07,  0.23)
164:     angle   (-27.608, -36.500,  84.948)  (-27.607, -36.499,  84.949)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( 12.909,   2.314,  -3.833)  ( 12.909,   2.313,  -3.833)  ( 0.00,  0.02,  0.00)
164:     torsion (  5.991,   6.815,  25.602)  (  5.992,   6.815,  25.602)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.582,   4.956,  14.815)  (  0.605,   4.666,  13.205)  ( 1.37,  5.85, 10.86)
164:     vdw     (-13.143,  -3.558,   9.953)  (-13.143,  -3.558,   9.953)  ( 0.00,  0.00,  0.00)
164:     electro (  0.579,  -0.306,  -0.390)  (  0.579,  -0.306,  -0.390)  ( 0.00,  0.00,  0.00)
164: 11       ( 47.658, -22.934, -63.453)  ( 37.369, -23.638, -54.855)  (21.59,  3.07, 13.55)
164:     bond    (-11.073,   2.546,  -4.952)  (-11.069,   2.550,  -4.949)  ( 0.04,  0.18,  0.08)
164:     angle   ( 14.987, -10.150, -58.721)  ( 14.989, -10.148, -58.720)  ( 0.01,  0.02,  0.00)
164:     strbnd  ( 17.268, -10.877,  11.808)  ( 17.267, -10.878,  11.807)  ( 0.00,  0.01,  0.01)
164:     torsion (  6.129,   3.198,  15.790)  (  6.129,   3.198,  15.790)  ( 0.00,  0.00,  0.00)
164:     oop     ( 18.909,  -6.132, -23.821)  (  8.614,  -6.841, -15.228)  (54.44, 11.57, 36.07)
164:     vdw     (  1.389,  -2.494,  -1.281)  (  1.389,  -2.494,  -1.281)  ( 0.00,  0.00,  0.00)
164:     electro (  0.050,   0.975,  -2.276)  (  0.050,   0.975,  -2.276)  ( 0.00,  0.00,  0.00)
164: 12       ( 31.693, -14.126, -65.659)  ( 31.699, -14.121, -65.654)  ( 0.02,  0.04,  0.01)
164:     bond    (  4.025,  -3.189,  -9.311)  (  4.029,  -3.185,  -9.307)  ( 0.10,  0.12,  0.05)
164:     angle   ( 35.137, -10.001, -64.710)  ( 35.139, -10.000, -64.708)  ( 0.01,  0.02,  0.00)
164:     strbnd  ( -5.006,   4.101,  11.332)  ( -5.006,   4.101,  11.331)  ( 0.01,  0.01,  0.01)
164:     torsion ( -2.865,  -1.801,  -0.962)  ( -2.865,  -1.801,  -0.962)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.401,  -3.237,  -2.009)  (  0.401,  -3.237,  -2.009)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 13       (-44.560, -77.865, 136.018)  (-23.829, -75.824, 121.163)  (46.52,  2.62, 10.92)
164:     bond    ( -2.460,   4.359,  -8.933)  ( -2.456,   4.363,  -8.924)  ( 0.18,  0.08,  0.10)
164:     angle   ( 29.524, -109.944, 134.355)  ( 29.525, -109.943, 134.355)  ( 0.00,  0.00,  0.00)
164:     strbnd  (-14.951,  10.444, -24.236)  (-14.952,  10.444, -24.237)  ( 0.01,  0.01,  0.01)
164:     torsion (  1.176,  -3.022,  -8.395)  (  1.176,  -3.022,  -8.396)  ( 0.06,  0.00,  0.01)
164:     oop     (-59.918,  23.973,  41.115)  (-39.191,  26.010,  26.252)  (34.59,  8.49, 36.15)
164:     vdw     (  2.638,  -3.488,   3.777)  (  2.638,  -3.488,   3.777)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.568,  -0.188,  -1.665)  ( -0.568,  -0.188,  -1.665)  ( 0.00,  0.00,  0.00)
164: 14       (-73.793,  -5.351, -43.764)  (-74.002,  -4.993, -43.416)  ( 0.28,  6.69,  0.79)
164:     bond    (  2.608,   8.877,  -3.192)  (  2.609,   8.883,  -3.190)  ( 0.05,  0.08,  0.06)
164:     angle   (-96.717,  12.033, -55.420)  (-96.718,  12.033, -55.421)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( -4.852, -11.840,   5.276)  ( -4.852, -11.840,   5.276)  ( 0.00,  0.00,  0.00)
164:     torsion ( 10.732,   0.866,  11.025)  ( 10.727,   0.866,  11.022)  ( 0.04,  0.00,  0.03)
164:     oop     ( 12.415, -11.706,  -6.666)  ( 12.210, -11.356,  -6.316)  ( 1.65,  3.00,  5.26)
164:     vdw     (  1.533,  -1.793,   3.152)  (  1.533,  -1.793,   3.152)  ( 0.00,  0.00,  0.00)
164:     electro (  0.489,  -1.787,   2.061)  (  0.489,  -1.787,   2.061)  ( 0.00,  0.00,  0.00)
164: 15       ( 69.217, 103.058, -57.300)  ( 59.276, 101.483, -50.491)  (14.36,  1.53, 11.88)
164:     bond    (  2.268,   0.918,   3.526)  (  2.270,   0.919,   3.532)  ( 0.12,  0.04,  0.18)
164:     angle   ( 44.112, 114.284, -58.082)  ( 44.112, 114.285, -58.082)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  4.938,   2.167,   7.080)  (  4.938,   2.167,   7.080)  ( 0.01,  0.01,  0.00)
164:     torsion ( -3.970,   1.783,   2.088)  ( -3.970,   1.783,   2.088)  ( 0.00,  0.00,  0.00)
164:     oop     ( 25.969,  -6.898, -14.899)  ( 16.024,  -8.474,  -8.097)  (38.29, 22.85, 45.66)
164:     vdw     (  0.595,  -0.501,   0.672)  (  0.595,  -0.501,   0.672)  ( 0.00,  0.00,  0.00)
164:     electro ( -4.694,  -8.696,   2.316)  ( -4.694,  -8.696,   2.316)  ( 0.00,  0.00,  0.00)
164: 16       ( 10.862,  32.599,  -5.193)  ( 10.865,  32.600,  -5.193)  ( 0.03,  0.00,  0.01)
164:     bond    ( 12.564,  -2.116,  -0.282)  ( 12.567,  -2.116,  -0.282)  ( 0.02,  0.01,  0.00)
164:     angle   (  5.837,  35.355,  -5.146)  (  5.837,  35.356,  -5.145)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( -6.059,   0.924,   0.108)  ( -6.059,   0.924,   0.108)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.025,   0.048,   0.772)  (  0.025,   0.048,   0.772)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.506,  -1.612,  -0.646)  ( -1.506,  -1.612,  -0.646)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 17       ( 23.103,  21.401, -13.776)  ( 23.104,  21.402, -13.774)  ( 0.00,  0.01,  0.01)
164:     bond    (  0.013,   7.722,   8.189)  (  0.013,   7.723,   8.191)  ( 0.00,  0.02,  0.02)
164:     angle   ( 23.319,  18.754, -17.721)  ( 23.319,  18.754, -17.721)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( -0.112,  -4.214,  -4.433)  ( -0.112,  -4.214,  -4.433)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.254,  -0.191,   0.179)  (  0.254,  -0.191,   0.179)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.370,  -0.670,   0.010)  ( -0.370,  -0.670,   0.010)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 18       ( 33.905,  23.432,  15.855)  ( 33.905,  23.433,  15.857)  ( 0.00,  0.01,  0.01)
164:     bond    (  0.412,   8.070,  -8.784)  (  0.412,   8.072,  -8.782)  ( 0.00,  0.02,  0.02)
164:     angle   ( 35.086,  20.894,  20.850)  ( 35.086,  20.894,  20.850)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( -0.271,  -3.980,   4.289)  ( -0.271,  -3.980,   4.289)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.050,  -0.044,  -0.038)  (  0.050,  -0.044,  -0.038)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.372,  -1.509,  -0.461)  ( -1.372,  -1.509,  -0.461)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 19       (  7.842,  13.549,  15.910)  (  7.843,  13.550,  15.912)  ( 0.01,  0.01,  0.01)
164:     bond    (  4.298,  -5.557,  10.878)  (  4.298,  -5.556,  10.880)  ( 0.01,  0.01,  0.02)
164:     angle   (  5.140,  17.037,   6.669)  (  5.140,  17.038,   6.669)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( -0.222,   0.518,  -1.052)  ( -0.222,   0.518,  -1.052)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.333,  -0.021,  -0.143)  (  0.333,  -0.021,  -0.143)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.708,   1.572,  -0.443)  ( -1.707,   1.572,  -0.443)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 20       ( 24.224,   9.746,   3.735)  ( 24.225,   9.747,   3.737)  ( 0.00,  0.01,  0.06)
164:     bond    (  0.205,   8.145,  12.537)  (  0.205,   8.145,  12.539)  ( 0.00,  0.01,  0.02)
164:     angle   ( 25.409,   2.588,  -2.097)  ( 25.410,   2.588,  -2.096)  ( 0.00,  0.01,  0.01)
164:     strbnd  ( -0.027,  -1.112,  -1.794)  ( -0.027,  -1.112,  -1.794)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.559,  -0.957,   0.631)  ( -0.559,  -0.957,   0.631)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.804,   1.083,  -5.542)  ( -0.804,   1.083,  -5.542)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 21       (-14.013,  -5.680, -13.049)  (-14.012,  -5.678, -13.048)  ( 0.01,  0.05,  0.00)
164:     bond    ( -4.768, -11.721,   2.019)  ( -4.767, -11.719,   2.019)  ( 0.01,  0.02,  0.01)
164:     angle   ( -9.742,   1.595, -13.739)  ( -9.741,   1.596, -13.738)  ( 0.01,  0.01,  0.00)
164:     strbnd  (  0.618,   1.701,  -0.398)  (  0.618,   1.701,  -0.398)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.143,   0.073,   0.763)  (  0.143,   0.073,   0.763)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.264,   2.671,  -1.694)  ( -0.263,   2.671,  -1.694)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 22       (-11.466, -17.731, -34.136)  (-11.464, -17.730, -34.135)  ( 0.02,  0.00,  0.00)
164:     bond    ( 10.515,  -3.031,  -3.787)  ( 10.517,  -3.031,  -3.787)  ( 0.02,  0.01,  0.01)
164:     angle   (-17.099, -17.314, -33.631)  (-17.099, -17.314, -33.630)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( -4.687,   1.352,   1.833)  ( -4.687,   1.352,   1.833)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.036,  -0.401,   0.221)  ( -0.036,  -0.401,   0.221)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.159,   1.663,   1.228)  ( -0.159,   1.663,   1.228)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 23       (  9.654, -14.702, -18.379)  (  9.655, -14.701, -18.377)  ( 0.01,  0.01,  0.01)
164:     bond    ( -3.691,   5.903, -11.062)  ( -3.691,   5.904, -11.060)  ( 0.01,  0.01,  0.02)
164:     angle   ( 12.954, -19.869, -14.929)  ( 12.955, -19.869, -14.929)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  1.489,  -2.332,   4.677)  (  1.489,  -2.332,   4.677)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.247,  -0.126,   0.015)  ( -0.247,  -0.126,   0.015)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.851,   1.721,   2.920)  ( -0.851,   1.721,   2.920)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 24       ( 14.540,  -7.004, -26.289)  ( 14.541,  -7.001, -26.288)  ( 0.01,  0.04,  0.00)
164:     bond    ( -4.182,  -9.280,  -1.526)  ( -4.182,  -9.277,  -1.526)  ( 0.01,  0.03,  0.01)
164:     angle   ( 17.244,  -3.364, -26.810)  ( 17.244,  -3.364, -26.810)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  2.112,   4.668,   0.929)  (  2.112,   4.668,   0.929)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.199,  -0.107,   0.107)  (  0.199,  -0.107,   0.107)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.832,   1.079,   1.011)  ( -0.832,   1.079,   1.011)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 25       ( -2.146,  11.421,  -4.557)  ( -2.080,  11.484,  -4.381)  ( 3.09,  0.55,  3.87)
164:     bond    ( -0.517,  -0.905,   0.501)  ( -0.517,  -0.903,   0.502)  ( 0.04,  0.21,  0.04)
164:     angle   ( -5.394,   1.536,  -2.786)  ( -5.394,   1.537,  -2.786)  ( 0.01,  0.01,  0.00)
164:     strbnd  (  4.247,   7.387,  -3.525)  (  4.247,   7.387,  -3.525)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.245,   2.897,   3.928)  ( -1.245,   2.897,   3.928)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.602,  -0.657,  -1.800)  ( -0.537,  -0.596,  -1.625)  ( 3.91,  3.97,  9.75)
164:     vdw     (  1.342,   0.777,  -0.631)  (  1.342,   0.777,  -0.631)  ( 0.00,  0.00,  0.00)
164:     electro (  0.023,   0.386,  -0.243)  (  0.023,   0.386,  -0.243)  ( 0.00,  0.00,  0.00)
164: 26       (  8.264,  -9.314, -14.985)  (  7.913,  -9.070, -14.378)  ( 4.25,  2.62,  4.05)
164:     bond    (  0.510,   0.130,   0.247)  (  0.513,   0.130,   0.248)  ( 0.15,  0.00,  0.02)
164:     angle   ( -0.687,  -4.473,   3.772)  ( -0.687,  -4.472,   3.772)  ( 0.00,  0.01,  0.00)
164:     strbnd  ( -3.764,  -0.803,  -0.766)  ( -3.764,  -0.803,  -0.766)  ( 0.00,  0.00,  0.01)
164:     torsion (  8.777,  -3.424, -16.387)  (  8.777,  -3.424, -16.387)  ( 0.00,  0.00,  0.00)
164:     oop     (  1.606,  -0.922,  -2.844)  (  1.252,  -0.679,  -2.237)  (22.07, 22.40, 21.34)
164:     vdw     (  1.106,  -0.058,   0.139)  (  1.106,  -0.058,   0.139)  ( 0.00,  0.00,  0.00)
164:     electro (  0.715,   0.236,   0.855)  (  0.715,   0.236,   0.855)  ( 0.00,  0.00,  0.00)
164: 27       ( -9.529,  -0.985,   0.936)  ( -8.994,  -0.277,   0.839)  ( 5.61, 69.82,  9.15)
164:     bond    ( -0.257,   0.039,  -1.081)  ( -0.257,   0.039,  -1.078)  ( 0.01,  0.00,  0.33)
164:     angle   ( -2.751,   5.638,   0.859)  ( -2.751,   5.638,   0.859)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( -0.092,   0.684,  -4.568)  ( -0.092,   0.685,  -4.568)  ( 0.00,  0.00,  0.00)
164:     torsion ( -4.710,  -4.641,   0.953)  ( -4.710,  -4.641,   0.953)  ( 0.00,  0.00,  0.00)
164:     oop     ( -2.117,  -3.288,   0.385)  ( -1.584,  -2.580,   0.284)  (25.20, 21.55,  3.90)
164:     vdw     ( -0.554,   0.339,   2.803)  ( -0.554,   0.339,   2.803)  ( 0.00,  0.00,  0.00)
164:     electro (  0.953,   0.243,   1.585)  (  0.953,   0.243,   1.585)  ( 0.00,  0.00,  0.00)
164: 28       (-35.688,  35.118, -12.756)  (-35.489,  35.165, -12.454)  ( 0.56,  0.13,  2.37)
164:     bond    ( -0.608,  -0.110,   0.410)  ( -0.606,  -0.110,   0.411)  ( 0.16,  0.00,  0.05)
164:     angle   (-20.084,  33.989, -20.477)  (-20.083,  33.989, -20.477)  ( 0.00,  0.00,  0.00)
164:     strbnd  (-11.144,  -1.712,   8.116)  (-11.144,  -1.712,   8.116)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.403,   5.730,  -0.531)  ( -1.403,   5.730,  -0.531)  ( 0.00,  0.00,  0.00)
164:     oop     ( -1.298,  -1.456,  -2.303)  ( -1.102,  -1.410,  -2.002)  (15.09,  3.14, 13.07)
164:     vdw     ( -0.679,  -1.424,   2.000)  ( -0.679,  -1.424,   2.000)  ( 0.00,  0.00,  0.00)
166:     angle   (  1.122,  -0.757,   2.811)  (  1.123,  -0.756,   2.813)  ( 0.09,  0.04,  0.06)
166:     strbnd  (  2.035,  -1.610,  -1.356)  (  2.035,  -1.610,  -1.356)  ( 0.01,  0.01,  0.01)
166:     torsion ( -0.226,  -0.307,   0.011)  ( -0.225,  -0.307,   0.011)  ( 0.01,  0.03,  0.00)
166:     oop     ( -0.009,  -0.013,  -0.000)  ( -0.008,  -0.010,  -0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.387,  -0.990, -13.718)  (  1.387,  -0.990, -13.718)  ( 0.00,  0.00,  0.00)
166:     electro (  0.120,   0.021,   1.244)  (  0.120,   0.021,   1.244)  ( 0.00,  0.00,  0.00)
166: 24       (  0.020,  -0.128,  -0.527)  (  0.034,  -0.112,  -0.520)  ( 0.03,  0.20,  0.37)
166:     bond    ( -7.605,   5.610,   5.554)  ( -7.601,   5.612,   5.560)  ( 0.05,  0.04,  0.10)
166:     angle   ( -1.737,   1.343,   0.082)  ( -1.736,   1.343,   0.083)  ( 0.06,  0.05,  0.01)
166:     strbnd  (  0.340,  -0.282,  -1.073)  (  0.340,  -0.282,  -1.073)  ( 0.00,  0.00,  0.02)
166:     torsion (  0.141,   0.176,   0.004)  (  0.142,   0.177,   0.004)  ( 0.01,  0.01,  0.00)
166:     oop     ( -0.055,  -0.073,  -0.001)  ( -0.046,  -0.061,  -0.001)  ( 0.05,  0.09,  0.00)
166:     vdw     (  9.119,  -7.021,  -4.701)  (  9.119,  -7.021,  -4.701)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.183,   0.118,  -0.392)  ( -0.183,   0.118,  -0.392)  ( 0.00,  0.00,  0.00)
166: 25       (  0.159,   0.213,   0.583)  (  0.143,   0.190,   0.589)  ( 0.26,  0.50,  0.38)
166:     bond    (-11.078,   8.736,  -4.694)  (-11.074,   8.738,  -4.688)  ( 0.03,  0.02,  0.12)
166:     angle   (  1.300,  -0.887,  -3.803)  (  1.301,  -0.886,  -3.801)  ( 0.08,  0.06,  0.05)
166:     strbnd  (  1.316,  -0.991,   0.244)  (  1.316,  -0.991,   0.244)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.076,  -0.091,   0.002)  ( -0.076,  -0.090,   0.002)  ( 0.00,  0.01,  0.00)
166:     oop     (  0.140,   0.179,   0.005)  (  0.119,   0.152,   0.004)  ( 0.30,  0.49,  0.00)
166:     vdw     (  8.950,  -6.944,   9.005)  (  8.950,  -6.943,   9.005)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.393,   0.211,  -0.176)  ( -0.393,   0.211,  -0.176)  ( 0.00,  0.00,  0.00)
166: 26       (  0.084,   0.183,  -0.225)  (  0.142,   0.255,  -0.217)  ( 0.48,  1.32,  0.18)
166:     bond    ( -0.944,   0.846, -18.247)  ( -0.940,   0.848, -18.243)  ( 0.30,  0.17,  0.02)
166:     angle   (  7.126,  -5.296,   3.718)  (  7.127,  -5.296,   3.720)  ( 0.01,  0.01,  0.05)
166:     strbnd  ( -7.430,   5.904,   0.945)  ( -7.430,   5.904,   0.944)  ( 0.00,  0.00,  0.05)
166:     torsion ( -0.866,  -1.152,  -0.063)  ( -0.866,  -1.152,  -0.063)  ( 0.03,  0.06,  0.00)
166:     oop     ( -0.313,  -0.407,  -0.015)  ( -0.261,  -0.338,  -0.012)  ( 1.66,  2.81,  0.00)
166:     vdw     (  3.069,  -0.873,  13.253)  (  3.069,  -0.873,  13.253)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.557,   1.161,   0.184)  ( -0.557,   1.161,   0.184)  ( 0.00,  0.00,  0.00)
166: 27       ( -0.315,  -0.428,   0.139)  ( -0.314,  -0.427,   0.141)  ( 0.05,  0.03,  0.03)
166:     bond    (  2.446,  -1.770,   2.501)  (  2.447,  -1.769,   2.503)  ( 0.06,  0.04,  0.06)
166:     angle   ( -1.543,   1.181,   2.343)  ( -1.543,   1.181,   2.344)  ( 0.01,  0.01,  0.02)
166:     strbnd  ( -1.339,   0.977,  -0.789)  ( -1.339,   0.977,  -0.789)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.988,   1.336,  -0.022)  (  0.988,   1.336,  -0.022)  ( 0.01,  0.02,  0.00)
166:     oop     (  0.002,   0.003,  -0.000)  (  0.002,   0.002,  -0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.259,  -2.708,  -3.410)  (  1.260,  -2.708,  -3.410)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.129,   0.554,  -0.484)  ( -2.129,   0.554,  -0.484)  ( 0.00,  0.00,  0.00)
166: 28       (  0.161,   0.473,  -0.074)  (  0.162,   0.473,  -0.072)  ( 0.01,  0.00,  0.01)
166:     bond    ( -1.791,   1.438,  -1.751)  ( -1.790,   1.439,  -1.750)  ( 0.08,  0.07,  0.08)
166:     angle   ( -0.694,   0.523,   1.139)  ( -0.694,   0.523,   1.139)  ( 0.01,  0.00,  0.04)
166:     strbnd  (  0.572,  -0.470,   0.906)  (  0.572,  -0.470,   0.906)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.222,   0.282,   0.005)  (  0.222,   0.283,   0.005)  ( 0.00,  0.01,  0.00)
166:     oop     (  0.006,   0.008,   0.000)  (  0.005,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.510,  -1.901,  -1.427)  (  2.510,  -1.901,  -1.427)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.665,   0.593,   1.054)  ( -0.665,   0.593,   1.054)  ( 0.00,  0.00,  0.00)
166: 29       (  0.385,   0.558,   0.067)  (  0.367,   0.535,   0.068)  ( 0.68,  1.30,  0.01)
166:     bond    (  0.302,  -0.086,  -3.852)  (  0.302,  -0.086,  -3.850)  ( 0.00,  0.00,  0.06)
166:     angle   ( -6.191,   4.765,  -0.593)  ( -6.191,   4.765,  -0.593)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  0.076,   0.015,  -2.804)  (  0.076,   0.015,  -2.804)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.648,   0.848,   0.032)  (  0.648,   0.848,   0.032)  ( 0.00,  0.01,  0.00)
166:     oop     (  0.111,   0.143,   0.005)  (  0.093,   0.120,   0.005)  ( 0.20,  0.34,  0.00)
166:     vdw     (  5.741,  -5.031,   8.170)  (  5.741,  -5.031,   8.171)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.302,  -0.096,  -0.891)  ( -0.302,  -0.096,  -0.891)  ( 0.00,  0.00,  0.00)
166: 30       ( -0.388,  -0.464,  -0.137)  ( -0.390,  -0.467,  -0.134)  ( 0.06,  0.11,  0.05)
166:     bond    ( -0.285,   0.192,   2.526)  ( -0.284,   0.192,   2.529)  ( 0.00,  0.00,  0.15)
166:     angle   (  0.191,  -0.141,   0.032)  (  0.191,  -0.141,   0.032)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( -0.092,   0.073,  -0.831)  ( -0.092,   0.073,  -0.831)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.351,  -0.466,  -0.004)  ( -0.351,  -0.466,  -0.004)  ( 0.00,  0.01,  0.00)
166:     oop     (  0.013,   0.017,   0.000)  (  0.011,   0.014,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.124,  -0.078,  -0.755)  (  0.124,  -0.078,  -0.755)  ( 0.00,  0.00,  0.00)
166:     electro (  0.011,  -0.061,  -1.105)  (  0.011,  -0.061,  -1.105)  ( 0.00,  0.00,  0.00)
166: 31       ( -0.193,   0.021,   0.101)  ( -0.196,   0.016,   0.102)  ( 0.05,  0.01,  0.01)
166:     bond    ( -1.807,   1.366,   0.917)  ( -1.805,   1.368,   0.917)  ( 0.11,  0.09,  0.05)
166:     angle   (  0.005,   0.002,   0.007)  (  0.005,   0.002,   0.008)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  0.452,  -0.351,  -0.140)  (  0.452,  -0.351,  -0.140)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.111,  -0.144,  -0.004)  ( -0.110,  -0.143,  -0.004)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.028,   0.036,   0.000)  (  0.023,   0.030,   0.000)  ( 0.01,  0.02,  0.00)
166:     vdw     (  0.558,  -0.417,  -0.304)  (  0.558,  -0.417,  -0.304)  ( 0.00,  0.00,  0.00)
166:     electro (  0.682,  -0.472,  -0.376)  (  0.682,  -0.472,  -0.376)  ( 0.00,  0.00,  0.00)
166: 32       ( -0.425,  -0.505,  -0.048)  ( -0.365,  -0.520,  -0.079)  ( 2.55,  0.73,  0.15)
166:     bond    ( -5.280,  -7.572,  -4.556)  ( -5.277,  -7.567,  -4.554)  ( 0.05,  0.06,  0.04)
166:     angle   ( -0.110,   0.279,  -0.337)  ( -0.110,   0.279,  -0.337)  ( 0.00,  0.01,  0.02)
166:     strbnd  (  1.293,   1.229,   1.466)  (  1.293,   1.229,   1.466)  ( 0.00,  0.01,  0.01)
166:     torsion (  1.739,  -0.595,  -1.027)  (  1.739,  -0.595,  -1.027)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.260,   0.090,   0.151)  ( -0.202,   0.070,   0.118)  ( 1.49,  0.18,  0.50)
166:     vdw     (  4.932,   0.142,   8.178)  (  4.933,   0.142,   8.178)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.741,   5.922,  -3.924)  ( -2.741,   5.922,  -3.924)  ( 0.00,  0.00,  0.00)
166: 33       (  0.059,   0.082,  -0.083)  (  0.093,   0.076,  -0.098)  ( 0.20,  0.05,  0.12)
166:     bond    (  4.715,   4.557,   6.062)  (  4.716,   4.560,   6.065)  ( 0.02,  0.07,  0.06)
166:     angle   ( -7.689, -18.240,  -5.025)  ( -7.688, -18.238,  -5.024)  ( 0.01,  0.01,  0.01)
166:     strbnd  (  3.295,  -2.419,   7.181)  (  3.295,  -2.419,   7.181)  ( 0.00,  0.01,  0.00)
166:     torsion ( -1.716,   0.412,   0.834)  ( -1.716,   0.412,   0.834)  ( 0.01,  0.00,  0.00)
166:     oop     ( -0.210,   0.072,   0.121)  ( -0.178,   0.061,   0.103)  ( 0.68,  0.08,  0.23)
166:     vdw     (  1.937,  10.751,  -6.247)  (  1.938,  10.752,  -6.247)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.274,   4.948,  -3.009)  ( -0.274,   4.948,  -3.009)  ( 0.00,  0.00,  0.00)
166: 34       (  0.389,   0.093,   0.080)  (  0.395,   0.098,   0.086)  ( 0.24,  0.05,  0.05)
166:     bond    ( -0.334,  -4.761,   2.356)  ( -0.329,  -4.757,   2.361)  ( 0.15,  0.10,  0.19)
166:     angle   (  0.189,   3.946,   0.226)  (  0.190,   3.948,   0.228)  ( 0.03,  0.05,  0.04)
166:     strbnd  (  0.552,   0.973,   0.402)  (  0.551,   0.972,   0.402)  ( 0.02,  0.16,  0.02)
166:     torsion (  1.469,  -0.111,  -0.152)  (  1.469,  -0.111,  -0.152)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.779,   1.527,  -7.078)  ( -3.779,   1.527,  -7.078)  ( 0.00,  0.00,  0.00)
166:     electro (  2.292,  -1.482,   4.326)  (  2.292,  -1.482,   4.326)  ( 0.00,  0.00,  0.00)
166: 35       (  0.303,   0.212,   0.053)  (  0.304,   0.213,   0.055)  ( 0.04,  0.01,  0.01)
166:     bond    (  0.249,   0.013,   0.448)  (  0.250,   0.013,   0.451)  ( 0.02,  0.00,  0.12)
166:     angle   (  0.291,   0.661,  -0.181)  (  0.291,   0.662,  -0.181)  ( 0.01,  0.04,  0.00)
166:     strbnd  ( -0.215,  -0.451,  -0.159)  ( -0.215,  -0.451,  -0.159)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.017,  -0.004,  -0.009)  (  0.017,  -0.004,  -0.009)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.039,  -0.007,  -0.046)  ( -0.039,  -0.007,  -0.046)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 36       (  0.432,   0.172,   0.118)  (  0.434,   0.174,   0.120)  ( 0.05,  0.03,  0.02)
166:     bond    (  0.425,  -0.592,  -0.547)  (  0.425,  -0.590,  -0.545)  ( 0.03,  0.08,  0.07)
166:     angle   (  1.840,  -0.935,   2.446)  (  1.841,  -0.935,   2.446)  ( 0.02,  0.03,  0.01)
166:     strbnd  (  0.155,  -0.679,  -0.026)  (  0.155,  -0.679,  -0.026)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.272,  -0.056,  -0.151)  ( -0.272,  -0.056,  -0.151)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.715,   2.434,  -1.604)  ( -1.715,   2.434,  -1.604)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 37       (  0.355,  -0.026,   0.062)  (  0.358,  -0.025,   0.062)  ( 0.11,  0.00,  0.00)
166:     bond    ( -0.517,  -0.155,   0.092)  ( -0.514,  -0.155,   0.092)  ( 0.16,  0.00,  0.00)
166:     angle   (  0.968,  -1.352,   3.151)  (  0.969,  -1.351,   3.152)  ( 0.01,  0.04,  0.01)
166:     strbnd  ( -0.412,  -0.566,   0.270)  ( -0.412,  -0.566,   0.270)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.011,  -0.098,  -0.229)  ( -0.011,  -0.098,  -0.229)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.326,   2.145,  -3.222)  (  0.326,   2.145,  -3.222)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: ok 26 # gradients 
166: ok 27 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
166:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
166:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
166:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
166:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
166:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
166:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
166:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
166:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
166:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
166:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
166:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
166:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
166:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
166:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
166:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
166:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
166:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
166:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
166:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
166:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
166:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
166:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
166:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
166:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
166:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
166:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
166:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
166:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
166:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
166:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
166:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
166:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
166:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
166:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
166:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
166:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
166:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
166:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
166:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
166:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
166:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
166:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
166:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
166:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
166:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
166:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
166:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
166:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
166:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
166:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
166:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
166:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
166:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
166:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
166:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
166:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
166:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
166:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
166:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
166:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
166:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
166: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
166:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
166:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
166:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
166:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
166:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
166: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
166:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
166:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
166:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
166:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
166:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
166:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
166: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
166:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
166:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
166:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
166:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
166:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
166:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
166: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
166:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
166:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
166:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
166:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
166: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
166:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
166:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
166:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
166:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
166: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
166:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
166:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
166:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
166:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
166:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
166:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
166: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
166:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
166:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
166:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
166:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
166:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
166: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
166:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
166:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
166:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
166:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
166:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
166: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
166:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
166:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
166:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
166:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
166:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
166: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
166:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
166:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
166:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
166:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
166:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
166: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
166:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
166:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
166:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
166:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
166:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
166:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
166: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
166:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
166:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
166:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
166:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
166:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
166:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
166: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
166:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
166:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
166:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
166:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
166:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
166: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
166:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
166:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
166:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
166:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
166: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
166:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
166:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
166:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
166:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
166:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
166:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
166:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
166:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
166:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
166:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
166:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
166:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
166:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
166:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
166:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
166:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
166:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
166:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
166:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
166:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
166:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
166:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
166:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
166:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
166:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
166:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
166:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
166:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
166:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
166:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
166:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
166:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
166:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
166:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
166:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
166:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
166: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
166:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
166:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
166:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
166:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
166: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
166:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
166:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
166:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
166: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
166:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
166:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
166:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
166: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
166:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
166:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
166:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
166:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
166:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
166: ok 28 # gradients 
166: ok 29 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
166:  1       (-37.071, -81.376,  -8.715)  (-37.065, -81.370,  -8.711)  ( 0.01,  0.01,  0.06)
166:     bond    ( -6.927,  -6.224,   0.204)  ( -6.923,  -6.219,   0.208)  ( 0.06,  0.08,  0.07)
166:     angle   (-43.402, -92.594,  -5.039)  (-43.401, -92.592,  -5.037)  ( 0.00,  0.00,  0.03)
166:     strbnd  ( 17.017,  19.808,  -1.013)  ( 17.017,  19.807,  -1.014)  ( 0.00,  0.00,  0.03)
166:     torsion ( -0.140,   0.089,  -0.286)  ( -0.140,   0.089,  -0.286)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.619,  -2.454,  -2.581)  ( -3.619,  -2.454,  -2.581)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  2       (-39.440,   2.545,  50.699)  (-39.434,   2.550,  50.705)  ( 0.01,  0.18,  0.01)
166:     bond    (  2.221,   0.743,  -4.295)  (  2.225,   0.746,  -4.291)  ( 0.19,  0.23,  0.10)
166:     angle   (-30.186,   6.101,  43.460)  (-30.184,   6.103,  43.462)  ( 0.01,  0.03,  0.00)
166:     strbnd  ( -8.549,  -6.318,  14.014)  ( -8.550,  -6.318,  14.014)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.634,  -0.131,  -0.999)  ( -0.634,  -0.131,  -0.999)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.292,   2.150,  -1.482)  ( -2.292,   2.150,  -1.482)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  3       ( -1.587,  40.280, -47.662)  ( -1.722,  39.405, -48.005)  ( 8.54,  2.17,  0.72)
166:     bond    ( -0.509,   0.513,  -6.367)  ( -0.504,   0.517,  -6.364)  ( 0.25,  0.20,  0.05)
166:     angle   ( 13.510,  14.854, -42.989)  ( 13.512,  14.856, -42.987)  ( 0.01,  0.01,  0.00)
166:     strbnd  (-14.490,   2.857,  -6.469)  (-14.491,   2.857,  -6.469)  ( 0.01,  0.01,  0.01)
166:     torsion (  0.820,  13.476,   6.086)  (  0.820,  13.476,   6.086)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.965,   7.596,   5.726)  ( -1.106,   6.716,   5.379)  (13.62, 11.59,  6.06)
166:     vdw     (  0.470,   0.645,  -3.276)  (  0.471,   0.645,  -3.276)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.424,   0.339,  -0.373)  ( -0.424,   0.339,  -0.373)  ( 0.00,  0.00,  0.00)
166:  4       ( -3.751,  47.995,  62.741)  ( -3.746,  48.001,  62.747)  ( 0.14,  0.01,  0.01)
166:     bond    ( -1.086,   2.486,   9.511)  ( -1.082,   2.490,   9.516)  ( 0.33,  0.17,  0.05)
166:     angle   ( -4.863,  51.765,  70.840)  ( -4.861,  51.767,  70.842)  ( 0.04,  0.00,  0.00)
166:     strbnd  (  4.026, -10.734, -19.678)  (  4.025, -10.735, -19.679)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.144,   0.700,  -0.367)  (  0.144,   0.700,  -0.367)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.972,   3.779,   2.435)  ( -1.972,   3.779,   2.435)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  5       (-38.271, -131.602, -55.190)  (-37.474, -129.364, -53.224)  ( 2.08,  1.70,  3.56)
166:     bond    (  8.677, -20.361, -12.122)  (  8.681, -20.358, -12.120)  ( 0.05,  0.02,  0.02)
166:     angle   (-36.816, -71.485,  11.280)  (-36.815, -71.484,  11.281)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( 12.873,  -5.181,   7.752)  ( 12.873,  -5.181,   7.752)  ( 0.00,  0.00,  0.01)
166:     torsion (-12.225, -29.725, -36.119)  (-12.225, -29.725, -36.119)  ( 0.00,  0.00,  0.00)
166:     oop     ( -5.173, -18.341, -24.805)  ( -4.382, -16.108, -22.842)  (15.29, 12.17,  7.91)
166:     vdw     ( -5.982,  13.988,  -1.401)  ( -5.982,  13.988,  -1.401)  ( 0.00,  0.00,  0.00)
166:     electro (  0.375,  -0.497,   0.224)  (  0.375,  -0.497,   0.224)  ( 0.00,  0.00,  0.00)
166:  6       ( 59.513,  60.458,  25.145)  ( 58.727,  59.176,  24.316)  ( 1.32,  2.12,  3.30)
166:     bond    ( -6.489, -13.464,  18.197)  ( -6.484, -13.459,  18.199)  ( 0.07,  0.03,  0.01)
166:     angle   ( 37.474,  50.266, -17.881)  ( 37.475,  50.267, -17.880)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( -3.586,  -8.839,   8.084)  ( -3.586,  -8.840,   8.084)  ( 0.01,  0.00,  0.00)
166:     torsion ( 14.651,  15.387,  15.614)  ( 14.652,  15.387,  15.614)  ( 0.00,  0.00,  0.00)
166:     oop     (  6.902,   8.223,   9.114)  (  6.110,   6.936,   8.282)  (11.47, 15.66,  9.13)
166:     vdw     ( 10.851,   9.567,  -8.214)  ( 10.851,   9.567,  -8.214)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.290,  -0.682,   0.230)  ( -0.290,  -0.682,   0.230)  ( 0.00,  0.00,  0.00)
166:  7       (-98.956, -30.139,   2.983)  (-97.624, -30.391,   3.584)  ( 1.35,  0.84, 20.16)
166:     bond    (-36.725,  -4.863,   0.794)  (-36.719,  -4.859,   0.795)  ( 0.01,  0.08,  0.10)
166:     angle   (-40.863, -11.120,  -0.055)  (-40.862, -11.119,  -0.054)  ( 0.00,  0.01,  0.00)
166:     strbnd  (-15.761, -19.921,  -0.231)  (-15.761, -19.921,  -0.231)  ( 0.00,  0.00,  0.00)
166:     torsion (-16.151,  -0.989,   6.996)  (-16.151,  -0.989,   6.996)  ( 0.00,  0.00,  0.01)
166:     oop     ( -6.016,   1.821,   0.042)  ( -4.691,   1.564,   0.642)  (22.03, 14.13,  2.51)
166:     vdw     ( 17.210,   4.832,  -4.353)  ( 17.210,   4.832,  -4.353)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.650,   0.102,  -0.210)  ( -0.650,   0.102,  -0.210)  ( 0.00,  0.00,  0.00)
166:  8       ( 42.185, -29.144,  98.083)  ( 40.890, -28.721,  95.733)  ( 3.07,  1.45,  2.40)
166:     bond    (  0.216,  13.908,  14.316)  (  0.219,  13.913,  14.318)  ( 0.06,  0.04,  0.01)
166:     angle   ( 11.911, -57.274,  71.476)  ( 11.912, -57.273,  71.477)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( 12.084,  27.937,   5.019)  ( 12.083,  27.936,   5.019)  ( 0.00,  0.00,  0.00)
166:     torsion (  3.830,   0.035,  -3.860)  (  3.830,   0.035,  -3.861)  ( 0.00,  0.00,  0.00)
166:     oop     (  8.502,  -2.885,  10.470)  (  7.204,  -2.469,   8.117)  (15.27, 14.44, 22.47)
166:     vdw     (  7.198, -12.680,   2.190)  (  7.198, -12.679,   2.190)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.556,   1.815,  -1.528)  ( -1.556,   1.815,  -1.528)  ( 0.00,  0.00,  0.00)
166:  9       ( 32.579,  54.117, -119.425)  ( 31.952,  53.028, -118.703)  ( 1.92,  2.01,  0.60)
166:     bond    ( 10.817,   9.746, -28.895)  ( 10.820,   9.748, -28.889)  ( 0.03,  0.02,  0.02)
166:     angle   ( 35.048,  51.699, -72.855)  ( 35.049,  51.701, -72.854)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  0.568,  -4.532,  -8.148)  (  0.567,  -4.532,  -8.148)  ( 0.01,  0.00,  0.00)
166:     torsion ( -4.728,  -6.617, -17.279)  ( -4.728,  -6.618, -17.279)  ( 0.00,  0.01,  0.00)
166:     oop     (  1.204,   5.714,  -4.530)  (  0.573,   4.622,  -3.815)  (52.37, 19.12, 15.77)
166:     vdw     (-10.056,  -2.512,  13.221)  (-10.056,  -2.512,  13.222)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.274,   0.620,  -0.940)  ( -0.274,   0.620,  -0.940)  ( 0.00,  0.00,  0.00)
166: 10       ( -2.422, -19.944, 132.061)  ( -2.392, -20.229, 130.455)  ( 1.24,  1.43,  1.22)
166:     bond    ( 18.269,   6.335,   0.967)  ( 18.273,   6.339,   0.970)  ( 0.02,  0.07,  0.23)
166:     angle   (-27.608, -36.500,  84.948)  (-27.607, -36.499,  84.949)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( 12.909,   2.314,  -3.833)  ( 12.909,   2.313,  -3.833)  ( 0.00,  0.02,  0.00)
166:     torsion (  5.991,   6.815,  25.602)  (  5.992,   6.815,  25.602)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.582,   4.956,  14.815)  (  0.605,   4.666,  13.205)  ( 1.37,  5.85, 10.86)
166:     vdw     (-13.143,  -3.558,   9.953)  (-13.143,  -3.558,   9.953)  ( 0.00,  0.00,  0.00)
166:     electro (  0.579,  -0.306,  -0.390)  (  0.579,  -0.306,  -0.390)  ( 0.00,  0.00,  0.00)
166: 11       ( 47.658, -22.934, -63.453)  ( 37.369, -23.638, -54.855)  (21.59,  3.07, 13.55)
166:     bond    (-11.073,   2.546,  -4.952)  (-11.069,   2.550,  -4.949)  ( 0.04,  0.18,  0.08)
166:     angle   ( 14.987, -10.150, -58.721)  ( 14.989, -10.148, -58.720)  ( 0.01,  0.02,  0.00)
166:     strbnd  ( 17.268, -10.877,  11.808)  ( 17.267, -10.878,  11.807)  ( 0.00,  0.01,  0.01)
166:     torsion (  6.129,   3.198,  15.790)  (  6.129,   3.198,  15.790)  ( 0.00,  0.00,  0.00)
166:     oop     ( 18.909,  -6.132, -23.821)  (  8.614,  -6.841, -15.228)  (54.44, 11.57, 36.07)
166:     vdw     (  1.389,  -2.494,  -1.281)  (  1.389,  -2.494,  -1.281)  ( 0.00,  0.00,  0.00)
166:     electro (  0.050,   0.975,  -2.276)  (  0.050,   0.975,  -2.276)  ( 0.00,  0.00,  0.00)
166: 12       ( 31.693, -14.126, -65.659)  ( 31.699, -14.121, -65.654)  ( 0.02,  0.04,  0.01)
166:     bond    (  4.025,  -3.189,  -9.311)  (  4.029,  -3.185,  -9.307)  ( 0.10,  0.12,  0.05)
166:     angle   ( 35.137, -10.001, -64.710)  ( 35.139, -10.000, -64.708)  ( 0.01,  0.02,  0.00)
166:     strbnd  ( -5.006,   4.101,  11.332)  ( -5.006,   4.101,  11.331)  ( 0.01,  0.01,  0.01)
166:     torsion ( -2.865,  -1.801,  -0.962)  ( -2.865,  -1.801,  -0.962)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.401,  -3.237,  -2.009)  (  0.401,  -3.237,  -2.009)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 13       (-44.560, -77.865, 136.018)  (-23.829, -75.824, 121.163)  (46.52,  2.62, 10.92)
166:     bond    ( -2.460,   4.359,  -8.933)  ( -2.456,   4.363,  -8.924)  ( 0.18,  0.08,  0.10)
166:     angle   ( 29.524, -109.944, 134.355)  ( 29.525, -109.943, 134.355)  ( 0.00,  0.00,  0.00)
166:     strbnd  (-14.951,  10.444, -24.236)  (-14.952,  10.444, -24.237)  ( 0.01,  0.01,  0.01)
166:     torsion (  1.176,  -3.022,  -8.395)  (  1.176,  -3.022,  -8.396)  ( 0.06,  0.00,  0.01)
166:     oop     (-59.918,  23.973,  41.115)  (-39.191,  26.010,  26.252)  (34.59,  8.49, 36.15)
166:     vdw     (  2.638,  -3.488,   3.777)  (  2.638,  -3.488,   3.777)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.568,  -0.188,  -1.665)  ( -0.568,  -0.188,  -1.665)  ( 0.00,  0.00,  0.00)
166: 14       (-73.793,  -5.351, -43.764)  (-74.002,  -4.993, -43.416)  ( 0.28,  6.69,  0.79)
166:     bond    (  2.608,   8.877,  -3.192)  (  2.609,   8.883,  -3.190)  ( 0.05,  0.08,  0.06)
166:     angle   (-96.717,  12.033, -55.420)  (-96.718,  12.033, -55.421)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( -4.852, -11.840,   5.276)  ( -4.852, -11.840,   5.276)  ( 0.00,  0.00,  0.00)
166:     torsion ( 10.732,   0.866,  11.025)  ( 10.727,   0.866,  11.022)  ( 0.04,  0.00,  0.03)
166:     oop     ( 12.415, -11.706,  -6.666)  ( 12.210, -11.356,  -6.316)  ( 1.65,  3.00,  5.26)
166:     vdw     (  1.533,  -1.793,   3.152)  (  1.533,  -1.793,   3.152)  ( 0.00,  0.00,  0.00)
166:     electro (  0.489,  -1.787,   2.061)  (  0.489,  -1.787,   2.061)  ( 0.00,  0.00,  0.00)
166: 15       ( 69.217, 103.058, -57.300)  ( 59.276, 101.483, -50.491)  (14.36,  1.53, 11.88)
166:     bond    (  2.268,   0.918,   3.526)  (  2.270,   0.919,   3.532)  ( 0.12,  0.04,  0.18)
166:     angle   ( 44.112, 114.284, -58.082)  ( 44.112, 114.285, -58.082)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  4.938,   2.167,   7.080)  (  4.938,   2.167,   7.080)  ( 0.01,  0.01,  0.00)
166:     torsion ( -3.970,   1.783,   2.088)  ( -3.970,   1.783,   2.088)  ( 0.00,  0.00,  0.00)
166:     oop     ( 25.969,  -6.898, -14.899)  ( 16.024,  -8.474,  -8.097)  (38.29, 22.85, 45.66)
166:     vdw     (  0.595,  -0.501,   0.672)  (  0.595,  -0.501,   0.672)  ( 0.00,  0.00,  0.00)
166:     electro ( -4.694,  -8.696,   2.316)  ( -4.694,  -8.696,   2.316)  ( 0.00,  0.00,  0.00)
166: 16       ( 10.862,  32.599,  -5.193)  ( 10.865,  32.600,  -5.193)  ( 0.03,  0.00,  0.01)
166:     bond    ( 12.564,  -2.116,  -0.282)  ( 12.567,  -2.116,  -0.282)  ( 0.02,  0.01,  0.00)
166:     angle   (  5.837,  35.355,  -5.146)  (  5.837,  35.356,  -5.145)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( -6.059,   0.924,   0.108)  ( -6.059,   0.924,   0.108)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.025,   0.048,   0.772)  (  0.025,   0.048,   0.772)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.506,  -1.612,  -0.646)  ( -1.506,  -1.612,  -0.646)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 17       ( 23.103,  21.401, -13.776)  ( 23.104,  21.402, -13.774)  ( 0.00,  0.01,  0.01)
166:     bond    (  0.013,   7.722,   8.189)  (  0.013,   7.723,   8.191)  ( 0.00,  0.02,  0.02)
166:     angle   ( 23.319,  18.754, -17.721)  ( 23.319,  18.754, -17.721)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( -0.112,  -4.214,  -4.433)  ( -0.112,  -4.214,  -4.433)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.254,  -0.191,   0.179)  (  0.254,  -0.191,   0.179)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.370,  -0.670,   0.010)  ( -0.370,  -0.670,   0.010)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 18       ( 33.905,  23.432,  15.855)  ( 33.905,  23.433,  15.857)  ( 0.00,  0.01,  0.01)
166:     bond    (  0.412,   8.070,  -8.784)  (  0.412,   8.072,  -8.782)  ( 0.00,  0.02,  0.02)
166:     angle   ( 35.086,  20.894,  20.850)  ( 35.086,  20.894,  20.850)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( -0.271,  -3.980,   4.289)  ( -0.271,  -3.980,   4.289)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.050,  -0.044,  -0.038)  (  0.050,  -0.044,  -0.038)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.372,  -1.509,  -0.461)  ( -1.372,  -1.509,  -0.461)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 19       (  7.842,  13.549,  15.910)  (  7.843,  13.550,  15.912)  ( 0.01,  0.01,  0.01)
166:     bond    (  4.298,  -5.557,  10.878)  (  4.298,  -5.556,  10.880)  ( 0.01,  0.01,  0.02)
166:     angle   (  5.140,  17.037,   6.669)  (  5.140,  17.038,   6.669)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( -0.222,   0.518,  -1.052)  ( -0.222,   0.518,  -1.052)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.333,  -0.021,  -0.143)  (  0.333,  -0.021,  -0.143)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.708,   1.572,  -0.443)  ( -1.707,   1.572,  -0.443)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 20       ( 24.224,   9.746,   3.735)  ( 24.225,   9.747,   3.737)  ( 0.00,  0.01,  0.06)
166:     bond    (  0.205,   8.145,  12.537)  (  0.205,   8.145,  12.539)  ( 0.00,  0.01,  0.02)
166:     angle   ( 25.409,   2.588,  -2.097)  ( 25.410,   2.588,  -2.096)  ( 0.00,  0.01,  0.01)
166:     strbnd  ( -0.027,  -1.112,  -1.794)  ( -0.027,  -1.112,  -1.794)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.559,  -0.957,   0.631)  ( -0.559,  -0.957,   0.631)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.804,   1.083,  -5.542)  ( -0.804,   1.083,  -5.542)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 21       (-14.013,  -5.680, -13.049)  (-14.012,  -5.678, -13.048)  ( 0.01,  0.05,  0.00)
166:     bond    ( -4.768, -11.721,   2.019)  ( -4.767, -11.719,   2.019)  ( 0.01,  0.02,  0.01)
166:     angle   ( -9.742,   1.595, -13.739)  ( -9.741,   1.596, -13.738)  ( 0.01,  0.01,  0.00)
166:     strbnd  (  0.618,   1.701,  -0.398)  (  0.618,   1.701,  -0.398)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.143,   0.073,   0.763)  (  0.143,   0.073,   0.763)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.264,   2.671,  -1.694)  ( -0.263,   2.671,  -1.694)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 22       (-11.466, -17.731, -34.136)  (-11.464, -17.730, -34.135)  ( 0.02,  0.00,  0.00)
166:     bond    ( 10.515,  -3.031,  -3.787)  ( 10.517,  -3.031,  -3.787)  ( 0.02,  0.01,  0.01)
166:     angle   (-17.099, -17.314, -33.631)  (-17.099, -17.314, -33.630)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( -4.687,   1.352,   1.833)  ( -4.687,   1.352,   1.833)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.036,  -0.401,   0.221)  ( -0.036,  -0.401,   0.221)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.159,   1.663,   1.228)  ( -0.159,   1.663,   1.228)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 23       (  9.654, -14.702, -18.379)  (  9.655, -14.701, -18.377)  ( 0.01,  0.01,  0.01)
166:     bond    ( -3.691,   5.903, -11.062)  ( -3.691,   5.904, -11.060)  ( 0.01,  0.01,  0.02)
166:     angle   ( 12.954, -19.869, -14.929)  ( 12.955, -19.869, -14.929)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  1.489,  -2.332,   4.677)  (  1.489,  -2.332,   4.677)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.247,  -0.126,   0.015)  ( -0.247,  -0.126,   0.015)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.851,   1.721,   2.920)  ( -0.851,   1.721,   2.920)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 24       ( 14.540,  -7.004, -26.289)  ( 14.541,  -7.001, -26.288)  ( 0.01,  0.04,  0.00)
166:     bond    ( -4.182,  -9.280,  -1.526)  ( -4.182,  -9.277,  -1.526)  ( 0.01,  0.03,  0.01)
166:     angle   ( 17.244,  -3.364, -26.810)  ( 17.244,  -3.364, -26.810)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  2.112,   4.668,   0.929)  (  2.112,   4.668,   0.929)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.199,  -0.107,   0.107)  (  0.199,  -0.107,   0.107)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.832,   1.079,   1.011)  ( -0.832,   1.079,   1.011)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 25       ( -2.146,  11.421,  -4.557)  ( -2.080,  11.484,  -4.381)  ( 3.09,  0.55,  3.87)
166:     bond    ( -0.517,  -0.905,   0.501)  ( -0.517,  -0.903,   0.502)  ( 0.04,  0.21,  0.04)
166:     angle   ( -5.394,   1.536,  -2.786)  ( -5.394,   1.537,  -2.786)  ( 0.01,  0.01,  0.00)
166:     strbnd  (  4.247,   7.387,  -3.525)  (  4.247,   7.387,  -3.525)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.245,   2.897,   3.928)  ( -1.245,   2.897,   3.928)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.602,  -0.657,  -1.800)  ( -0.537,  -0.596,  -1.625)  ( 3.91,  3.97,  9.75)
166:     vdw     (  1.342,   0.777,  -0.631)  (  1.342,   0.777,  -0.631)  ( 0.00,  0.00,  0.00)
166:     electro (  0.023,   0.386,  -0.243)  (  0.023,   0.386,  -0.243)  ( 0.00,  0.00,  0.00)
166: 26       (  8.264,  -9.314, -14.985)  (  7.913,  -9.070, -14.378)  ( 4.25,  2.62,  4.05)
166:     bond    (  0.510,   0.130,   0.247)  (  0.513,   0.130,   0.248)  ( 0.15,  0.00,  0.02)
166:     angle   ( -0.687,  -4.473,   3.772)  ( -0.687,  -4.472,   3.772)  ( 0.00,  0.01,  0.00)
166:     strbnd  ( -3.764,  -0.803,  -0.766)  ( -3.764,  -0.803,  -0.766)  ( 0.00,  0.00,  0.01)
166:     torsion (  8.777,  -3.424, -16.387)  (  8.777,  -3.424, -16.387)  ( 0.00,  0.00,  0.00)
166:     oop     (  1.606,  -0.922,  -2.844)  (  1.252,  -0.679,  -2.237)  (22.07, 22.40, 21.34)
166:     vdw     (  1.106,  -0.058,   0.139)  (  1.106,  -0.058,   0.139)  ( 0.00,  0.00,  0.00)
166:     electro (  0.715,   0.236,   0.855)  (  0.715,   0.236,   0.855)  ( 0.00,  0.00,  0.00)
166: 27       ( -9.529,  -0.985,   0.936)  ( -8.994,  -0.277,   0.839)  ( 5.61, 69.82,  9.15)
166:     bond    ( -0.257,   0.039,  -1.081)  ( -0.257,   0.039,  -1.078)  ( 0.01,  0.00,  0.33)
166:     angle   ( -2.751,   5.638,   0.859)  ( -2.751,   5.638,   0.859)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( -0.092,   0.684,  -4.568)  ( -0.092,   0.685,  -4.568)  ( 0.00,  0.00,  0.00)
166:     torsion ( -4.710,  -4.641,   0.953)  ( -4.710,  -4.641,   0.953)  ( 0.00,  0.00,  0.00)
166:     oop     ( -2.117,  -3.288,   0.385)  ( -1.584,  -2.580,   0.284)  (25.20, 21.55,  3.90)
166:     vdw     ( -0.554,   0.339,   2.803)  ( -0.554,   0.339,   2.803)  ( 0.00,  0.00,  0.00)
166:     electro (  0.953,   0.243,   1.585)  (  0.953,   0.243,   1.585)  ( 0.00,  0.00,  0.00)
166: 28       (-35.688,  35.118, -12.756)  (-35.489,  35.165, -12.454)  ( 0.56,  0.13,  2.37)
166:     bond    ( -0.608,  -0.110,   0.410)  ( -0.606,  -0.110,   0.411)  ( 0.16,  0.00,  0.05)
166:     angle   (-20.084,  33.989, -20.477)  (-20.083,  33.989, -20.477)  ( 0.00,  0.00,  0.00)
166:     strbnd  (-11.144,  -1.712,   8.116)  (-11.144,  -1.712,   8.116)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.403,   5.730,  -0.531)  ( -1.403,   5.730,  -0.531)  ( 0.00,  0.00,  0.00)
166:     oop     ( -1.298,  -1.456,  -2.303)  ( -1.102,  -1.410,  -2.002)  (15.09,  3.14, 13.07)
166:     vdw     ( -0.679,  -1.424,   2.000)  ( -0.679,  -1.424,   2.000)  ( 0.00,  0.00,  0.00)
168:     angle   (  1.122,  -0.757,   2.811)  (  1.123,  -0.756,   2.813)  ( 0.09,  0.04,  0.06)
168:     strbnd  (  2.035,  -1.610,  -1.356)  (  2.035,  -1.610,  -1.356)  ( 0.01,  0.01,  0.01)
168:     torsion ( -0.226,  -0.307,   0.011)  ( -0.225,  -0.307,   0.011)  ( 0.01,  0.03,  0.00)
168:     oop     ( -0.009,  -0.013,  -0.000)  ( -0.008,  -0.010,  -0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.387,  -0.990, -13.718)  (  1.387,  -0.990, -13.718)  ( 0.00,  0.00,  0.00)
168:     electro (  0.030,   0.005,   0.311)  (  0.030,   0.005,   0.311)  ( 0.00,  0.00,  0.00)
168: 24       (  0.157,  -0.217,  -0.233)  (  0.172,  -0.201,  -0.226)  ( 0.23,  0.34,  0.16)
168:     bond    ( -7.605,   5.610,   5.554)  ( -7.601,   5.612,   5.560)  ( 0.05,  0.04,  0.10)
168:     angle   ( -1.737,   1.343,   0.082)  ( -1.736,   1.343,   0.083)  ( 0.06,  0.05,  0.01)
168:     strbnd  (  0.340,  -0.282,  -1.073)  (  0.340,  -0.282,  -1.073)  ( 0.00,  0.00,  0.02)
168:     torsion (  0.141,   0.176,   0.004)  (  0.142,   0.177,   0.004)  ( 0.01,  0.01,  0.00)
168:     oop     ( -0.055,  -0.073,  -0.001)  ( -0.046,  -0.061,  -0.001)  ( 0.05,  0.09,  0.00)
168:     vdw     (  9.119,  -7.021,  -4.701)  (  9.119,  -7.021,  -4.701)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.046,   0.030,  -0.098)  ( -0.046,   0.030,  -0.098)  ( 0.00,  0.00,  0.00)
168: 25       (  0.454,   0.055,   0.715)  (  0.438,   0.032,   0.721)  ( 0.74,  0.13,  0.46)
168:     bond    (-11.078,   8.736,  -4.694)  (-11.074,   8.738,  -4.688)  ( 0.03,  0.02,  0.12)
168:     angle   (  1.300,  -0.887,  -3.803)  (  1.301,  -0.886,  -3.801)  ( 0.08,  0.06,  0.05)
168:     strbnd  (  1.316,  -0.991,   0.244)  (  1.316,  -0.991,   0.244)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.076,  -0.091,   0.002)  ( -0.076,  -0.090,   0.002)  ( 0.00,  0.01,  0.00)
168:     oop     (  0.140,   0.179,   0.005)  (  0.119,   0.152,   0.004)  ( 0.30,  0.49,  0.00)
168:     vdw     (  8.950,  -6.944,   9.005)  (  8.950,  -6.943,   9.005)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.098,   0.053,  -0.044)  ( -0.098,   0.053,  -0.044)  ( 0.00,  0.00,  0.00)
168: 26       (  0.502,  -0.688,  -0.363)  (  0.560,  -0.616,  -0.355)  ( 2.88,  4.96,  0.30)
168:     bond    ( -0.944,   0.846, -18.247)  ( -0.940,   0.848, -18.243)  ( 0.30,  0.17,  0.02)
168:     angle   (  7.126,  -5.296,   3.718)  (  7.127,  -5.296,   3.720)  ( 0.01,  0.01,  0.05)
168:     strbnd  ( -7.430,   5.904,   0.945)  ( -7.430,   5.904,   0.944)  ( 0.00,  0.00,  0.05)
168:     torsion ( -0.866,  -1.152,  -0.063)  ( -0.866,  -1.152,  -0.063)  ( 0.03,  0.06,  0.00)
168:     oop     ( -0.313,  -0.407,  -0.015)  ( -0.261,  -0.338,  -0.012)  ( 1.66,  2.81,  0.00)
168:     vdw     (  3.069,  -0.873,  13.253)  (  3.069,  -0.873,  13.253)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.139,   0.290,   0.046)  ( -0.139,   0.290,   0.046)  ( 0.00,  0.00,  0.00)
168: 27       (  1.281,  -0.843,   0.502)  (  1.283,  -0.843,   0.504)  ( 0.11,  0.06,  0.10)
168:     bond    (  2.446,  -1.770,   2.501)  (  2.447,  -1.769,   2.503)  ( 0.06,  0.04,  0.06)
168:     angle   ( -1.543,   1.181,   2.343)  ( -1.543,   1.181,   2.344)  ( 0.01,  0.01,  0.02)
168:     strbnd  ( -1.339,   0.977,  -0.789)  ( -1.339,   0.977,  -0.789)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.988,   1.336,  -0.022)  (  0.988,   1.336,  -0.022)  ( 0.01,  0.02,  0.00)
168:     oop     (  0.002,   0.003,  -0.000)  (  0.002,   0.002,  -0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.259,  -2.708,  -3.410)  (  1.260,  -2.708,  -3.410)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.532,   0.139,  -0.121)  ( -0.532,   0.139,  -0.121)  ( 0.00,  0.00,  0.00)
168: 28       (  0.659,   0.029,  -0.865)  (  0.660,   0.029,  -0.863)  ( 0.05,  0.00,  0.16)
168:     bond    ( -1.791,   1.438,  -1.751)  ( -1.790,   1.439,  -1.750)  ( 0.08,  0.07,  0.08)
168:     angle   ( -0.694,   0.523,   1.139)  ( -0.694,   0.523,   1.139)  ( 0.01,  0.00,  0.04)
168:     strbnd  (  0.572,  -0.470,   0.906)  (  0.572,  -0.470,   0.906)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.222,   0.282,   0.005)  (  0.222,   0.283,   0.005)  ( 0.00,  0.01,  0.00)
168:     oop     (  0.006,   0.008,   0.000)  (  0.005,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.510,  -1.901,  -1.427)  (  2.510,  -1.901,  -1.427)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.166,   0.148,   0.264)  ( -0.166,   0.148,   0.264)  ( 0.00,  0.00,  0.00)
168: 29       (  0.611,   0.630,   0.735)  (  0.594,   0.607,   0.737)  ( 1.08,  1.46,  0.11)
168:     bond    (  0.302,  -0.086,  -3.852)  (  0.302,  -0.086,  -3.850)  ( 0.00,  0.00,  0.06)
168:     angle   ( -6.191,   4.765,  -0.593)  ( -6.191,   4.765,  -0.593)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  0.076,   0.015,  -2.804)  (  0.076,   0.015,  -2.804)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.648,   0.848,   0.032)  (  0.648,   0.848,   0.032)  ( 0.00,  0.01,  0.00)
168:     oop     (  0.111,   0.143,   0.005)  (  0.093,   0.120,   0.005)  ( 0.20,  0.34,  0.00)
168:     vdw     (  5.741,  -5.031,   8.170)  (  5.741,  -5.031,   8.171)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.075,  -0.024,  -0.223)  ( -0.075,  -0.024,  -0.223)  ( 0.00,  0.00,  0.00)
168: 30       ( -0.397,  -0.419,   0.691)  ( -0.398,  -0.421,   0.695)  ( 0.06,  0.10,  0.25)
168:     bond    ( -0.285,   0.192,   2.526)  ( -0.284,   0.192,   2.529)  ( 0.00,  0.00,  0.15)
168:     angle   (  0.191,  -0.141,   0.032)  (  0.191,  -0.141,   0.032)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( -0.092,   0.073,  -0.831)  ( -0.092,   0.073,  -0.831)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.351,  -0.466,  -0.004)  ( -0.351,  -0.466,  -0.004)  ( 0.00,  0.01,  0.00)
168:     oop     (  0.013,   0.017,   0.000)  (  0.011,   0.014,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.124,  -0.078,  -0.755)  (  0.124,  -0.078,  -0.755)  ( 0.00,  0.00,  0.00)
168:     electro (  0.003,  -0.015,  -0.276)  (  0.003,  -0.015,  -0.276)  ( 0.00,  0.00,  0.00)
168: 31       ( -0.704,   0.375,   0.383)  ( -0.707,   0.370,   0.384)  ( 0.17,  0.17,  0.04)
168:     bond    ( -1.807,   1.366,   0.917)  ( -1.805,   1.368,   0.917)  ( 0.11,  0.09,  0.05)
168:     angle   (  0.005,   0.002,   0.007)  (  0.005,   0.002,   0.008)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  0.452,  -0.351,  -0.140)  (  0.452,  -0.351,  -0.140)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.111,  -0.144,  -0.004)  ( -0.110,  -0.143,  -0.004)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.028,   0.036,   0.000)  (  0.023,   0.030,   0.000)  ( 0.01,  0.02,  0.00)
168:     vdw     (  0.558,  -0.417,  -0.304)  (  0.558,  -0.417,  -0.304)  ( 0.00,  0.00,  0.00)
168:     electro (  0.170,  -0.118,  -0.094)  (  0.170,  -0.118,  -0.094)  ( 0.00,  0.00,  0.00)
168: 32       (  1.630,  -4.947,   2.895)  (  1.690,  -4.961,   2.864)  ( 3.68,  0.29,  1.07)
168:     bond    ( -5.280,  -7.572,  -4.556)  ( -5.277,  -7.567,  -4.554)  ( 0.05,  0.06,  0.04)
168:     angle   ( -0.110,   0.279,  -0.337)  ( -0.110,   0.279,  -0.337)  ( 0.00,  0.01,  0.02)
168:     strbnd  (  1.293,   1.229,   1.466)  (  1.293,   1.229,   1.466)  ( 0.00,  0.01,  0.01)
168:     torsion (  1.739,  -0.595,  -1.027)  (  1.739,  -0.595,  -1.027)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.260,   0.090,   0.151)  ( -0.202,   0.070,   0.118)  ( 1.49,  0.18,  0.50)
168:     vdw     (  4.932,   0.142,   8.178)  (  4.933,   0.142,   8.178)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.685,   1.480,  -0.981)  ( -0.685,   1.480,  -0.981)  ( 0.00,  0.00,  0.00)
168: 33       (  0.265,  -3.628,   2.174)  (  0.299,  -3.635,   2.159)  ( 0.90,  0.18,  0.67)
168:     bond    (  4.715,   4.557,   6.062)  (  4.716,   4.560,   6.065)  ( 0.02,  0.07,  0.06)
168:     angle   ( -7.689, -18.240,  -5.025)  ( -7.688, -18.238,  -5.024)  ( 0.01,  0.01,  0.01)
168:     strbnd  (  3.295,  -2.419,   7.181)  (  3.295,  -2.419,   7.181)  ( 0.00,  0.01,  0.00)
168:     torsion ( -1.716,   0.412,   0.834)  ( -1.716,   0.412,   0.834)  ( 0.01,  0.00,  0.00)
168:     oop     ( -0.210,   0.072,   0.121)  ( -0.178,   0.061,   0.103)  ( 0.68,  0.08,  0.23)
168:     vdw     (  1.937,  10.751,  -6.247)  (  1.938,  10.752,  -6.247)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.069,   1.237,  -0.752)  ( -0.069,   1.237,  -0.752)  ( 0.00,  0.00,  0.00)
168: 34       ( -1.330,   1.205,  -3.164)  ( -1.324,   1.210,  -3.159)  ( 0.46,  0.42,  0.18)
168:     bond    ( -0.334,  -4.761,   2.356)  ( -0.329,  -4.757,   2.361)  ( 0.15,  0.10,  0.19)
168:     angle   (  0.189,   3.946,   0.226)  (  0.190,   3.948,   0.228)  ( 0.03,  0.05,  0.04)
168:     strbnd  (  0.552,   0.973,   0.402)  (  0.551,   0.972,   0.402)  ( 0.02,  0.16,  0.02)
168:     torsion (  1.469,  -0.111,  -0.152)  (  1.469,  -0.111,  -0.152)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.779,   1.527,  -7.078)  ( -3.779,   1.527,  -7.078)  ( 0.00,  0.00,  0.00)
168:     electro (  0.573,  -0.371,   1.082)  (  0.573,  -0.371,   1.082)  ( 0.00,  0.00,  0.00)
168: 35       (  0.303,   0.212,   0.053)  (  0.304,   0.213,   0.055)  ( 0.04,  0.01,  0.01)
168:     bond    (  0.249,   0.013,   0.448)  (  0.250,   0.013,   0.451)  ( 0.02,  0.00,  0.12)
168:     angle   (  0.291,   0.661,  -0.181)  (  0.291,   0.662,  -0.181)  ( 0.01,  0.04,  0.00)
168:     strbnd  ( -0.215,  -0.451,  -0.159)  ( -0.215,  -0.451,  -0.159)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.017,  -0.004,  -0.009)  (  0.017,  -0.004,  -0.009)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.039,  -0.007,  -0.046)  ( -0.039,  -0.007,  -0.046)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 36       (  0.432,   0.172,   0.118)  (  0.434,   0.174,   0.120)  ( 0.05,  0.03,  0.02)
168:     bond    (  0.425,  -0.592,  -0.547)  (  0.425,  -0.590,  -0.545)  ( 0.03,  0.08,  0.07)
168:     angle   (  1.840,  -0.935,   2.446)  (  1.841,  -0.935,   2.446)  ( 0.02,  0.03,  0.01)
168:     strbnd  (  0.155,  -0.679,  -0.026)  (  0.155,  -0.679,  -0.026)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.272,  -0.056,  -0.151)  ( -0.272,  -0.056,  -0.151)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.715,   2.434,  -1.604)  ( -1.715,   2.434,  -1.604)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 37       (  0.355,  -0.026,   0.062)  (  0.358,  -0.025,   0.062)  ( 0.11,  0.00,  0.00)
168:     bond    ( -0.517,  -0.155,   0.092)  ( -0.514,  -0.155,   0.092)  ( 0.16,  0.00,  0.00)
168:     angle   (  0.968,  -1.352,   3.151)  (  0.969,  -1.351,   3.152)  ( 0.01,  0.04,  0.01)
168:     strbnd  ( -0.412,  -0.566,   0.270)  ( -0.412,  -0.566,   0.270)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.011,  -0.098,  -0.229)  ( -0.011,  -0.098,  -0.229)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.326,   2.145,  -3.222)  (  0.326,   2.145,  -3.222)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: ok 26 # gradients 
168: ok 27 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       ( -2.053,   0.415,  -0.337)  ( -2.105,   0.368,  -0.075)  ( 2.53,  1.96,  8.81)
168:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
168:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
168:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
168:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
168:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
168:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
168:     electro (  0.486,   0.087,   0.038)  (  0.486,   0.087,   0.038)  ( 0.00,  0.00,  0.00)
168:  2       (  0.088,   0.178,   0.659)  (  0.225,   0.295,   0.137)  ( 1.20,  2.08, 34.38)
168:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
168:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
168:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
168:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
168:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
168:     electro (  0.052,  -0.254,  -0.057)  (  0.052,  -0.254,  -0.057)  ( 0.00,  0.00,  0.00)
168:  3       (  0.944,   1.074,   0.464)  (  0.859,   1.006,   0.824)  ( 8.03,  6.34, 16.68)
168:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
168:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
168:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
168:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
168:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
168:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.569,   0.038,  -0.166)  ( -0.569,   0.038,  -0.166)  ( 0.00,  0.00,  0.00)
168:  4       (  0.427,  -1.622,  -0.238)  (  0.436,  -1.613,  -0.247)  ( 0.36,  0.57,  0.21)
168:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
168:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
168:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
168:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
168:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
168:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
168:     electro (  0.349,   0.071,  -0.029)  (  0.349,   0.071,  -0.029)  ( 0.00,  0.00,  0.00)
168:  5       ( -6.203,   2.397,   1.174)  ( -6.193,   2.403,   1.165)  ( 0.15,  0.28,  0.83)
168:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
168:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
168:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
168:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
168:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.343,   0.567,  -0.136)  ( -0.343,   0.567,  -0.136)  ( 0.00,  0.00,  0.00)
168:  6       (  1.625,  -1.131,  -0.206)  (  1.645,  -1.109,  -0.266)  ( 1.28,  1.91,  1.23)
168:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
168:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
168:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
168:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
168:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
168:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.144,   0.140,   0.062)  ( -0.144,   0.140,   0.062)  ( 0.00,  0.00,  0.00)
168:  7       ( -1.018,  -0.292,  -0.300)  ( -1.008,  -0.282,  -0.315)  ( 0.96,  0.31,  0.44)
168:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
168:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
168:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
168:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
168:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
168:     electro (  0.448,  -0.945,  -0.018)  (  0.448,  -0.945,  -0.018)  ( 0.00,  0.00,  0.00)
168:  8       ( -1.004,   2.236,   0.069)  ( -1.034,   2.210,   0.203)  ( 3.05,  1.13,  0.92)
168:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
168:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
168:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
168:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
168:     electro (  0.013,  -0.285,   0.000)  (  0.013,  -0.285,   0.000)  ( 0.00,  0.00,  0.00)
168:  9       (  0.351,  -0.939,   0.203)  (  0.357,  -0.933,   0.209)  ( 0.20,  0.53,  0.11)
168:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
168:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
168:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
168:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
168:     electro (  0.040,  -0.039,  -0.079)  (  0.040,  -0.039,  -0.079)  ( 0.00,  0.00,  0.00)
168: 10       (  0.625,  -1.053,  -0.035)  (  0.652,  -1.028,  -0.117)  ( 1.68,  2.30,  0.29)
168:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
168:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
168:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
168:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
168:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.080,  -0.003,  -0.041)  ( -0.080,  -0.003,  -0.041)  ( 0.00,  0.00,  0.00)
168: 11       ( -0.026,  -0.445,  -0.490)  ( -0.012,  -0.431,  -0.525)  ( 0.04,  0.66,  1.67)
168:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
168:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
168:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
168:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
168:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
168:     electro (  0.189,   0.026,   0.145)  (  0.189,   0.026,   0.145)  ( 0.00,  0.00,  0.00)
168: 12       (  0.717,  -9.657,   1.652)  (  0.730,  -9.654,   1.624)  ( 0.90,  0.03,  1.69)
168:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
168:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
168:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
168:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
168:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
168:     electro (  0.012,  -0.260,   0.065)  (  0.012,  -0.260,   0.065)  ( 0.00,  0.00,  0.00)
168: 13       (  2.460,  -6.087,   1.095)  (  2.467,  -6.080,   1.098)  ( 0.27,  0.12,  0.31)
168:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
168:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
168:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
168:     electro (  0.099,   0.153,  -0.002)  (  0.099,   0.153,  -0.002)  ( 0.00,  0.00,  0.00)
168: 14       ( -0.730,  -2.358,   0.160)  ( -0.723,  -2.352,   0.165)  ( 0.49,  0.28,  0.07)
168:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
168:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
168:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
168:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.202,   0.073,  -0.025)  ( -0.202,   0.073,  -0.025)  ( 0.00,  0.00,  0.00)
168: 15       (  2.261,  -0.162,   0.226)  (  2.268,  -0.156,   0.225)  ( 0.30,  0.10,  0.02)
168:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
168:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
168:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
168:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
168:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
168:     electro (  0.256,  -0.023,   0.038)  (  0.256,  -0.023,   0.038)  ( 0.00,  0.00,  0.00)
168: 16       ( 12.486,   1.008,   1.043)  ( 12.490,   1.019,   1.066)  ( 0.04,  1.05,  2.16)
168:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
168:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
168:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
168:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
168:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.038,   0.307,  -0.033)  ( -0.038,   0.307,  -0.033)  ( 0.00,  0.00,  0.00)
168: 17       (-13.149,  41.872,  -7.596)  (-13.137,  41.873,  -7.641)  ( 0.08,  0.00,  0.59)
168:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
168:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
168:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
168:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
168:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.100,  -0.286,  -0.023)  ( -0.100,  -0.286,  -0.023)  ( 0.00,  0.00,  0.00)
168: 18       ( 44.495,  -1.551,   2.301)  ( 44.490,  -1.525,   2.423)  ( 0.01,  1.69,  5.31)
168:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
168:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
168:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
168:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
168:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.078,   0.101,  -0.023)  ( -0.078,   0.101,  -0.023)  ( 0.00,  0.00,  0.00)
168: 19       ( 69.047,  18.195,  -0.422)  ( 69.073,  18.159,  -0.719)  ( 0.04,  0.20, 12.52)
168:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
168:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
168:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
168:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
168:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
168:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.186,  -0.044,   0.051)  ( -0.186,  -0.044,   0.051)  ( 0.00,  0.00,  0.00)
168: 20       (-66.666,   1.027,  -3.814)  (-66.673,   1.059,  -3.645)  ( 0.01,  3.11,  4.42)
168:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
168:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
168:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
168:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
168:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
168:     electro (  0.371,  -0.228,   0.325)  (  0.371,  -0.228,   0.325)  ( 0.00,  0.00,  0.00)
168: 21       (-41.992, -33.111,   1.581)  (-41.994, -33.087,   1.701)  ( 0.00,  0.07,  7.60)
168:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
168:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
168:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
168:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
168:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
168:     electro ( -1.339,  -0.127,   0.128)  ( -1.339,  -0.127,   0.128)  ( 0.00,  0.00,  0.00)
168: 22       (-10.516,   3.652,  -0.202)  (-10.513,   3.656,  -0.202)  ( 0.02,  0.11,  0.01)
168:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
168:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
168:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
168:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
168:     electro (  2.494,  -0.076,  -0.023)  (  2.494,  -0.076,  -0.023)  ( 0.00,  0.00,  0.00)
168: 23       (  1.691,   0.137,   0.101)  (  1.691,   0.137,   0.111)  ( 0.01,  0.00,  0.10)
168:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
168:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
168:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
168:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.200,  -0.165,  -0.054)  ( -0.200,  -0.165,  -0.054)  ( 0.00,  0.00,  0.00)
168: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
168:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
168:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
168:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
168:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
168:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
168:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
168:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
168:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
168:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
168:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
168:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
168:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
168:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
168:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
168:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
168:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
168:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
168:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
168:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
168:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
168:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
168:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
168:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
168:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
168:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
168:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
168:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
168:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
168:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
168:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
168:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
168:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 35       (  1.245,  -1.321,   0.243)  (  1.246,  -1.318,   0.245)  ( 0.14,  0.22,  0.04)
168:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
168:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
168:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
168:     electro (  0.168,   0.031,   0.005)  (  0.168,   0.031,   0.005)  ( 0.00,  0.00,  0.00)
168: 36       ( -2.391,   0.421,  -0.415)  ( -2.388,   0.421,  -0.415)  ( 0.15,  0.03,  0.01)
168:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
168:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
168:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
168:     electro (  0.194,  -0.038,   0.022)  (  0.194,  -0.038,   0.022)  ( 0.00,  0.00,  0.00)
168: 37       ( -1.434,   2.065,  -0.475)  ( -1.433,   2.068,  -0.473)  ( 0.07,  0.16,  0.09)
168:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
168:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
168:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.004,  -0.149,   0.017)  ( -0.004,  -0.149,   0.017)  ( 0.00,  0.00,  0.00)
168: 38       (  1.261,  -0.145,   0.322)  (  1.263,  -0.142,   0.326)  ( 0.13,  0.04,  0.10)
168:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
168:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
168:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.324,   0.454,  -0.114)  ( -0.324,   0.454,  -0.114)  ( 0.00,  0.00,  0.00)
168: 39       (  8.893, -15.193,   1.966)  (  8.900, -15.196,   1.907)  ( 0.09,  0.02,  2.99)
168:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
168:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
168:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
168:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.565,   0.871,  -0.073)  ( -1.565,   0.871,  -0.073)  ( 0.00,  0.00,  0.00)
168: ok 28 # gradients 
168: ok 29 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       (-37.071, -81.376,  -8.715)  (-37.065, -81.370,  -8.711)  ( 0.01,  0.01,  0.06)
168:     bond    ( -6.927,  -6.224,   0.204)  ( -6.923,  -6.219,   0.208)  ( 0.06,  0.08,  0.07)
168:     angle   (-43.402, -92.594,  -5.039)  (-43.401, -92.592,  -5.037)  ( 0.00,  0.00,  0.03)
168:     strbnd  ( 17.017,  19.808,  -1.013)  ( 17.017,  19.807,  -1.014)  ( 0.00,  0.00,  0.03)
168:     torsion ( -0.140,   0.089,  -0.286)  ( -0.140,   0.089,  -0.286)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.619,  -2.454,  -2.581)  ( -3.619,  -2.454,  -2.581)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  2       (-39.440,   2.545,  50.699)  (-39.434,   2.550,  50.705)  ( 0.01,  0.18,  0.01)
168:     bond    (  2.221,   0.743,  -4.295)  (  2.225,   0.746,  -4.291)  ( 0.19,  0.23,  0.10)
168:     angle   (-30.186,   6.101,  43.460)  (-30.184,   6.103,  43.462)  ( 0.01,  0.03,  0.00)
168:     strbnd  ( -8.549,  -6.318,  14.014)  ( -8.550,  -6.318,  14.014)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.634,  -0.131,  -0.999)  ( -0.634,  -0.131,  -0.999)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.292,   2.150,  -1.482)  ( -2.292,   2.150,  -1.482)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  3       ( -1.269,  40.025, -47.383)  ( -1.404,  39.151, -47.725)  (10.68,  2.19,  0.72)
168:     bond    ( -0.509,   0.513,  -6.367)  ( -0.504,   0.517,  -6.364)  ( 0.25,  0.20,  0.05)
168:     angle   ( 13.510,  14.854, -42.989)  ( 13.512,  14.856, -42.987)  ( 0.01,  0.01,  0.00)
168:     strbnd  (-14.490,   2.857,  -6.469)  (-14.491,   2.857,  -6.469)  ( 0.01,  0.01,  0.01)
168:     torsion (  0.820,  13.476,   6.086)  (  0.820,  13.476,   6.086)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.965,   7.596,   5.726)  ( -1.106,   6.716,   5.379)  (13.62, 11.59,  6.06)
168:     vdw     (  0.470,   0.645,  -3.276)  (  0.471,   0.645,  -3.276)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.106,   0.085,  -0.093)  ( -0.106,   0.085,  -0.093)  ( 0.00,  0.00,  0.00)
168:  4       ( -3.751,  47.995,  62.741)  ( -3.746,  48.001,  62.747)  ( 0.14,  0.01,  0.01)
168:     bond    ( -1.086,   2.486,   9.511)  ( -1.082,   2.490,   9.516)  ( 0.33,  0.17,  0.05)
168:     angle   ( -4.863,  51.765,  70.840)  ( -4.861,  51.767,  70.842)  ( 0.04,  0.00,  0.00)
168:     strbnd  (  4.026, -10.734, -19.678)  (  4.025, -10.735, -19.679)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.144,   0.700,  -0.367)  (  0.144,   0.700,  -0.367)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.972,   3.779,   2.435)  ( -1.972,   3.779,   2.435)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  5       (-38.552, -131.229, -55.358)  (-37.756, -128.992, -53.392)  ( 2.07,  1.70,  3.55)
168:     bond    (  8.677, -20.361, -12.122)  (  8.681, -20.358, -12.120)  ( 0.05,  0.02,  0.02)
168:     angle   (-36.816, -71.485,  11.280)  (-36.815, -71.484,  11.281)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( 12.873,  -5.181,   7.752)  ( 12.873,  -5.181,   7.752)  ( 0.00,  0.00,  0.01)
168:     torsion (-12.225, -29.725, -36.119)  (-12.225, -29.725, -36.119)  ( 0.00,  0.00,  0.00)
168:     oop     ( -5.173, -18.341, -24.805)  ( -4.382, -16.108, -22.842)  (15.29, 12.17,  7.91)
168:     vdw     ( -5.982,  13.988,  -1.401)  ( -5.982,  13.988,  -1.401)  ( 0.00,  0.00,  0.00)
168:     electro (  0.094,  -0.124,   0.056)  (  0.094,  -0.124,   0.056)  ( 0.00,  0.00,  0.00)
168:  6       ( 59.731,  60.969,  24.972)  ( 58.945,  59.687,  24.144)  ( 1.32,  2.10,  3.32)
168:     bond    ( -6.489, -13.464,  18.197)  ( -6.484, -13.459,  18.199)  ( 0.07,  0.03,  0.01)
168:     angle   ( 37.474,  50.266, -17.881)  ( 37.475,  50.267, -17.880)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( -3.586,  -8.839,   8.084)  ( -3.586,  -8.840,   8.084)  ( 0.01,  0.00,  0.00)
168:     torsion ( 14.651,  15.387,  15.614)  ( 14.652,  15.387,  15.614)  ( 0.00,  0.00,  0.00)
168:     oop     (  6.902,   8.223,   9.114)  (  6.110,   6.936,   8.282)  (11.47, 15.66,  9.13)
168:     vdw     ( 10.851,   9.567,  -8.214)  ( 10.851,   9.567,  -8.214)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.073,  -0.171,   0.058)  ( -0.073,  -0.171,   0.058)  ( 0.00,  0.00,  0.00)
168:  7       (-98.469, -30.215,   3.140)  (-97.137, -30.467,   3.742)  ( 1.35,  0.83, 19.15)
168:     bond    (-36.725,  -4.863,   0.794)  (-36.719,  -4.859,   0.795)  ( 0.01,  0.08,  0.10)
168:     angle   (-40.863, -11.120,  -0.055)  (-40.862, -11.119,  -0.054)  ( 0.00,  0.01,  0.00)
168:     strbnd  (-15.761, -19.921,  -0.231)  (-15.761, -19.921,  -0.231)  ( 0.00,  0.00,  0.00)
168:     torsion (-16.151,  -0.989,   6.996)  (-16.151,  -0.989,   6.996)  ( 0.00,  0.00,  0.01)
168:     oop     ( -6.016,   1.821,   0.042)  ( -4.691,   1.564,   0.642)  (22.03, 14.13,  2.51)
168:     vdw     ( 17.210,   4.832,  -4.353)  ( 17.210,   4.832,  -4.353)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.162,   0.025,  -0.053)  ( -0.162,   0.025,  -0.053)  ( 0.00,  0.00,  0.00)
168:  8       ( 43.352, -30.505,  99.229)  ( 42.057, -30.082,  96.879)  ( 2.99,  1.39,  2.37)
168:     bond    (  0.216,  13.908,  14.316)  (  0.219,  13.913,  14.318)  ( 0.06,  0.04,  0.01)
168:     angle   ( 11.911, -57.274,  71.476)  ( 11.912, -57.273,  71.477)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( 12.084,  27.937,   5.019)  ( 12.083,  27.936,   5.019)  ( 0.00,  0.00,  0.00)
168:     torsion (  3.830,   0.035,  -3.860)  (  3.830,   0.035,  -3.861)  ( 0.00,  0.00,  0.00)
168:     oop     (  8.502,  -2.885,  10.470)  (  7.204,  -2.469,   8.117)  (15.27, 14.44, 22.47)
168:     vdw     (  7.198, -12.680,   2.190)  (  7.198, -12.679,   2.190)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.389,   0.454,  -0.382)  ( -0.389,   0.454,  -0.382)  ( 0.00,  0.00,  0.00)
168:  9       ( 32.784,  53.653, -118.720)  ( 32.158,  52.563, -117.998)  ( 1.91,  2.03,  0.61)
168:     bond    ( 10.817,   9.746, -28.895)  ( 10.820,   9.748, -28.889)  ( 0.03,  0.02,  0.02)
168:     angle   ( 35.048,  51.699, -72.855)  ( 35.049,  51.701, -72.854)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  0.568,  -4.532,  -8.148)  (  0.567,  -4.532,  -8.148)  ( 0.01,  0.00,  0.00)
168:     torsion ( -4.728,  -6.617, -17.279)  ( -4.728,  -6.618, -17.279)  ( 0.00,  0.01,  0.00)
168:     oop     (  1.204,   5.714,  -4.530)  (  0.573,   4.622,  -3.815)  (52.37, 19.12, 15.77)
168:     vdw     (-10.056,  -2.512,  13.221)  (-10.056,  -2.512,  13.222)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.068,   0.155,  -0.235)  ( -0.068,   0.155,  -0.235)  ( 0.00,  0.00,  0.00)
168: 10       ( -2.856, -19.715, 132.354)  ( -2.826, -20.000, 130.748)  ( 1.05,  1.45,  1.21)
168:     bond    ( 18.269,   6.335,   0.967)  ( 18.273,   6.339,   0.970)  ( 0.02,  0.07,  0.23)
168:     angle   (-27.608, -36.500,  84.948)  (-27.607, -36.499,  84.949)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( 12.909,   2.314,  -3.833)  ( 12.909,   2.313,  -3.833)  ( 0.00,  0.02,  0.00)
168:     torsion (  5.991,   6.815,  25.602)  (  5.992,   6.815,  25.602)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.582,   4.956,  14.815)  (  0.605,   4.666,  13.205)  ( 1.37,  5.85, 10.86)
168:     vdw     (-13.143,  -3.558,   9.953)  (-13.143,  -3.558,   9.953)  ( 0.00,  0.00,  0.00)
168:     electro (  0.145,  -0.076,  -0.098)  (  0.145,  -0.076,  -0.098)  ( 0.00,  0.00,  0.00)
168: 11       ( 47.621, -23.666, -61.746)  ( 37.332, -24.369, -53.148)  (21.61,  2.97, 13.92)
168:     bond    (-11.073,   2.546,  -4.952)  (-11.069,   2.550,  -4.949)  ( 0.04,  0.18,  0.08)
168:     angle   ( 14.987, -10.150, -58.721)  ( 14.989, -10.148, -58.720)  ( 0.01,  0.02,  0.00)
168:     strbnd  ( 17.268, -10.877,  11.808)  ( 17.267, -10.878,  11.807)  ( 0.00,  0.01,  0.01)
168:     torsion (  6.129,   3.198,  15.790)  (  6.129,   3.198,  15.790)  ( 0.00,  0.00,  0.00)
168:     oop     ( 18.909,  -6.132, -23.821)  (  8.614,  -6.841, -15.228)  (54.44, 11.57, 36.07)
168:     vdw     (  1.389,  -2.494,  -1.281)  (  1.389,  -2.494,  -1.281)  ( 0.00,  0.00,  0.00)
168:     electro (  0.012,   0.244,  -0.569)  (  0.012,   0.244,  -0.569)  ( 0.00,  0.00,  0.00)
168: 12       ( 31.693, -14.126, -65.659)  ( 31.699, -14.121, -65.654)  ( 0.02,  0.04,  0.01)
168:     bond    (  4.025,  -3.189,  -9.311)  (  4.029,  -3.185,  -9.307)  ( 0.10,  0.12,  0.05)
168:     angle   ( 35.137, -10.001, -64.710)  ( 35.139, -10.000, -64.708)  ( 0.01,  0.02,  0.00)
168:     strbnd  ( -5.006,   4.101,  11.332)  ( -5.006,   4.101,  11.331)  ( 0.01,  0.01,  0.01)
168:     torsion ( -2.865,  -1.801,  -0.962)  ( -2.865,  -1.801,  -0.962)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.401,  -3.237,  -2.009)  (  0.401,  -3.237,  -2.009)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 13       (-44.134, -77.724, 137.267)  (-23.402, -75.683, 122.411)  (46.97,  2.63, 10.82)
168:     bond    ( -2.460,   4.359,  -8.933)  ( -2.456,   4.363,  -8.924)  ( 0.18,  0.08,  0.10)
168:     angle   ( 29.524, -109.944, 134.355)  ( 29.525, -109.943, 134.355)  ( 0.00,  0.00,  0.00)
168:     strbnd  (-14.951,  10.444, -24.236)  (-14.952,  10.444, -24.237)  ( 0.01,  0.01,  0.01)
168:     torsion (  1.176,  -3.022,  -8.395)  (  1.176,  -3.022,  -8.396)  ( 0.06,  0.00,  0.01)
168:     oop     (-59.918,  23.973,  41.115)  (-39.191,  26.010,  26.252)  (34.59,  8.49, 36.15)
168:     vdw     (  2.638,  -3.488,   3.777)  (  2.638,  -3.488,   3.777)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.142,  -0.047,  -0.416)  ( -0.142,  -0.047,  -0.416)  ( 0.00,  0.00,  0.00)
168: 14       (-74.159,  -4.011, -45.310)  (-74.368,  -3.653, -44.962)  ( 0.28,  8.92,  0.77)
168:     bond    (  2.608,   8.877,  -3.192)  (  2.609,   8.883,  -3.190)  ( 0.05,  0.08,  0.06)
168:     angle   (-96.717,  12.033, -55.420)  (-96.718,  12.033, -55.421)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( -4.852, -11.840,   5.276)  ( -4.852, -11.840,   5.276)  ( 0.00,  0.00,  0.00)
168:     torsion ( 10.732,   0.866,  11.025)  ( 10.727,   0.866,  11.022)  ( 0.04,  0.00,  0.03)
168:     oop     ( 12.415, -11.706,  -6.666)  ( 12.210, -11.356,  -6.316)  ( 1.65,  3.00,  5.26)
168:     vdw     (  1.533,  -1.793,   3.152)  (  1.533,  -1.793,   3.152)  ( 0.00,  0.00,  0.00)
168:     electro (  0.122,  -0.447,   0.515)  (  0.122,  -0.447,   0.515)  ( 0.00,  0.00,  0.00)
168: 15       ( 72.737, 109.579, -59.037)  ( 62.796, 108.005, -52.228)  (13.67,  1.44, 11.53)
168:     bond    (  2.268,   0.918,   3.526)  (  2.270,   0.919,   3.532)  ( 0.12,  0.04,  0.18)
168:     angle   ( 44.112, 114.284, -58.082)  ( 44.112, 114.285, -58.082)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  4.938,   2.167,   7.080)  (  4.938,   2.167,   7.080)  ( 0.01,  0.01,  0.00)
168:     torsion ( -3.970,   1.783,   2.088)  ( -3.970,   1.783,   2.088)  ( 0.00,  0.00,  0.00)
168:     oop     ( 25.969,  -6.898, -14.899)  ( 16.024,  -8.474,  -8.097)  (38.29, 22.85, 45.66)
168:     vdw     (  0.595,  -0.501,   0.672)  (  0.595,  -0.501,   0.672)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.174,  -2.174,   0.579)  ( -1.174,  -2.174,   0.579)  ( 0.00,  0.00,  0.00)
168: 16       ( 10.862,  32.599,  -5.193)  ( 10.865,  32.600,  -5.193)  ( 0.03,  0.00,  0.01)
168:     bond    ( 12.564,  -2.116,  -0.282)  ( 12.567,  -2.116,  -0.282)  ( 0.02,  0.01,  0.00)
168:     angle   (  5.837,  35.355,  -5.146)  (  5.837,  35.356,  -5.145)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( -6.059,   0.924,   0.108)  ( -6.059,   0.924,   0.108)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.025,   0.048,   0.772)  (  0.025,   0.048,   0.772)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.506,  -1.612,  -0.646)  ( -1.506,  -1.612,  -0.646)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 17       ( 23.103,  21.401, -13.776)  ( 23.104,  21.402, -13.774)  ( 0.00,  0.01,  0.01)
168:     bond    (  0.013,   7.722,   8.189)  (  0.013,   7.723,   8.191)  ( 0.00,  0.02,  0.02)
168:     angle   ( 23.319,  18.754, -17.721)  ( 23.319,  18.754, -17.721)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( -0.112,  -4.214,  -4.433)  ( -0.112,  -4.214,  -4.433)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.254,  -0.191,   0.179)  (  0.254,  -0.191,   0.179)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.370,  -0.670,   0.010)  ( -0.370,  -0.670,   0.010)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 18       ( 33.905,  23.432,  15.855)  ( 33.905,  23.433,  15.857)  ( 0.00,  0.01,  0.01)
168:     bond    (  0.412,   8.070,  -8.784)  (  0.412,   8.072,  -8.782)  ( 0.00,  0.02,  0.02)
168:     angle   ( 35.086,  20.894,  20.850)  ( 35.086,  20.894,  20.850)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( -0.271,  -3.980,   4.289)  ( -0.271,  -3.980,   4.289)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.050,  -0.044,  -0.038)  (  0.050,  -0.044,  -0.038)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.372,  -1.509,  -0.461)  ( -1.372,  -1.509,  -0.461)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 19       (  7.842,  13.549,  15.910)  (  7.843,  13.550,  15.912)  ( 0.01,  0.01,  0.01)
168:     bond    (  4.298,  -5.557,  10.878)  (  4.298,  -5.556,  10.880)  ( 0.01,  0.01,  0.02)
168:     angle   (  5.140,  17.037,   6.669)  (  5.140,  17.038,   6.669)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( -0.222,   0.518,  -1.052)  ( -0.222,   0.518,  -1.052)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.333,  -0.021,  -0.143)  (  0.333,  -0.021,  -0.143)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.708,   1.572,  -0.443)  ( -1.707,   1.572,  -0.443)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 20       ( 24.224,   9.746,   3.735)  ( 24.225,   9.747,   3.737)  ( 0.00,  0.01,  0.06)
168:     bond    (  0.205,   8.145,  12.537)  (  0.205,   8.145,  12.539)  ( 0.00,  0.01,  0.02)
168:     angle   ( 25.409,   2.588,  -2.097)  ( 25.410,   2.588,  -2.096)  ( 0.00,  0.01,  0.01)
168:     strbnd  ( -0.027,  -1.112,  -1.794)  ( -0.027,  -1.112,  -1.794)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.559,  -0.957,   0.631)  ( -0.559,  -0.957,   0.631)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.804,   1.083,  -5.542)  ( -0.804,   1.083,  -5.542)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 21       (-14.013,  -5.680, -13.049)  (-14.012,  -5.678, -13.048)  ( 0.01,  0.05,  0.00)
168:     bond    ( -4.768, -11.721,   2.019)  ( -4.767, -11.719,   2.019)  ( 0.01,  0.02,  0.01)
168:     angle   ( -9.742,   1.595, -13.739)  ( -9.741,   1.596, -13.738)  ( 0.01,  0.01,  0.00)
168:     strbnd  (  0.618,   1.701,  -0.398)  (  0.618,   1.701,  -0.398)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.143,   0.073,   0.763)  (  0.143,   0.073,   0.763)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.264,   2.671,  -1.694)  ( -0.263,   2.671,  -1.694)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 22       (-11.466, -17.731, -34.136)  (-11.464, -17.730, -34.135)  ( 0.02,  0.00,  0.00)
168:     bond    ( 10.515,  -3.031,  -3.787)  ( 10.517,  -3.031,  -3.787)  ( 0.02,  0.01,  0.01)
168:     angle   (-17.099, -17.314, -33.631)  (-17.099, -17.314, -33.630)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( -4.687,   1.352,   1.833)  ( -4.687,   1.352,   1.833)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.036,  -0.401,   0.221)  ( -0.036,  -0.401,   0.221)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.159,   1.663,   1.228)  ( -0.159,   1.663,   1.228)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 23       (  9.654, -14.702, -18.379)  (  9.655, -14.701, -18.377)  ( 0.01,  0.01,  0.01)
168:     bond    ( -3.691,   5.903, -11.062)  ( -3.691,   5.904, -11.060)  ( 0.01,  0.01,  0.02)
168:     angle   ( 12.954, -19.869, -14.929)  ( 12.955, -19.869, -14.929)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  1.489,  -2.332,   4.677)  (  1.489,  -2.332,   4.677)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.247,  -0.126,   0.015)  ( -0.247,  -0.126,   0.015)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.851,   1.721,   2.920)  ( -0.851,   1.721,   2.920)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 24       ( 14.540,  -7.004, -26.289)  ( 14.541,  -7.001, -26.288)  ( 0.01,  0.04,  0.00)
168:     bond    ( -4.182,  -9.280,  -1.526)  ( -4.182,  -9.277,  -1.526)  ( 0.01,  0.03,  0.01)
168:     angle   ( 17.244,  -3.364, -26.810)  ( 17.244,  -3.364, -26.810)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  2.112,   4.668,   0.929)  (  2.112,   4.668,   0.929)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.199,  -0.107,   0.107)  (  0.199,  -0.107,   0.107)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.832,   1.079,   1.011)  ( -0.832,   1.079,   1.011)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 25       ( -2.164,  11.131,  -4.375)  ( -2.098,  11.194,  -4.198)  ( 3.06,  0.57,  4.03)
168:     bond    ( -0.517,  -0.905,   0.501)  ( -0.517,  -0.903,   0.502)  ( 0.04,  0.21,  0.04)
168:     angle   ( -5.394,   1.536,  -2.786)  ( -5.394,   1.537,  -2.786)  ( 0.01,  0.01,  0.00)
168:     strbnd  (  4.247,   7.387,  -3.525)  (  4.247,   7.387,  -3.525)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.245,   2.897,   3.928)  ( -1.245,   2.897,   3.928)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.602,  -0.657,  -1.800)  ( -0.537,  -0.596,  -1.625)  ( 3.91,  3.97,  9.75)
168:     vdw     (  1.342,   0.777,  -0.631)  (  1.342,   0.777,  -0.631)  ( 0.00,  0.00,  0.00)
168:     electro (  0.006,   0.097,  -0.061)  (  0.006,   0.097,  -0.061)  ( 0.00,  0.00,  0.00)
168: 26       (  7.727,  -9.491, -15.626)  (  7.376,  -9.247, -15.019)  ( 4.55,  2.57,  3.89)
168:     bond    (  0.510,   0.130,   0.247)  (  0.513,   0.130,   0.248)  ( 0.15,  0.00,  0.02)
168:     angle   ( -0.687,  -4.473,   3.772)  ( -0.687,  -4.472,   3.772)  ( 0.00,  0.01,  0.00)
168:     strbnd  ( -3.764,  -0.803,  -0.766)  ( -3.764,  -0.803,  -0.766)  ( 0.00,  0.00,  0.01)
168:     torsion (  8.777,  -3.424, -16.387)  (  8.777,  -3.424, -16.387)  ( 0.00,  0.00,  0.00)
168:     oop     (  1.606,  -0.922,  -2.844)  (  1.252,  -0.679,  -2.237)  (22.07, 22.40, 21.34)
168:     vdw     (  1.106,  -0.058,   0.139)  (  1.106,  -0.058,   0.139)  ( 0.00,  0.00,  0.00)
168:     electro (  0.179,   0.059,   0.214)  (  0.179,   0.059,   0.214)  ( 0.00,  0.00,  0.00)
168: 27       (-10.244,  -1.168,  -0.252)  ( -9.709,  -0.459,  -0.350)  ( 5.21, 60.69,  2.46)
168:     bond    ( -0.257,   0.039,  -1.081)  ( -0.257,   0.039,  -1.078)  ( 0.01,  0.00,  0.33)
168:     angle   ( -2.751,   5.638,   0.859)  ( -2.751,   5.638,   0.859)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( -0.092,   0.684,  -4.568)  ( -0.092,   0.685,  -4.568)  ( 0.00,  0.00,  0.00)
168:     torsion ( -4.710,  -4.641,   0.953)  ( -4.710,  -4.641,   0.953)  ( 0.00,  0.00,  0.00)
168:     oop     ( -2.117,  -3.288,   0.385)  ( -1.584,  -2.580,   0.284)  (25.20, 21.55,  3.90)
168:     vdw     ( -0.554,   0.339,   2.803)  ( -0.554,   0.339,   2.803)  ( 0.00,  0.00,  0.00)
168:     electro (  0.238,   0.061,   0.396)  (  0.238,   0.061,   0.396)  ( 0.00,  0.00,  0.00)
168: 28       (-35.334,  35.042, -12.778)  (-35.136,  35.088, -12.476)  ( 0.56,  0.13,  2.36)
168:     bond    ( -0.608,  -0.110,   0.410)  ( -0.606,  -0.110,   0.411)  ( 0.16,  0.00,  0.05)
168:     angle   (-20.084,  33.989, -20.477)  (-20.083,  33.989, -20.477)  ( 0.00,  0.00,  0.00)
168:     strbnd  (-11.144,  -1.712,   8.116)  (-11.144,  -1.712,   8.116)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.403,   5.730,  -0.531)  ( -1.403,   5.730,  -0.531)  ( 0.00,  0.00,  0.00)
168:     oop     ( -1.298,  -1.456,  -2.303)  ( -1.102,  -1.410,  -2.002)  (15.09,  3.14, 13.07)
168:     vdw     ( -0.679,  -1.424,   2.000)  ( -0.679,  -1.424,   2.000)  ( 0.00,  0.00,  0.00)
170:     bond    (  4.852,   7.538, -18.762)  (  4.853,   7.540, -18.751)  ( 0.02,  0.03,  0.06)
170:     angle   ( 17.637,  -2.460,   3.577)  ( 17.641,  -2.458,   3.577)  ( 0.02,  0.08,  0.02)
170:     torsion ( -2.872,   1.678,  -0.068)  ( -2.872,   1.678,  -0.068)  ( 0.01,  0.02,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-11.178,  -3.161,   1.263)  (-11.178,  -3.161,   1.263)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 36       ( 13.034,   2.868,   7.553)  ( 13.047,   2.872,   7.558)  ( 0.11,  0.11,  0.06)
170:     bond    ( 19.930,  -1.163,  -2.917)  ( 19.944,  -1.163,  -2.916)  ( 0.07,  0.01,  0.01)
170:     angle   ( -0.525,   7.456,  -6.566)  ( -0.525,   7.459,  -6.563)  ( 0.00,  0.03,  0.06)
170:     torsion (  0.113,  -3.557,   2.187)  (  0.113,  -3.556,   2.187)  ( 0.00,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -6.484,   0.132,  14.849)  ( -6.484,   0.132,  14.849)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 37       (  7.808,   6.534,   2.461)  (  7.812,   6.547,   2.466)  ( 0.05,  0.20,  0.20)
170:     bond    ( -5.121,  18.462,  -2.248)  ( -5.120,  18.475,  -2.248)  ( 0.02,  0.07,  0.01)
170:     angle   ( 12.554,   2.071, -11.579)  ( 12.556,   2.071, -11.575)  ( 0.02,  0.01,  0.03)
170:     torsion (  8.704,   1.762,  -5.344)  (  8.705,   1.762,  -5.344)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.328, -15.761,  21.633)  ( -8.328, -15.761,  21.633)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 38       (  4.689,   1.345,  14.511)  (  4.695,   1.349,  14.523)  ( 0.11,  0.32,  0.08)
170:     bond    ( -4.521,  -7.164,  18.317)  ( -4.520,  -7.162,  18.328)  ( 0.02,  0.03,  0.06)
170:     angle   ( -8.158,   5.530,   0.150)  ( -8.155,   5.532,   0.151)  ( 0.04,  0.04,  0.01)
170:     torsion (  2.436,  -2.304,  -0.299)  (  2.436,  -2.304,  -0.299)  ( 0.01,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 14.933,   5.283,  -3.657)  ( 14.933,   5.283,  -3.657)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 39       ( -0.359,   4.608,   8.965)  ( -0.353,   4.620,   8.968)  ( 0.21,  0.28,  0.03)
170:     bond    ( -6.686,  18.075,  -0.977)  ( -6.685,  18.088,  -0.977)  ( 0.03,  0.07,  0.01)
170:     angle   (-13.717,  -4.486,  10.782)  (-13.713,  -4.486,  10.784)  ( 0.02,  0.01,  0.02)
170:     torsion ( -5.879,  -1.787,   7.143)  ( -5.879,  -1.787,   7.143)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 25.924,  -7.195,  -7.982)  ( 25.924,  -7.195,  -7.982)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 40       (-15.640,  -4.131,   5.459)  (-15.626,  -4.128,   5.464)  ( 0.09,  0.07,  0.09)
170:     bond    (-20.987,   1.060,   3.290)  (-20.973,   1.060,   3.290)  ( 0.06,  0.01,  0.01)
170:     angle   (  1.888,  -7.800,  14.544)  (  1.888,  -7.797,  14.548)  ( 0.01,  0.03,  0.03)
170:     torsion ( -0.238,   1.144,  -1.889)  ( -0.238,   1.144,  -1.888)  ( 0.00,  0.04,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  3.698,   1.465, -10.486)  (  3.698,   1.466, -10.486)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 41       ( -2.868,  -8.359,   8.203)  ( -2.864,  -8.346,   8.208)  ( 0.14,  0.16,  0.06)
170:     bond    (  5.462, -18.914,   2.362)  (  5.463, -18.901,   2.362)  ( 0.02,  0.07,  0.01)
170:     angle   (-11.884,  -1.457,  15.815)  (-11.882,  -1.457,  15.819)  ( 0.02,  0.01,  0.02)
170:     torsion ( -6.481,  -1.186,   5.499)  ( -6.480,  -1.186,   5.499)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 10.035,  13.198, -15.473)  ( 10.035,  13.198, -15.472)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 42       (  2.797,   3.776,   4.300)  (  2.801,   3.789,   4.303)  ( 0.13,  0.35,  0.08)
170:     bond    ( -3.557,  12.409,  -0.546)  ( -3.556,  12.422,  -0.546)  ( 0.03,  0.10,  0.00)
170:     angle   ( 17.083,   5.825,  21.266)  ( 17.086,   5.825,  21.269)  ( 0.01,  0.00,  0.01)
170:     torsion ( -0.038,  -0.009,   0.033)  ( -0.038,  -0.009,   0.033)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.691, -14.448, -16.454)  (-10.691, -14.448, -16.453)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 43       (  8.026,   3.053,   2.790)  (  8.040,   3.056,   2.793)  ( 0.17,  0.09,  0.13)
170:     bond    ( 12.762,  -0.692,  -1.574)  ( 12.775,  -0.692,  -1.574)  ( 0.11,  0.01,  0.02)
170:     angle   (  2.727,   6.099,  19.454)  (  2.727,   6.101,  19.457)  ( 0.00,  0.04,  0.01)
170:     torsion (  0.016,  -0.402,   0.307)  (  0.016,  -0.402,   0.307)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -7.478,  -1.951, -15.397)  ( -7.478,  -1.951, -15.397)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 44       (  1.200,   1.204,   8.941)  (  1.203,   1.208,   8.953)  ( 0.28,  0.36,  0.14)
170:     bond    ( -2.604,  -4.517,  11.804)  ( -2.604,  -4.515,  11.816)  ( 0.02,  0.04,  0.10)
170:     angle   ( 16.627,   9.458,   7.279)  ( 16.629,   9.461,   7.279)  ( 0.01,  0.03,  0.01)
170:     torsion (  0.483,  -0.369,  -0.034)  (  0.483,  -0.369,  -0.034)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-13.306,  -3.369, -10.108)  (-13.306,  -3.369, -10.108)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 45       ( 38.713,  44.328,   7.887)  ( 38.722,  44.347,   7.854)  ( 0.02,  0.04,  0.42)
170:     bond    ( 43.946,  43.820,   9.845)  ( 43.953,  43.828,   9.845)  ( 0.02,  0.02,  0.01)
170:     angle   ( -4.853,   4.607,   1.140)  ( -4.851,   4.609,   1.140)  ( 0.04,  0.04,  0.01)
170:     torsion ( -0.054,   0.616,  -2.505)  ( -0.054,   0.616,  -2.500)  ( 0.00,  0.02,  0.19)
170:     oop     (  0.003,  -0.054,   0.231)  (  0.002,  -0.045,   0.193)  ( 0.00,  0.05,  0.89)
170:     vdw     ( -0.328,  -4.660,  -0.824)  ( -0.328,  -4.660,  -0.824)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 46       (-18.395,  57.830,  23.586)  (-18.389,  57.857,  23.541)  ( 0.03,  0.05,  0.19)
170:     bond    (-10.669,  53.306,  13.917)  (-10.668,  53.320,  13.918)  ( 0.01,  0.03,  0.01)
170:     angle   ( 40.079,   7.653,   1.404)  ( 40.082,   7.653,   1.404)  ( 0.01,  0.00,  0.00)
170:     torsion (  0.080,  -2.491,   9.598)  (  0.080,  -2.490,   9.602)  ( 0.00,  0.01,  0.05)
170:     oop     (  0.007,  -0.087,   0.339)  (  0.006,  -0.074,   0.289)  ( 0.00,  0.11,  1.71)
170:     vdw     (-47.891,  -0.551,  -1.672)  (-47.889,  -0.551,  -1.672)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 47       ( 12.896, -47.842, -29.476)  ( 12.902, -47.867, -29.330)  ( 0.05,  0.05,  0.50)
170:     bond    ( 16.083, -55.844, -15.523)  ( 16.084, -55.831, -15.522)  ( 0.01,  0.02,  0.01)
170:     angle   ( 16.899,   4.635,   0.843)  ( 16.903,   4.635,   0.843)  ( 0.02,  0.01,  0.00)
170:     torsion ( -0.281,   4.759, -17.416)  ( -0.281,   4.760, -17.411)  ( 0.00,  0.01,  0.03)
170:     oop     ( -0.003,   0.252,  -0.909)  ( -0.003,   0.213,  -0.768)  ( 0.00,  0.98, 12.78)
170:     vdw     (-19.802,  -1.643,   3.528)  (-19.801,  -1.643,   3.528)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 48       (-13.369, -21.958,  16.625)  (-13.356, -21.953,  16.629)  ( 0.10,  0.02,  0.02)
170:     bond    (-18.943,  -0.495,   4.460)  (-18.930,  -0.495,   4.461)  ( 0.07,  0.00,  0.02)
170:     angle   (  2.111, -25.347,   6.142)  (  2.111, -25.343,   6.145)  ( 0.01,  0.02,  0.04)
170:     torsion (  2.357,   0.951,  10.106)  (  2.357,   0.952,  10.106)  ( 0.00,  0.04,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.107,   2.933,  -4.084)  (  1.107,   2.933,  -4.084)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 49       (  5.762, -15.925,   9.043)  (  5.768, -15.919,   9.052)  ( 0.11,  0.04,  0.10)
170:     bond    (  1.912,   1.900,   3.242)  (  1.915,   1.902,   3.250)  ( 0.15,  0.15,  0.25)
170:     angle   (-32.893,  -8.313,  24.245)  (-32.891,  -8.310,  24.246)  ( 0.01,  0.04,  0.00)
170:     torsion (  0.587,   3.391,  -2.331)  (  0.588,   3.391,  -2.331)  ( 0.03,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 36.156, -12.903, -16.113)  ( 36.157, -12.903, -16.113)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 50       ( -1.794,  13.571, -14.957)  ( -1.790,  13.584, -14.954)  ( 0.22,  0.09,  0.02)
170:     bond    ( -5.047,  12.898,   0.979)  ( -5.045,  12.910,   0.979)  ( 0.04,  0.09,  0.01)
170:     angle   (  6.345,   3.861, -18.227)  (  6.346,   3.862, -18.224)  ( 0.03,  0.01,  0.01)
170:     torsion ( -2.173,  -0.796,  -0.702)  ( -2.172,  -0.796,  -0.702)  ( 0.02,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.919,  -2.393,   2.993)  ( -0.919,  -2.392,   2.993)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 51       (  5.006,  11.117, -16.029)  (  5.019,  11.120, -16.025)  ( 0.26,  0.02,  0.02)
170:     bond    (  7.392,   0.592,  -2.237)  (  7.405,   0.592,  -2.236)  ( 0.17,  0.01,  0.05)
170:     angle   (-10.078,  18.633, -28.438)  (-10.078,  18.635, -28.435)  ( 0.00,  0.01,  0.01)
170:     torsion (  0.198,   2.152,   1.225)  (  0.198,   2.152,   1.225)  ( 0.00,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  7.494, -10.259,  13.421)  (  7.494, -10.259,  13.422)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 52       (  0.874,   5.631, -19.225)  (  0.880,   5.637, -19.217)  ( 0.47,  0.09,  0.05)
170:     bond    ( -6.958,  -6.497, -10.205)  ( -6.955,  -6.494, -10.198)  ( 0.05,  0.05,  0.07)
170:     angle   (  6.830,  14.880, -14.137)  (  6.831,  14.882, -14.136)  ( 0.02,  0.01,  0.01)
170:     torsion (  0.986,  -0.661,  -0.252)  (  0.986,  -0.661,  -0.252)  ( 0.04,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.017,  -2.090,   5.369)  (  0.017,  -2.090,   5.369)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 53       (162.332, -31.360, 165.767)  (162.312, -31.329, 165.841)  ( 0.01,  0.10,  0.04)
170:     bond    ( 20.228, -169.925,  23.926)  ( 20.227, -169.904,  23.926)  ( 0.00,  0.01,  0.00)
170:     angle   ( 33.422,   5.569,  11.284)  ( 33.427,   5.569,  11.285)  ( 0.01,  0.00,  0.01)
170:     torsion ( 11.888,  -2.850, -30.292)  ( 11.888,  -2.850, -30.287)  ( 0.01,  0.00,  0.01)
170:     oop     (  0.236,  -0.056,  -0.599)  (  0.210,  -0.050,  -0.533)  ( 0.62,  0.03,  3.94)
170:     vdw     ( 96.558, 135.903, 161.448)  ( 96.559, 135.906, 161.451)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 54       (  6.868, -11.480,   4.680)  (  6.872, -11.467,   4.683)  ( 0.07,  0.11,  0.06)
170:     bond    ( -3.346,  -9.614,  -0.475)  ( -3.344,  -9.602,  -0.475)  ( 0.05,  0.13,  0.00)
170:     angle   (  4.186,  -1.551,   1.860)  (  4.189,  -1.551,   1.862)  ( 0.07,  0.02,  0.12)
170:     torsion ( -0.343,   0.074,   0.922)  ( -0.343,   0.074,   0.923)  ( 0.00,  0.00,  0.05)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  6.371,  -0.389,   2.373)  (  6.371,  -0.389,   2.373)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 55       (  3.014,   2.398,  11.667)  (  3.022,   2.404,  11.675)  ( 0.24,  0.24,  0.06)
170:     bond    ( -6.207,   5.487,   6.557)  ( -6.202,   5.491,   6.563)  ( 0.08,  0.07,  0.08)
170:     angle   (  0.093,  -6.009,   5.115)  (  0.096,  -6.008,   5.117)  ( 0.02,  0.02,  0.03)
170:     torsion ( -0.228,  -0.987,   0.610)  ( -0.228,  -0.987,   0.610)  ( 0.00,  0.05,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  9.356,   3.907,  -0.615)  (  9.356,   3.907,  -0.615)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 56       ( 10.342,  -0.931,  -8.154)  ( 10.346,  -0.927,  -8.142)  ( 0.04,  0.42,  0.15)
170:     bond    ( -0.146,   4.226,  -9.796)  ( -0.146,   4.229,  -9.784)  ( 0.00,  0.05,  0.12)
170:     angle   (  3.610,  -6.420,  -2.828)  (  3.614,  -6.418,  -2.828)  ( 0.10,  0.03,  0.01)
170:     torsion (  0.452,  -2.813,  -1.222)  (  0.452,  -2.812,  -1.222)  ( 0.00,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  6.425,   4.075,   5.692)  (  6.425,   4.075,   5.692)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 57       ( -6.624, -14.288,  -2.175)  ( -6.621, -14.278,  -2.169)  ( 0.05,  0.07,  0.31)
170:     bond    (  0.989, -14.292,  -9.940)  (  0.989, -14.283,  -9.936)  ( 0.01,  0.07,  0.05)
170:     angle   (  8.783,   7.248,  -9.549)  (  8.785,   7.249,  -9.547)  ( 0.03,  0.01,  0.02)
170:     torsion ( -9.476,  -9.922,  13.320)  ( -9.476,  -9.922,  13.320)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -6.919,   2.677,   3.994)  ( -6.919,   2.677,   3.994)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 58       (  8.994,  -1.935, -21.348)  (  9.005,  -1.929, -21.345)  ( 0.13,  0.30,  0.01)
170:     bond    ( 12.966,   7.217,  -1.458)  ( 12.977,   7.220,  -1.458)  ( 0.08,  0.05,  0.01)
170:     angle   (  2.755,  -7.423, -12.226)  (  2.756,  -7.421, -12.223)  ( 0.02,  0.03,  0.02)
170:     torsion (  2.153,  -6.788, -14.449)  (  2.153,  -6.787, -14.450)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.881,   5.059,   6.785)  ( -8.881,   5.059,   6.785)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 59       ( -8.671, -11.979,  -0.173)  ( -8.660, -11.973,  -0.169)  ( 0.13,  0.05,  0.06)
170:     bond    (-16.832, -10.136,   1.712)  (-16.822, -10.133,   1.713)  ( 0.06,  0.04,  0.01)
170:     angle   (  6.492,  -9.808,   5.760)  (  6.493,  -9.806,   5.763)  ( 0.01,  0.02,  0.05)
170:     torsion ( -0.020,  -0.277,  -1.833)  ( -0.020,  -0.276,  -1.833)  ( 0.00,  0.02,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.689,   8.241,  -5.813)  (  1.689,   8.241,  -5.813)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 60       (  0.581, -21.765,  10.171)  (  0.590, -21.757,  10.175)  ( 0.53,  0.03,  0.04)
170:     bond    ( 15.609, -12.895,   6.060)  ( 15.617, -12.890,   6.061)  ( 0.05,  0.04,  0.02)
170:     angle   ( -5.964,  -6.114,   2.360)  ( -5.963,  -6.113,   2.363)  ( 0.02,  0.02,  0.12)
170:     torsion ( -8.008,  -7.854,   3.930)  ( -8.008,  -7.853,   3.930)  ( 0.01,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.057,   5.099,  -2.180)  ( -1.057,   5.099,  -2.179)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 61       (  2.912,  13.405,  16.850)  (  2.914,  13.409,  16.863)  ( 0.09,  0.03,  0.08)
170:     bond    ( -1.242,  -3.976,  13.089)  ( -1.242,  -3.975,  13.101)  ( 0.01,  0.03,  0.10)
170:     angle   ( -1.996,  20.852,   6.138)  ( -1.994,  20.855,   6.138)  ( 0.09,  0.01,  0.00)
170:     torsion (  5.685,  -0.198,   0.479)  (  5.686,  -0.198,   0.479)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.465,  -3.273,  -2.855)  (  0.465,  -3.273,  -2.855)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 62       (  0.638,  16.986,   4.348)  (  0.648,  16.991,   4.350)  ( 0.67,  0.04,  0.06)
170:     bond    ( 10.808,   6.980,  -0.988)  ( 10.817,   6.984,  -0.988)  ( 0.09,  0.06,  0.01)
170:     angle   ( -6.882,  12.809,  15.223)  ( -6.881,  12.811,  15.225)  ( 0.01,  0.01,  0.01)
170:     torsion ( -2.284,   2.981,  -3.935)  ( -2.284,   2.981,  -3.935)  ( 0.01,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.004,  -5.785,  -5.952)  ( -1.004,  -5.784,  -5.952)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 63       ( -5.490,  12.050,   9.477)  ( -5.480,  12.057,   9.480)  ( 0.17,  0.06,  0.04)
170:     bond    ( -8.767,   6.776,  -2.293)  ( -8.759,   6.781,  -2.292)  ( 0.10,  0.07,  0.03)
170:     angle   (  5.404,  14.181,  21.304)  (  5.405,  14.183,  21.306)  ( 0.02,  0.01,  0.01)
170:     torsion ( -3.779,  -3.434,   4.280)  ( -3.778,  -3.434,   4.281)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.652,  -5.474, -13.815)  (  1.652,  -5.474, -13.814)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 36 # gradients 
170: 1..36
199/208 Test #162: test_ffgaff_1 ....................   Passed    2.49 sec
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y5f_xwg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y5g_fjd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y5h_y5h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y5k_ycu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y5l_ro8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y60_m8f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y66_n04.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y67_n21.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y68_t04.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y6c_tqi.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y77_cb8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y7x_mza.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y7z_c0z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y81_931.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y88_2er.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y91_98j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yac_937.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yak_osv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yb9_ha0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ybs_s2g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ybt_dw0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ybu_cx9.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yca_zm3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ycf_ycf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ycm_30a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ycn_p61.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ycq_upx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ycr_hcw.sdf
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164:     bond    ( 13.347,   7.815,   1.928)  ( 13.349,   7.816,   1.928)  ( 0.02,  0.01,  0.01)
164:     angle   ( -3.942,   1.678,  20.486)  ( -3.942,   1.679,  20.487)  ( 0.01,  0.03,  0.00)
164:     strbnd  ( -1.485,  -0.391,  -0.372)  ( -1.485,  -0.391,  -0.372)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.296,   0.484,   0.090)  ( -0.296,   0.484,   0.090)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.355,  -4.745,  -4.467)  ( -1.355,  -4.744,  -4.467)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 30       ( -8.350,   0.131,  25.967)  ( -8.349,   0.134,  25.968)  ( 0.01,  0.04,  0.00)
164:     bond    ( -1.481,  11.557,   2.165)  ( -1.481,  11.560,   2.165)  ( 0.01,  0.03,  0.01)
164:     angle   ( -9.788,  -6.150,  26.139)  ( -9.788,  -6.150,  26.139)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  0.626,  -4.365,  -1.021)  (  0.626,  -4.365,  -1.021)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.782,   0.049,   0.957)  (  1.782,   0.049,   0.957)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.511,  -0.961,  -2.273)  (  0.511,  -0.961,  -2.273)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 31       (-14.899,  11.820,  16.748)  (-14.898,  11.820,  16.750)  ( 0.01,  0.01,  0.01)
164:     bond    (  5.176,  -2.757,  10.225)  (  5.177,  -2.757,  10.227)  ( 0.01,  0.01,  0.02)
164:     angle   (-19.241,  13.946,  13.498)  (-19.241,  13.947,  13.498)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( -2.072,   1.072,  -4.471)  ( -2.072,   1.072,  -4.471)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.541,   0.941,  -0.020)  (  0.541,   0.941,  -0.020)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.698,  -1.382,  -2.484)  (  0.698,  -1.382,  -2.484)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 32       ( -4.993,  10.176,  24.023)  ( -4.991,  10.177,  24.024)  ( 0.05,  0.01,  0.00)
164:     bond    (-10.690,  -3.803,   2.337)  (-10.687,  -3.803,   2.338)  ( 0.02,  0.01,  0.01)
164:     angle   (  0.606,  13.614,  24.917)  (  0.606,  13.614,  24.917)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  3.553,   1.168,  -0.972)  (  3.553,   1.168,  -0.972)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.030,   0.061,  -0.037)  ( -0.030,   0.061,  -0.037)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.567,  -0.863,  -2.222)  (  1.567,  -0.863,  -2.222)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 33       ( 19.334, -14.895, -24.368)  ( 19.332, -14.890, -24.369)  ( 0.01,  0.03,  0.00)
164:     bond    ( -4.753, -12.511,   5.560)  ( -4.753, -12.507,   5.561)  ( 0.01,  0.03,  0.01)
164:     angle   ( 21.861, -17.415, -20.481)  ( 21.860, -17.414, -20.482)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  2.809,   8.054,  -3.331)  (  2.809,   8.054,  -3.331)  ( 0.00,  0.00,  0.00)
164:     torsion ( -6.332,  -0.435,  -6.389)  ( -6.334,  -0.435,  -6.390)  ( 0.02,  0.00,  0.02)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.007,   0.074,  -0.052)  (  0.007,   0.074,  -0.052)  ( 0.00,  0.00,  0.00)
164:     electro (  5.743,   7.338,   0.326)  (  5.743,   7.338,   0.326)  ( 0.00,  0.00,  0.00)
164: ok 30 # gradients 
164: ok 31 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
164:  1       ( -0.056,  -0.051,   0.261)  ( -0.002,   0.035,   0.079)  ( 0.30,  0.44,  4.74)
164:     bond    (  6.922,   0.175,   2.287)  (  6.926,   0.180,   2.292)  ( 0.06,  0.08,  0.20)
164:     angle   ( -5.931,   2.410,   0.271)  ( -5.930,   2.412,   0.272)  ( 0.03,  0.08,  0.04)
164:     strbnd  (  0.198,   0.872,   0.213)  (  0.197,   0.872,   0.213)  ( 0.01,  0.04,  0.01)
164:     torsion (  0.668,  -0.373,  -2.325)  (  0.668,  -0.373,  -2.325)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.334,  -0.538,   1.283)  ( -0.285,  -0.457,   1.096)  ( 1.63,  4.32, 14.61)
164:     vdw     ( -0.832,  -1.739,  -0.997)  ( -0.832,  -1.739,  -0.997)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.746,  -0.859,  -0.471)  ( -0.746,  -0.859,  -0.471)  ( 0.00,  0.00,  0.00)
164:  2       (  0.014,   0.361,  -0.764)  ( -0.121,   0.105,  -0.143)  ( 0.18,  9.21, 47.41)
164:     bond    ( -2.739,   1.957,  -0.129)  ( -2.733,   1.965,  -0.128)  ( 0.24,  0.42,  0.02)
164:     angle   ( 14.443,  -7.136,   1.147)  ( 14.446,  -7.134,   1.148)  ( 0.02,  0.02,  0.06)
164:     strbnd  ( -7.334,   6.670,   1.385)  ( -7.335,   6.668,   1.385)  ( 0.01,  0.03,  0.02)
164:     torsion ( -0.037,   0.168,   0.014)  ( -0.037,   0.168,   0.014)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.865,   1.488,  -3.541)  (  0.722,   1.224,  -2.922)  (12.35, 17.72, 17.47)
164:     vdw     ( -4.625,  -1.230,  -1.537)  ( -4.625,  -1.230,  -1.537)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.559,  -1.556,   1.897)  ( -0.559,  -1.556,   1.897)  ( 0.00,  0.00,  0.00)
164:  3       ( -0.029,  -0.024,   0.069)  ( -0.028,  -0.021,   0.070)  ( 0.00,  0.01,  0.00)
164:     bond    (  0.134,   0.394,  -0.032)  (  0.135,   0.397,  -0.032)  ( 0.00,  0.12,  0.00)
164:     angle   (  1.589,  -0.626,  -1.067)  (  1.590,  -0.626,  -1.067)  ( 0.03,  0.00,  0.04)
164:     strbnd  (  0.319,   0.162,   0.070)  (  0.319,   0.162,   0.070)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.341,   0.212,   1.185)  ( -0.341,   0.212,   1.185)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.730,  -0.167,  -0.086)  ( -1.730,  -0.167,  -0.086)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  4       (  0.009,  -0.000,   0.009)  (  0.010,   0.001,   0.011)  ( 0.00,  0.00,  0.00)
164:     bond    (  0.230,  -0.232,  -0.242)  (  0.231,  -0.231,  -0.241)  ( 0.03,  0.03,  0.03)
164:     angle   (  3.596,   2.214,   1.320)  (  3.596,   2.214,   1.320)  ( 0.01,  0.01,  0.02)
164:     strbnd  (  0.657,  -0.379,  -0.320)  (  0.657,  -0.379,  -0.320)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.004,   0.023,  -0.019)  (  0.004,   0.023,  -0.019)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -4.478,  -1.627,  -0.730)  ( -4.478,  -1.627,  -0.730)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  5       ( -0.022,  -0.019,   0.016)  ( -0.022,  -0.018,   0.019)  ( 0.00,  0.00,  0.01)
164:     bond    (  0.002,  -0.007,   0.018)  (  0.002,  -0.007,   0.021)  ( 0.00,  0.00,  0.01)
164:     angle   (  0.435,  -0.097,  -0.074)  (  0.436,  -0.096,  -0.074)  ( 0.02,  0.00,  0.00)
164:     strbnd  (  0.316,  -0.158,   0.593)  (  0.316,  -0.158,   0.593)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.046,   0.322,   0.110)  ( -0.046,   0.322,   0.110)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.730,  -0.080,  -0.631)  ( -0.730,  -0.080,  -0.631)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  6       ( -0.046,  -0.324,   0.524)  (  0.044,  -0.163,   0.161)  ( 0.41,  5.19, 19.00)
164:     bond    ( -2.835,   3.345,   0.762)  ( -2.831,   3.350,   0.763)  ( 0.13,  0.16,  0.02)
164:     angle   ( -1.494,  -1.139,  -0.542)  ( -1.493,  -1.138,  -0.541)  ( 0.03,  0.02,  0.01)
164:     strbnd  (  7.239,  -8.454,  -1.930)  (  7.239,  -8.454,  -1.930)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.143,   0.217,  -0.423)  (  0.143,   0.217,  -0.423)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.410,  -0.742,   1.739)  ( -0.325,  -0.588,   1.376)  ( 3.49, 11.48, 20.89)
164:     vdw     ( -4.309,  -6.669,  -2.520)  ( -4.309,  -6.669,  -2.520)  ( 0.00,  0.00,  0.00)
164:     electro (  1.620,  13.118,   3.437)  (  1.620,  13.118,   3.437)  ( 0.00,  0.00,  0.00)
164:  7       (  0.163,   0.254,  -0.307)  (  0.096,   0.140,  -0.063)  ( 1.10,  2.91,  7.49)
164:     bond    ( 17.866,  -2.904,   4.744)  ( 17.871,  -2.899,   4.745)  ( 0.03,  0.18,  0.03)
164:     angle   ( -8.512,  -0.397,  -1.184)  ( -8.510,  -0.396,  -1.183)  ( 0.02,  0.07,  0.06)
164:     strbnd  (  0.437,  -1.121,  -0.832)  (  0.437,  -1.122,  -0.833)  ( 0.02,  0.06,  0.02)
164:     torsion ( -1.343,  -1.618,   4.839)  ( -1.343,  -1.618,   4.840)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.386,   0.773,  -1.451)  (  0.312,   0.652,  -1.209)  ( 2.86,  9.34, 16.66)
164:     vdw     (  1.892,   2.121,   0.955)  (  1.893,   2.121,   0.955)  ( 0.01,  0.00,  0.00)
164:     electro (-10.563,   3.402,  -7.378)  (-10.563,   3.402,  -7.378)  ( 0.00,  0.00,  0.00)
164:  8       ( -0.072,  -0.167,   0.304)  ( -0.035,  -0.084,   0.148)  ( 0.26,  1.38,  4.74)
164:     bond    ( -1.088,   0.983,   0.272)  ( -1.086,   0.985,   0.272)  ( 0.24,  0.21,  0.00)
164:     angle   ( -1.860,  -1.398,  -2.356)  ( -1.859,  -1.398,  -2.356)  ( 0.02,  0.02,  0.01)
164:     strbnd  ( -0.431,   2.009,   1.109)  ( -0.431,   2.009,   1.109)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.178,   0.549,  -1.277)  (  0.178,   0.549,  -1.277)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.244,  -0.585,   1.144)  ( -0.210,  -0.505,   0.988)  ( 0.82,  4.70, 13.65)
164:     vdw     (  1.404,   2.236,   1.130)  (  1.404,   2.236,   1.130)  ( 0.00,  0.00,  0.00)
164:     electro (  1.969,  -3.962,   0.282)  (  1.969,  -3.962,   0.282)  ( 0.00,  0.00,  0.00)
164:  9       ( -0.704,  -0.671,  -0.056)  (  0.394,   0.371,   0.139)  (77.26, 69.84,  1.09)
164:     bond    ( -7.812,  -8.638,  -5.588)  ( -7.808,  -8.633,  -5.586)  ( 0.05,  0.05,  0.04)
164:     angle   ( 12.778,  11.374,  19.741)  ( 12.780,  11.376,  19.743)  ( 0.02,  0.02,  0.01)
164:     strbnd  (  4.362,   3.842,  -7.340)  (  4.361,   3.842,  -7.341)  ( 0.02,  0.02,  0.01)
164:     torsion ( -1.339,  -2.456,  -4.051)  ( -1.339,  -2.456,  -4.051)  ( 0.00,  0.00,  0.00)
164:     oop     ( -4.513,  -5.190,  -1.298)  ( -3.420,  -4.155,  -1.107)  (24.21, 19.95, 14.74)
164:     vdw     (  0.230,   3.142,   1.240)  (  0.230,   3.143,   1.240)  ( 0.00,  0.00,  0.00)
164:     electro ( -4.410,  -2.746,  -2.761)  ( -4.410,  -2.746,  -2.761)  ( 0.00,  0.00,  0.00)
164: 10       ( -0.145,   0.204,   0.151)  ( -0.062,   0.014,  -0.015)  ( 1.21,  3.88,  2.49)
164:     bond    ( -0.630,   1.775,  12.572)  ( -0.627,   1.778,  12.577)  ( 0.18,  0.16,  0.04)
164:     angle   (  6.045,   0.014, -16.923)  (  6.048,   0.016, -16.921)  ( 0.04,  0.00,  0.01)
164:     strbnd  ( -7.393,  -1.780,  -1.355)  ( -7.394,  -1.782,  -1.356)  ( 0.01,  0.08,  0.05)
164:     torsion ( -2.978,   1.047,  -0.463)  ( -2.978,   1.047,  -0.463)  ( 0.00,  0.00,  0.00)
164:     oop     (  1.166,   3.054,   2.028)  (  1.244,   2.860,   1.857)  ( 6.76,  6.34,  8.45)
164:     vdw     (  2.417,   3.304,   0.233)  (  2.417,   3.304,   0.233)  ( 0.00,  0.00,  0.00)
164:     electro (  1.227,  -7.208,   4.059)  (  1.227,  -7.208,   4.059)  ( 0.00,  0.00,  0.00)
164: 11       ( -0.193,  -2.395,  -0.387)  (  0.210,  -0.194,   0.018)  ( 7.77, 91.89, 15.69)
164:     bond    ( 10.742,   6.592,  -1.930)  ( 10.747,   6.594,  -1.926)  ( 0.05,  0.02,  0.18)
164:     angle   ( -4.937, -17.076,   7.817)  ( -4.936, -17.075,   7.819)  ( 0.04,  0.01,  0.03)
164:     strbnd  ( -1.830,  -0.656,   3.895)  ( -1.830,  -0.657,   3.894)  ( 0.03,  0.03,  0.01)
164:     torsion (  5.970,  14.380,  -7.419)  (  5.971,  14.380,  -7.419)  ( 0.00,  0.00,  0.00)
164:     oop     ( -6.219, -17.227,  -5.679)  ( -5.823, -15.030,  -5.279)  ( 6.37, 12.76,  7.04)
164:     vdw     ( -1.251,   1.961,   1.619)  ( -1.251,   1.961,   1.619)  ( 0.01,  0.00,  0.00)
164:     electro ( -2.668,   9.632,   1.310)  ( -2.668,   9.632,   1.309)  ( 0.00,  0.00,  0.00)
164: 12       ( -0.015,  -0.043,  -0.016)  ( -0.014,  -0.042,  -0.013)  ( 0.00,  0.01,  0.00)
164:     bond    ( -0.064,  -0.227,  -0.383)  ( -0.063,  -0.226,  -0.380)  ( 0.00,  0.02,  0.10)
164:     angle   ( -5.122,  -0.874,   1.372)  ( -5.121,  -0.873,   1.372)  ( 0.01,  0.03,  0.01)
164:     strbnd  (  0.712,   0.432,   0.989)  (  0.712,   0.432,   0.989)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.289,  -0.711,   0.374)  (  0.289,  -0.711,   0.374)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.169,   1.337,  -2.368)  (  4.169,   1.337,  -2.368)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 13       (  0.009,  -0.036,  -0.036)  (  0.011,  -0.034,  -0.035)  ( 0.00,  0.01,  0.00)
164:     bond    (  7.080, -17.260,   8.482)  (  7.081, -17.259,   8.482)  ( 0.02,  0.01,  0.00)
164:     angle   ( -5.148,   2.623,  -1.308)  ( -5.148,   2.624,  -1.307)  ( 0.00,  0.03,  0.05)
164:     strbnd  ( -0.387,   6.300,  -1.373)  ( -0.387,   6.299,  -1.373)  ( 0.00,  0.01,  0.00)
164:     torsion (  0.837,   0.450,   0.871)  (  0.837,   0.450,   0.871)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.152,   6.289,  -6.678)  ( -2.152,   6.289,  -6.677)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.220,   1.563,  -0.030)  ( -0.220,   1.563,  -0.030)  ( 0.00,  0.00,  0.00)
164: 14       (  3.917,   5.394,   1.410)  ( -0.341,   0.047,  -0.005)  (108.71, 99.13, 100.32)
164:     bond    (  1.728,   7.650, -26.617)  (  1.731,   7.651, -26.606)  ( 0.18,  0.02,  0.04)
164:     angle   (-12.444,  -3.256,  -6.802)  (-12.443,  -3.255,  -6.800)  ( 0.01,  0.03,  0.03)
164:     strbnd  ( -0.283,  -8.072,  23.375)  ( -0.284,  -8.072,  23.374)  ( 0.01,  0.00,  0.01)
164:     torsion ( -1.208,  -7.791,   2.702)  ( -1.208,  -7.791,   2.702)  ( 0.01,  0.00,  0.00)
164:     oop     ( 16.911,  22.685,   7.558)  ( 12.649,  17.335,   6.131)  (25.21, 23.58, 18.88)
164:     vdw     ( -7.544,  -1.421,   3.983)  ( -7.544,  -1.421,   3.983)  ( 0.00,  0.00,  0.00)
164:     electro (  6.757,  -4.401,  -2.789)  (  6.757,  -4.401,  -2.789)  ( 0.00,  0.00,  0.00)
164: 15       (  0.005,   0.033,  -0.033)  (  0.006,   0.036,  -0.032)  ( 0.00,  0.01,  0.00)
164:     bond    ( -0.124,  -3.231,  -0.971)  ( -0.124,  -3.228,  -0.971)  ( 0.00,  0.10,  0.03)
164:     angle   (  4.975,   0.074,  -0.882)  (  4.976,   0.074,  -0.882)  ( 0.01,  0.00,  0.04)
164:     strbnd  ( -1.156,   1.633,  -0.157)  ( -1.156,   1.633,  -0.157)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.003,  -0.118,   0.391)  ( -0.003,  -0.118,   0.391)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.688,   1.674,   1.586)  ( -3.688,   1.674,   1.586)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 16       ( -2.750,  -3.359,  -1.104)  ( -0.093,  -0.188,  -0.129)  (96.60, 94.39, 88.36)
164:     bond    ( -4.283,  -2.663,  20.496)  ( -4.282,  -2.663,  20.505)  ( 0.01,  0.00,  0.05)
164:     angle   ( -0.168,   2.881,   0.339)  ( -0.168,   2.882,   0.339)  ( 0.01,  0.01,  0.00)
164:     strbnd  (  4.201,   1.886, -19.314)  (  4.201,   1.886, -19.314)  ( 0.00,  0.01,  0.00)
164:     torsion (  1.537,   3.049,   0.717)  (  1.537,   3.049,   0.717)  ( 0.00,  0.00,  0.00)
164:     oop     ( -7.000,  -8.683,  -2.589)  ( -4.344,  -5.513,  -1.623)  (37.94, 36.51, 37.31)
164:     vdw     ( -3.415,  -0.431,   2.105)  ( -3.415,  -0.431,   2.105)  ( 0.00,  0.00,  0.00)
164:     electro (  6.378,   0.602,  -2.858)  (  6.378,   0.602,  -2.858)  ( 0.00,  0.00,  0.00)
164: 17       (  0.022,  -0.029,  -0.074)  (  0.027,  -0.025,  -0.069)  ( 0.01,  0.01,  0.03)
164:     bond    ( -7.091,   2.130,  -1.977)  ( -7.088,   2.132,  -1.974)  ( 0.05,  0.14,  0.17)
164:     angle   (  4.462,   8.345,  -1.889)  (  4.464,   8.347,  -1.887)  ( 0.04,  0.02,  0.09)
164:     strbnd  (  3.433,  -7.634,   3.029)  (  3.432,  -7.635,   3.028)  ( 0.02,  0.01,  0.02)
164:     torsion ( -1.295,  -0.201,  -0.359)  ( -1.295,  -0.201,  -0.359)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.436,   1.064,  -0.784)  (  0.436,   1.064,  -0.784)  ( 0.00,  0.00,  0.00)
164:     electro (  0.078,  -3.732,   1.907)  (  0.078,  -3.732,   1.907)  ( 0.00,  0.00,  0.00)
164: 18       ( -0.527,   0.717,   0.247)  ( -0.131,  -0.014,  -0.098)  (20.83, 52.36,  8.52)
164:     bond    (  2.690,  -5.259,  -9.175)  (  2.694,  -5.255,  -9.171)  ( 0.14,  0.07,  0.05)
164:     angle   (  0.459,   8.749,   5.203)  (  0.461,   8.751,   5.206)  ( 0.09,  0.02,  0.04)
164:     strbnd  (  3.654,  -2.284,  -2.072)  (  3.653,  -2.285,  -2.073)  ( 0.03,  0.02,  0.02)
164:     torsion (  2.026,  -5.810,   3.568)  (  2.026,  -5.810,   3.568)  ( 0.00,  0.00,  0.00)
164:     oop     ( -2.189,   4.693,   2.103)  ( -1.798,   3.957,   1.752)  (17.86, 15.67, 16.70)
164:     vdw     (  0.057,  -1.642,   0.671)  (  0.057,  -1.642,   0.671)  ( 0.00,  0.00,  0.00)
164:     electro ( -7.224,   2.269,  -0.051)  ( -7.224,   2.269,  -0.051)  ( 0.00,  0.00,  0.00)
164: 19       (  0.014,  -0.054,   0.035)  (  0.020,  -0.048,   0.040)  ( 0.01,  0.03,  0.02)
164:     bond    ( -4.572,   7.582,   9.251)  ( -4.568,   7.586,   9.256)  ( 0.10,  0.06,  0.05)
164:     angle   (  4.311, -10.172,  -3.123)  (  4.312, -10.170,  -3.121)  ( 0.04,  0.02,  0.06)
164:     strbnd  ( -2.161,   2.017,   1.879)  ( -2.161,   2.016,   1.878)  ( 0.02,  0.03,  0.04)
164:     torsion ( -0.707,  -0.056,  -0.329)  ( -0.707,  -0.056,  -0.328)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.144,   0.575,  -7.644)  (  3.144,   0.575,  -7.644)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 20       (  0.055,   0.023,  -0.083)  (  0.061,   0.028,  -0.077)  ( 0.03,  0.01,  0.05)
164:     bond    ( -7.858,  -5.077,  -5.109)  ( -7.854,  -5.072,  -5.105)  ( 0.05,  0.09,  0.09)
164:     angle   (  6.358,   2.036,   6.266)  (  6.360,   2.038,   6.268)  ( 0.03,  0.09,  0.03)
164:     strbnd  ( -2.171,  -0.422,  -1.231)  ( -2.172,  -0.423,  -1.232)  ( 0.04,  0.02,  0.05)
164:     torsion (  0.971,  -0.883,  -0.568)  (  0.971,  -0.883,  -0.568)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.756,   4.369,   0.559)  (  2.756,   4.369,   0.559)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 21       (  1.073,   0.070,  -0.862)  (  0.111,  -0.108,  -0.067)  (89.62,  1.25, 68.53)
164:     bond    ( -7.303,  18.452,  -4.755)  ( -7.301,  18.461,  -4.751)  ( 0.03,  0.05,  0.10)
164:     angle   ( 11.493, -17.158,   1.980)  ( 11.494, -17.156,   1.981)  ( 0.01,  0.01,  0.07)
164:     strbnd  ( -4.739,   3.053,  -5.420)  ( -4.739,   3.052,  -5.421)  ( 0.01,  0.04,  0.02)
164:     torsion ( -1.507,   0.152,   2.650)  ( -1.507,   0.152,   2.650)  ( 0.01,  0.00,  0.00)
164:     oop     (  5.247,   1.013,  -4.389)  (  4.282,   0.825,  -3.599)  (18.39, 18.57, 18.00)
164:     vdw     ( -2.898,  -4.553,   6.605)  ( -2.898,  -4.553,   6.605)  ( 0.00,  0.00,  0.00)
164:     electro (  0.780,  -0.889,   2.467)  (  0.780,  -0.889,   2.467)  ( 0.00,  0.00,  0.00)
164: 22       (  0.011,   0.068,   0.026)  (  0.012,   0.070,   0.029)  ( 0.00,  0.01,  0.01)
164:     bond    (  0.328,  -2.247,  -3.859)  (  0.328,  -2.246,  -3.857)  ( 0.00,  0.04,  0.06)
164:     angle   ( -0.121,   1.446,  -0.853)  ( -0.120,   1.446,  -0.853)  ( 0.01,  0.03,  0.01)
164:     strbnd  (  0.002,   0.481,   0.353)  (  0.002,   0.481,   0.353)  ( 0.00,  0.00,  0.00)
164:     torsion ( -2.329,  -0.221,  -0.069)  ( -2.329,  -0.221,  -0.069)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.131,   0.609,   4.454)  (  2.131,   0.609,   4.454)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 23       ( -0.191,  -0.011,   0.189)  (  0.002,   0.035,   0.026)  ( 3.69,  0.05,  3.08)
164:     bond    (  2.346,  -0.713,   2.597)  (  2.348,  -0.708,   2.600)  ( 0.09,  0.35,  0.10)
164:     angle   ( -9.647,   2.693,  -9.181)  ( -9.647,   2.694,  -9.181)  ( 0.00,  0.05,  0.00)
164:     strbnd  (  2.977,   2.363,   3.838)  (  2.977,   2.363,   3.837)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.013,   0.016,  -0.011)  (  0.013,   0.016,  -0.011)  ( 0.00,  0.00,  0.00)
164:     oop     ( -1.579,  -0.309,   1.374)  ( -1.388,  -0.270,   1.208)  (12.09,  1.23, 12.08)
164:     vdw     (  1.642,  -3.834,   1.605)  (  1.642,  -3.834,   1.605)  ( 0.00,  0.00,  0.00)
164:     electro (  4.057,  -0.227,  -0.032)  (  4.057,  -0.227,  -0.032)  ( 0.00,  0.00,  0.00)
164: 24       (  0.004,   0.003,  -0.053)  (  0.005,   0.004,  -0.052)  ( 0.00,  0.00,  0.01)
164:     bond    ( -1.196,   1.182,  -0.827)  ( -1.194,   1.183,  -0.827)  ( 0.12,  0.11,  0.05)
164:     angle   ( -1.332,  -1.852,  -0.728)  ( -1.331,  -1.852,  -0.727)  ( 0.02,  0.02,  0.03)
164:     strbnd  (  0.241,  -1.027,   0.189)  (  0.241,  -1.026,   0.189)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.038,   0.002,   0.057)  ( -0.038,   0.002,   0.057)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.329,   1.697,   1.256)  (  2.329,   1.697,   1.256)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 25       ( -0.012,  -0.040,  -0.043)  ( -0.010,  -0.039,  -0.041)  ( 0.00,  0.01,  0.01)
164:     bond    ( -1.200,  -1.265,   1.435)  ( -1.199,  -1.264,   1.436)  ( 0.08,  0.08,  0.10)
164:     angle   ( -2.311,  -0.524,  -2.391)  ( -2.311,  -0.524,  -2.391)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( -0.046,   0.131,  -0.817)  ( -0.046,   0.131,  -0.817)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.070,  -0.086,  -0.017)  (  0.070,  -0.086,  -0.017)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.476,   1.704,   1.748)  (  3.476,   1.704,   1.748)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 26       (  0.017,   0.031,  -0.062)  (  0.018,   0.032,  -0.060)  ( 0.00,  0.00,  0.01)
164:     bond    (  0.799,  -1.340,  -1.580)  (  0.799,  -1.338,  -1.578)  ( 0.04,  0.09,  0.11)
164:     angle   ( -3.338,  -0.613,  -1.171)  ( -3.337,  -0.613,  -1.171)  ( 0.01,  0.02,  0.02)
164:     strbnd  ( -0.745,   0.134,   0.227)  ( -0.745,   0.134,   0.227)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.007,  -0.067,   0.060)  (  0.007,  -0.067,   0.060)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.293,   1.916,   2.401)  (  3.293,   1.916,   2.401)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 27       ( -0.029,  -0.013,  -0.016)  ( -0.027,  -0.011,  -0.015)  ( 0.01,  0.00,  0.00)
164:     bond    ( -1.391,   1.340,  -0.747)  ( -1.389,   1.342,  -0.747)  ( 0.11,  0.11,  0.03)
164:     angle   ( -1.015,   0.530,   2.839)  ( -1.015,   0.530,   2.840)  ( 0.02,  0.01,  0.02)
164:     strbnd  (  0.553,  -0.368,   1.021)  (  0.553,  -0.368,   1.021)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.250,  -0.232,   0.047)  ( -0.250,  -0.232,   0.047)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.074,  -1.282,  -3.176)  (  2.074,  -1.282,  -3.176)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 28       ( -0.034,  -0.055,  -0.010)  ( -0.032,  -0.053,  -0.008)  ( 0.01,  0.01,  0.00)
164:     bond    (  1.317,   0.998,   0.899)  (  1.318,   0.999,   0.900)  ( 0.13,  0.10,  0.07)
164:     angle   ( -2.910,   1.945,   2.102)  ( -2.910,   1.946,   2.102)  ( 0.01,  0.02,  0.02)
164:     strbnd  ( -0.799,   0.069,   0.229)  ( -0.799,   0.069,   0.229)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.012,   0.069,  -0.059)  ( -0.012,   0.069,  -0.059)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.371,  -3.136,  -3.182)  (  2.371,  -3.135,  -3.182)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 29       ( -0.014,  -0.055,  -0.036)  ( -0.012,  -0.054,  -0.034)  ( 0.00,  0.01,  0.01)
164:     bond    ( -1.198,  -1.403,   1.700)  ( -1.197,  -1.402,   1.701)  ( 0.06,  0.08,  0.09)
164:     angle   ( -1.824,   2.897,   1.105)  ( -1.823,   2.897,   1.105)  ( 0.02,  0.01,  0.02)
164:     strbnd  (  0.202,   1.021,  -0.133)  (  0.202,   1.021,  -0.133)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.274,  -0.031,   0.167)  (  0.274,  -0.031,   0.167)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.531,  -2.539,  -2.875)  (  2.532,  -2.539,  -2.875)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 30       ( -0.010,   0.057,   0.047)  ( -0.010,   0.062,   0.047)  ( 0.00,  0.03,  0.00)
164:     bond    ( -0.177,   0.738,  -0.096)  ( -0.177,   0.743,  -0.096)  ( 0.01,  0.36,  0.00)
164:     angle   (  8.417,   3.317,  10.163)  (  8.417,   3.317,  10.163)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  0.382,  -1.272,   0.256)  (  0.382,  -1.272,   0.256)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.882,   0.111,  -0.766)  (  0.882,   0.111,  -0.766)  ( 0.01,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.106,   0.075,   0.091)  (  0.106,   0.075,   0.091)  ( 0.00,  0.00,  0.00)
164:     electro ( -9.620,  -2.911,  -9.600)  ( -9.620,  -2.911,  -9.600)  ( 0.00,  0.00,  0.00)
164: 31       ( -0.560,   0.014,   0.551)  ( -0.085,   0.116,   0.170)  (26.59,  0.14, 20.99)
164:     bond    ( -0.691,  -2.922,  -1.578)  ( -0.691,  -2.915,  -1.576)  ( 0.03,  0.24,  0.13)
164:     angle   (-11.279,   8.740, -11.218)  (-11.279,   8.740, -11.218)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( -0.400,   0.562,  -0.346)  ( -0.400,   0.562,  -0.346)  ( 0.00,  0.01,  0.00)
164:     torsion ( -0.438,  -0.113,   0.402)  ( -0.438,  -0.113,   0.402)  ( 0.00,  0.00,  0.00)
164:     oop     ( -2.089,  -0.433,   1.715)  ( -1.615,  -0.338,   1.332)  (22.71,  4.11, 22.34)
164:     vdw     (  1.193,  -3.724,   0.966)  (  1.193,  -3.724,   0.966)  ( 0.00,  0.00,  0.00)
164:     electro ( 13.145,  -2.096,  10.610)  ( 13.145,  -2.096,  10.610)  ( 0.00,  0.00,  0.00)
164: ok 32 # gradients 
164: ok 33 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
164:  1       ( -0.009,   0.002,  -0.005)  ( -0.001,   0.005,   0.001)  ( 0.01,  0.00,  0.00)
164:     bond    (  9.838,  -1.834,   0.007)  (  9.844,  -1.832,   0.011)  ( 0.07,  0.10,  0.00)
164:     angle   (  6.646,  -1.255,  -0.018)  (  6.648,  -1.254,  -0.017)  ( 0.03,  0.05,  0.00)
164:     strbnd  ( -3.095,   0.579,   0.001)  ( -3.095,   0.579,   0.001)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.001,   0.001,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (-12.705,   2.379,   0.009)  (-12.705,   2.379,   0.009)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.694,   0.130,   0.001)  ( -0.694,   0.130,   0.001)  ( 0.00,  0.00,  0.00)
164:  2       ( -0.094,  -0.071,  -0.108)  ( -0.084,  -0.054,  -0.110)  ( 0.09,  0.12,  0.02)
164:     bond    ( 15.243,  -7.110,  -6.312)  ( 15.248,  -7.108,  -6.308)  ( 0.04,  0.03,  0.07)
164:     angle   ( -4.881,  -0.262,  -1.754)  ( -4.879,  -0.261,  -1.753)  ( 0.04,  0.02,  0.09)
164:     strbnd  ( -1.609,   1.725,   2.154)  ( -1.609,   1.725,   2.154)  ( 0.01,  0.00,  0.01)
164:     torsion (  0.015,   0.078,  -0.054)  (  0.015,   0.079,  -0.054)  ( 0.00,  0.01,  0.00)
164:     oop     ( -0.015,  -0.078,   0.052)  ( -0.012,  -0.066,   0.044)  ( 0.00,  0.10,  0.04)
164:     vdw     ( -8.822,   6.095,   6.582)  ( -8.822,   6.095,   6.582)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.025,  -0.518,  -0.776)  ( -0.025,  -0.518,  -0.776)  ( 0.00,  0.00,  0.00)
164:  3       (  0.182,  -0.012,  -0.057)  (  0.183,  -0.039,  -0.032)  ( 0.02,  0.03,  0.15)
164:     bond    (  0.609,  -8.879, -13.408)  (  0.614,  -8.877, -13.405)  ( 0.30,  0.02,  0.03)
164:     angle   ( -7.772,   3.135,   2.969)  ( -7.770,   3.136,   2.970)  ( 0.02,  0.03,  0.05)
164:     strbnd  (  2.453,  -0.620,  -0.234)  (  2.453,  -0.620,  -0.235)  ( 0.01,  0.01,  0.01)
164:     torsion ( -0.243,   0.162,   0.098)  ( -0.243,   0.163,   0.098)  ( 0.00,  0.01,  0.00)
164:     oop     (  0.034,   0.181,  -0.121)  (  0.028,   0.151,  -0.101)  ( 0.02,  0.55,  0.25)
164:     vdw     (  4.751,   6.373,  11.116)  (  4.751,   6.373,  11.116)  ( 0.00,  0.00,  0.00)
164:     electro (  0.350,  -0.364,  -0.476)  (  0.350,  -0.364,  -0.476)  ( 0.00,  0.00,  0.00)
164:  4       ( -0.195,   0.032,   0.015)  ( -0.188,   0.037,   0.020)  ( 0.13,  0.02,  0.01)
164:     bond    ( -7.919,   1.496,   0.029)  ( -7.915,   1.498,   0.032)  ( 0.06,  0.11,  0.01)
164:     angle   (  7.321,  -1.377,  -0.013)  (  7.323,  -1.376,  -0.012)  ( 0.03,  0.07,  0.00)
164:     strbnd  ( -7.154,   1.339,   0.000)  ( -7.155,   1.339,   0.000)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.002,  -0.005,   0.001)  ( -0.002,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.001,  -0.007,   0.004)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
164:     vdw     (  7.561,  -1.415,  -0.006)  (  7.562,  -1.415,  -0.006)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  5       (  0.098,  -0.057,  -0.028)  (  0.109,  -0.026,  -0.041)  ( 0.11,  0.18,  0.04)
164:     bond    (  3.740,   8.034,  13.340)  (  3.745,   8.036,  13.343)  ( 0.13,  0.02,  0.03)
164:     angle   ( -8.410,  -0.116,  -2.962)  ( -8.408,  -0.115,  -2.960)  ( 0.02,  0.01,  0.05)
164:     strbnd  (  2.516,  -0.308,   0.233)  (  2.515,  -0.309,   0.233)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.284,  -0.056,  -0.104)  ( -0.284,  -0.055,  -0.103)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.031,  -0.165,   0.109)  ( -0.025,  -0.137,   0.091)  ( 0.02,  0.46,  0.20)
164:     vdw     (  2.108,  -7.659, -11.120)  (  2.108,  -7.659, -11.120)  ( 0.00,  0.00,  0.00)
164:     electro (  0.459,   0.213,   0.476)  (  0.459,   0.213,   0.476)  ( 0.00,  0.00,  0.00)
164:  6       ( -0.017,   0.039,   0.055)  ( -0.012,   0.031,   0.069)  ( 0.01,  0.03,  0.08)
164:     bond    ( 16.822,   1.066,   6.232)  ( 16.827,   1.068,   6.236)  ( 0.03,  0.19,  0.07)
164:     angle   ( -4.438,   2.007,   1.762)  ( -4.436,   2.007,   1.763)  ( 0.05,  0.03,  0.09)
164:     strbnd  ( -2.127,  -1.024,  -2.150)  ( -2.127,  -1.024,  -2.150)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.016,  -0.084,   0.056)  ( -0.016,  -0.083,   0.056)  ( 0.00,  0.01,  0.00)
164:     oop     (  0.013,   0.071,  -0.048)  (  0.011,   0.060,  -0.040)  ( 0.00,  0.08,  0.04)
164:     vdw     (-10.436,  -2.488,  -6.572)  (-10.436,  -2.488,  -6.572)  ( 0.00,  0.00,  0.00)
164:     electro (  0.165,   0.492,   0.776)  (  0.165,   0.492,   0.776)  ( 0.00,  0.00,  0.00)
164:  7       (  0.083,   0.029,  -0.027)  (  0.090,   0.034,  -0.024)  ( 0.06,  0.02,  0.01)
164:     bond    ( -5.715,   1.120,  -0.030)  ( -5.710,   1.124,  -0.028)  ( 0.08,  0.35,  0.00)
164:     angle   ( -3.925,   0.733,   0.006)  ( -3.923,   0.734,   0.007)  ( 0.05,  0.10,  0.00)
164:     strbnd  ( 10.212,  -1.917,  -0.002)  ( 10.212,  -1.917,  -0.002)  ( 0.00,  0.01,  0.00)
164:     torsion ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.489,   0.094,  -0.002)  ( -0.488,   0.094,  -0.002)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  8       ( -0.096,   0.024,  -0.020)  ( -0.089,   0.030,  -0.017)  ( 0.07,  0.01,  0.01)
164:     bond    ( -3.483, -12.638,   7.907)  ( -3.478, -12.633,   7.908)  ( 0.16,  0.03,  0.02)
164:     angle   (  3.798,   0.832,  -0.921)  (  3.800,   0.834,  -0.921)  ( 0.04,  0.11,  0.04)
164:     strbnd  (  1.060,  -1.300,   0.656)  (  1.060,  -1.300,   0.656)  ( 0.02,  0.01,  0.00)
164:     torsion (  0.019,   0.099,   0.166)  (  0.019,   0.099,   0.167)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.505,  14.542,  -8.739)  ( -1.505,  14.542,  -8.739)  ( 0.01,  0.00,  0.00)
164:     electro (  0.016,  -1.510,   0.914)  (  0.016,  -1.510,   0.914)  ( 0.00,  0.00,  0.00)
164:  9       ( -0.010,  -0.087,   0.031)  ( -0.003,  -0.081,   0.034)  ( 0.01,  0.05,  0.01)
164:     bond    ( -2.492,  -7.482,   4.725)  ( -2.486,  -7.478,   4.727)  ( 0.23,  0.05,  0.03)
164:     angle   ( -4.105,  -3.933,   2.798)  ( -4.103,  -3.931,   2.798)  ( 0.04,  0.03,  0.02)
164:     strbnd  ( -4.222,   0.031,   0.453)  ( -4.222,   0.031,   0.453)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.000,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 10.835,  10.954,  -7.728)  ( 10.835,  10.954,  -7.728)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.025,   0.347,  -0.209)  ( -0.025,   0.347,  -0.209)  ( 0.00,  0.00,  0.00)
164: 10       ( -0.018,  -0.003,   0.005)  ( -0.014,   0.002,   0.008)  ( 0.01,  0.00,  0.00)
164:     bond    (-13.181,   2.472,   0.003)  (-13.178,   2.476,   0.004)  ( 0.02,  0.16,  0.00)
164:     angle   (  8.282,  -1.555,  -0.003)  (  8.284,  -1.555,  -0.003)  ( 0.02,  0.02,  0.00)
164:     strbnd  (  0.147,  -0.037,   0.005)  (  0.147,  -0.037,   0.006)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (  8.264,  -1.546,  -0.006)  (  8.265,  -1.546,  -0.006)  ( 0.00,  0.00,  0.00)
164:     electro ( -3.532,   0.661,   0.003)  ( -3.532,   0.661,   0.003)  ( 0.00,  0.00,  0.00)
164: 11       ( -0.084,   0.070,  -0.048)  ( -0.077,   0.076,  -0.045)  ( 0.06,  0.04,  0.02)
164:     bond    (  0.276,   7.851,  -4.706)  (  0.282,   7.855,  -4.705)  ( 0.16,  0.05,  0.03)
164:     angle   ( -2.425,   5.161,  -2.800)  ( -2.424,   5.163,  -2.800)  ( 0.07,  0.03,  0.02)
164:     strbnd  ( -3.937,   1.510,  -0.456)  ( -3.938,   1.510,  -0.456)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     (  6.153, -14.132,   7.716)  (  6.153, -14.132,   7.716)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.149,  -0.315,   0.209)  ( -0.149,  -0.315,   0.209)  ( 0.00,  0.00,  0.00)
164: 12       (  0.047,  -0.083,   0.059)  (  0.054,  -0.077,   0.061)  ( 0.03,  0.04,  0.02)
164:     bond    (  1.440,  12.965,  -7.881)  (  1.446,  12.969,  -7.880)  ( 0.38,  0.03,  0.02)
164:     angle   (  3.262,  -2.172,   0.925)  (  3.264,  -2.171,   0.925)  ( 0.05,  0.06,  0.04)
164:     strbnd  (  1.447,   0.834,  -0.660)  (  1.447,   0.834,  -0.660)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.018,  -0.096,  -0.161)  ( -0.018,  -0.095,  -0.160)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -6.645, -13.018,   8.747)  ( -6.645, -13.018,   8.747)  ( 0.00,  0.00,  0.00)
164:     electro (  0.560,   1.403,  -0.914)  (  0.560,   1.402,  -0.914)  ( 0.00,  0.00,  0.00)
164: 13       (  0.014,   0.029,  -0.012)  (  0.016,   0.031,  -0.010)  ( 0.00,  0.01,  0.00)
164:     bond    (  0.532,   0.585,  -0.410)  (  0.533,   0.587,  -0.409)  ( 0.07,  0.10,  0.03)
164:     angle   ( -1.375,   0.959,  -0.417)  ( -1.375,   0.959,  -0.417)  ( 0.03,  0.02,  0.00)
164:     strbnd  ( -0.291,   0.302,  -0.147)  ( -0.291,   0.302,  -0.147)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.002,  -0.013,  -0.021)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.001,  -0.001)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.782,  -2.146,   1.210)  (  0.782,  -2.146,   1.210)  ( 0.00,  0.00,  0.00)
164:     electro (  0.369,   0.342,  -0.225)  (  0.369,   0.342,  -0.225)  ( 0.00,  0.00,  0.00)
164: 14       (  0.014,  -0.025,   0.027)  (  0.015,  -0.022,   0.028)  ( 0.00,  0.01,  0.00)
164:     bond    ( -0.713,   1.410,  -0.761)  ( -0.713,   1.412,  -0.760)  ( 0.04,  0.17,  0.05)
164:     angle   ( -1.054,  -0.355,   0.329)  ( -1.053,  -0.355,   0.329)  ( 0.06,  0.00,  0.00)
164:     strbnd  (  0.385,   0.200,  -0.162)  (  0.385,   0.200,  -0.162)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.001,   0.005,   0.009)  (  0.001,   0.006,   0.009)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.575,  -0.404,   0.175)  (  0.575,  -0.404,   0.175)  ( 0.00,  0.00,  0.00)
164:     electro (  0.821,  -0.881,   0.436)  (  0.821,  -0.881,   0.436)  ( 0.00,  0.00,  0.00)
164: 15       ( -0.046,  -0.018,   0.011)  ( -0.038,  -0.002,   0.010)  ( 0.03,  0.03,  0.00)
164:     bond    ( -7.125,  -4.896,  -9.263)  ( -7.121,  -4.892,  -9.259)  ( 0.06,  0.09,  0.05)
164:     angle   (  6.393,   2.270,   5.666)  (  6.394,   2.272,   5.667)  ( 0.03,  0.07,  0.03)
164:     strbnd  (  0.273,  -0.725,  -1.181)  (  0.272,  -0.726,  -1.182)  ( 0.02,  0.04,  0.08)
164:     torsion (  1.289,  -0.354,  -0.774)  (  1.289,  -0.353,  -0.774)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.010,  -0.056,   0.038)  ( -0.009,  -0.047,   0.031)  ( 0.00,  0.05,  0.02)
164:     vdw     ( -0.361,   3.610,   5.432)  ( -0.361,   3.610,   5.432)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.503,   0.134,   0.095)  ( -0.503,   0.134,   0.095)  ( 0.00,  0.00,  0.00)
164: 16       (  0.036,  -0.004,   0.009)  (  0.041,  -0.003,   0.010)  ( 0.02,  0.00,  0.00)
164:     bond    ( -1.105,   0.206,   0.001)  ( -1.100,   0.206,   0.001)  ( 0.41,  0.00,  0.00)
164:     angle   (  0.001,   0.005,   0.007)  (  0.001,   0.005,   0.007)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  3.048,  -0.570,  -0.001)  (  3.048,  -0.570,  -0.001)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.498,   0.093,   0.000)  ( -0.498,   0.093,   0.001)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.410,   0.264,   0.001)  ( -1.410,   0.264,   0.001)  ( 0.00,  0.00,  0.00)
164: 17       ( -0.037,   0.047,   0.071)  ( -0.035,   0.047,   0.074)  ( 0.01,  0.00,  0.02)
164:     bond    ( -0.132,   0.174,   0.223)  ( -0.131,   0.175,   0.225)  ( 0.01,  0.03,  0.05)
164:     angle   (  1.479,   0.192,   0.711)  (  1.480,   0.192,   0.711)  ( 0.05,  0.00,  0.01)
164:     strbnd  (  1.315,  -1.062,  -1.217)  (  1.315,  -1.062,  -1.217)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.011,  -0.057,   0.038)  ( -0.011,  -0.057,   0.038)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.001,   0.006,  -0.004)  (  0.001,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -4.211,   0.450,  -0.614)  ( -4.210,   0.450,  -0.614)  ( 0.00,  0.00,  0.00)
164:     electro (  1.521,   0.344,   0.934)  (  1.521,   0.344,   0.934)  ( 0.00,  0.00,  0.00)
164: 18       ( -0.041,   0.022,   0.048)  ( -0.037,   0.019,   0.060)  ( 0.02,  0.01,  0.05)
164:     bond    ( -4.885,   7.159,   9.319)  ( -4.880,   7.163,   9.323)  ( 0.09,  0.06,  0.05)
164:     angle   (  5.152,  -4.463,  -5.651)  (  5.154,  -4.462,  -5.649)  ( 0.04,  0.03,  0.03)
164:     strbnd  (  0.516,   0.583,   1.171)  (  0.515,   0.582,   1.170)  ( 0.03,  0.04,  0.08)
164:     torsion (  1.334,  -0.130,   0.768)  (  1.334,  -0.130,   0.768)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.010,   0.051,  -0.034)  (  0.008,   0.042,  -0.028)  ( 0.00,  0.04,  0.02)
164:     vdw     ( -1.650,  -3.234,  -5.431)  ( -1.650,  -3.234,  -5.431)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.518,   0.057,  -0.094)  ( -0.518,   0.057,  -0.094)  ( 0.00,  0.00,  0.00)
164: 19       ( -0.026,  -0.013,  -0.044)  ( -0.024,  -0.011,  -0.042)  ( 0.01,  0.00,  0.01)
164:     bond    ( -0.161,  -0.100,  -0.195)  ( -0.159,  -0.099,  -0.193)  ( 0.03,  0.01,  0.05)
164:     angle   (  1.304,  -0.712,  -0.711)  (  1.305,  -0.712,  -0.711)  ( 0.04,  0.01,  0.01)
164:     strbnd  (  1.615,   0.513,   1.214)  (  1.615,   0.513,   1.214)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.011,   0.057,  -0.038)  (  0.011,   0.058,  -0.038)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.001,  -0.006,   0.004)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -4.086,   1.106,   0.619)  ( -4.086,   1.106,   0.619)  ( 0.00,  0.00,  0.00)
164:     electro (  1.292,  -0.870,  -0.936)  (  1.292,  -0.870,  -0.936)  ( 0.00,  0.00,  0.00)
164: 20       (  0.018,  -0.043,   0.008)  (  0.019,  -0.041,   0.009)  ( 0.00,  0.01,  0.00)
164:     bond    (  0.288,  -0.750,   0.412)  (  0.289,  -0.747,   0.413)  ( 0.01,  0.20,  0.03)
164:     angle   ( -1.609,  -0.393,   0.414)  ( -1.608,  -0.393,   0.414)  ( 0.04,  0.00,  0.00)
164:     strbnd  ( -0.388,  -0.178,   0.149)  ( -0.388,  -0.178,   0.149)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.002,   0.011,   0.019)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.503,   1.719,  -1.212)  (  1.503,   1.719,  -1.212)  ( 0.00,  0.00,  0.00)
164:     electro (  0.221,  -0.453,   0.225)  (  0.221,  -0.453,   0.225)  ( 0.00,  0.00,  0.00)
164: 21       (  0.039,   0.039,  -0.040)  (  0.041,   0.040,  -0.039)  ( 0.01,  0.01,  0.00)
164:     bond    ( -1.156,  -1.042,   0.748)  ( -1.154,  -1.041,   0.749)  ( 0.15,  0.13,  0.05)
164:     angle   ( -0.862,   0.717,  -0.330)  ( -0.861,   0.717,  -0.330)  ( 0.04,  0.02,  0.00)
164:     strbnd  (  0.292,  -0.327,   0.162)  (  0.292,  -0.327,   0.162)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.007)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.682,   0.169,  -0.176)  (  0.682,   0.169,  -0.176)  ( 0.00,  0.00,  0.00)
164:     electro (  1.083,   0.525,  -0.437)  (  1.083,   0.525,  -0.437)  ( 0.00,  0.00,  0.00)
164: 22       ( -0.002,  -0.011,   0.010)  ( -0.001,  -0.009,   0.011)  ( 0.00,  0.00,  0.00)
164:     bond    ( -0.526,   0.784,  -0.542)  ( -0.525,   0.786,  -0.541)  ( 0.04,  0.14,  0.05)
164:     angle   (  1.195,  -1.233,  -2.949)  (  1.195,  -1.233,  -2.949)  ( 0.03,  0.02,  0.01)
164:     strbnd  ( -0.255,  -0.588,  -0.393)  ( -0.255,  -0.588,  -0.393)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.565,  -0.064,   0.455)  ( -0.565,  -0.064,   0.455)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.149,   1.091,   3.440)  (  0.149,   1.091,   3.440)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 23       ( -0.002,  -0.011,   0.000)  ( -0.001,  -0.010,   0.001)  ( 0.00,  0.00,  0.00)
164:     bond    ( -0.710,  -0.703,   0.394)  ( -0.709,  -0.701,   0.395)  ( 0.11,  0.10,  0.02)
164:     angle   (  0.978,  -1.990,  -1.779)  (  0.979,  -1.990,  -1.778)  ( 0.03,  0.01,  0.03)
164:     strbnd  ( -0.228,  -0.099,  -0.703)  ( -0.228,  -0.099,  -0.703)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.442,   0.487,   0.072)  ( -0.442,   0.487,   0.072)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.399,   2.293,   2.016)  (  0.399,   2.293,   2.016)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 24       (  0.016,   0.004,  -0.000)  (  0.017,   0.005,   0.001)  ( 0.00,  0.00,  0.00)
164:     bond    (  0.712,  -0.619,  -0.845)  (  0.713,  -0.618,  -0.844)  ( 0.08,  0.05,  0.13)
164:     angle   ( -4.410,  -0.925,  -3.048)  ( -4.410,  -0.925,  -3.048)  ( 0.01,  0.03,  0.01)
164:     strbnd  ( -0.899,   0.082,  -0.052)  ( -0.899,   0.082,  -0.052)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.011,  -0.086,   0.054)  ( -0.011,  -0.086,   0.054)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.624,   1.552,   3.891)  (  4.624,   1.552,   3.891)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 25       (  0.015,   0.029,  -0.030)  (  0.017,   0.030,  -0.029)  ( 0.00,  0.00,  0.00)
164:     bond    ( -0.752,  -0.529,   0.528)  ( -0.750,  -0.529,   0.529)  ( 0.13,  0.05,  0.04)
164:     angle   (  1.555,   0.717,   2.924)  (  1.555,   0.718,   2.924)  ( 0.02,  0.03,  0.01)
164:     strbnd  ( -0.027,   0.641,   0.396)  ( -0.027,   0.641,   0.396)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.505,   0.263,  -0.453)  ( -0.505,   0.263,  -0.453)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.257,  -1.063,  -3.425)  ( -0.257,  -1.063,  -3.425)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 26       ( -0.016,  -0.001,  -0.020)  ( -0.014,  -0.000,  -0.018)  ( 0.00,  0.00,  0.00)
164:     bond    (  0.867,   0.313,   0.819)  (  0.869,   0.313,   0.821)  ( 0.15,  0.01,  0.12)
164:     angle   ( -3.775,   2.481,   3.047)  ( -3.775,   2.482,   3.047)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( -0.869,   0.249,   0.057)  ( -0.869,   0.249,   0.057)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.019,   0.079,  -0.051)  (  0.019,   0.079,  -0.051)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.742,  -3.123,  -3.893)  (  3.742,  -3.123,  -3.893)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 27       (  0.012,  -0.017,   0.007)  (  0.013,  -0.015,   0.008)  ( 0.00,  0.00,  0.00)
164:     bond    ( -0.401,   0.886,  -0.386)  ( -0.401,   0.889,  -0.385)  ( 0.02,  0.22,  0.02)
164:     angle   (  1.642,   1.513,   1.782)  (  1.642,   1.513,   1.783)  ( 0.02,  0.01,  0.03)
164:     strbnd  ( -0.174,   0.171,   0.708)  ( -0.174,   0.170,   0.708)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.590,  -0.296,  -0.070)  ( -0.590,  -0.296,  -0.070)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.465,  -2.291,  -2.028)  ( -0.465,  -2.291,  -2.028)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: ok 34 # gradients 
164: ok 35 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
164:  1       ( 40.017,  -0.918,  27.693)  ( 40.022,  -0.916,  27.698)  ( 0.01,  0.21,  0.02)
164:     bond    ( 17.093,   4.746,  20.403)  ( 17.097,   4.747,  20.407)  ( 0.02,  0.02,  0.02)
164:     angle   ( 10.823,  -6.670,  -7.661)  ( 10.824,  -6.668,  -7.659)  ( 0.02,  0.03,  0.02)
164:     strbnd  ( -1.302,  -1.496,  -3.384)  ( -1.303,  -1.496,  -3.384)  ( 0.04,  0.04,  0.02)
164:     torsion ( -0.752,  -0.481,  -0.404)  ( -0.752,  -0.481,  -0.404)  ( 0.01,  0.01,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.697,   3.940,   6.118)  (  2.697,   3.940,   6.118)  ( 0.00,  0.00,  0.00)
164:     electro ( 11.458,  -0.958,  12.621)  ( 11.458,  -0.958,  12.621)  ( 0.00,  0.00,  0.00)
164:  2       (-31.059,   8.802,  24.651)  (-31.053,   8.807,  24.657)  ( 0.02,  0.06,  0.02)
164:     bond    (-27.113,  -0.560,   3.022)  (-27.109,  -0.556,   3.026)  ( 0.02,  0.22,  0.12)
164:     angle   (-10.986,   1.327,   1.389)  (-10.984,   1.329,   1.391)  ( 0.02,  0.14,  0.17)
164:     strbnd  (  6.026,   1.292,   2.785)  (  6.025,   1.291,   2.784)  ( 0.02,  0.04,  0.03)
164:     torsion (  0.387,   2.102,   1.063)  (  0.387,   2.103,   1.063)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.974,  -1.076,   6.259)  ( -5.974,  -1.076,   6.260)  ( 0.00,  0.00,  0.00)
164:     electro (  6.602,   5.716,  10.133)  (  6.602,   5.716,  10.133)  ( 0.00,  0.00,  0.00)
164:  3       (-13.765, -13.920,  11.801)  (-13.759, -13.915,  11.806)  ( 0.04,  0.04,  0.04)
164:     bond    ( -2.739,  -3.315,  12.969)  ( -2.735,  -3.311,  12.974)  ( 0.14,  0.12,  0.03)
164:     angle   (  0.437, -11.359,  -0.705)  (  0.439, -11.357,  -0.703)  ( 0.09,  0.02,  0.14)
164:     strbnd  (  1.387,   2.155,  -8.533)  (  1.387,   2.154,  -8.535)  ( 0.02,  0.03,  0.02)
164:     torsion ( -2.416,   1.078,   0.854)  ( -2.416,   1.078,   0.855)  ( 0.00,  0.01,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -6.807,  -1.527,   6.510)  ( -6.807,  -1.527,   6.510)  ( 0.00,  0.00,  0.00)
164:     electro ( -3.627,  -0.951,   0.706)  ( -3.627,  -0.951,   0.706)  ( 0.00,  0.00,  0.00)
164:  4       (-10.095,   5.283, -11.576)  (-10.089,   5.286, -11.570)  ( 0.05,  0.05,  0.05)
164:     bond    (  0.949,  -2.282,   0.268)  (  0.953,  -2.280,   0.273)  ( 0.43,  0.06,  0.13)
164:     angle   (  0.591,  21.684,   6.844)  (  0.593,  21.686,   6.845)  ( 0.09,  0.01,  0.02)
164:     strbnd  (  1.406,  -5.851,  -0.013)  (  1.406,  -5.852,  -0.014)  ( 0.04,  0.01,  0.00)
164:     torsion (  0.184,  -1.989,  -0.339)  (  0.185,  -1.989,  -0.339)  ( 0.00,  0.01,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.463,  -3.294,  -7.182)  ( -5.463,  -3.294,  -7.182)  ( 0.00,  0.00,  0.00)
164:     electro ( -7.762,  -2.986, -11.154)  ( -7.762,  -2.986, -11.154)  ( 0.00,  0.00,  0.00)
164:  5       ( 15.784,  -6.823, -14.411)  ( 15.790,  -6.817, -14.405)  ( 0.03,  0.08,  0.04)
164:     bond    ( 13.334,   0.629,  -1.309)  ( 13.339,   0.633,  -1.305)  ( 0.04,  0.25,  0.29)
164:     angle   (  2.816, -10.985,  -2.204)  (  2.818, -10.983,  -2.202)  ( 0.07,  0.02,  0.10)
164:     strbnd  ( -8.882,  -0.451,   0.327)  ( -8.883,  -0.452,   0.326)  ( 0.02,  0.02,  0.01)
164:     torsion (  0.798,   1.843,  -1.911)  (  0.798,   1.843,  -1.911)  ( 0.00,  0.01,  0.01)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  7.392,   1.990,  -5.711)  (  7.392,   1.990,  -5.711)  ( 0.00,  0.00,  0.00)
164:     electro (  0.327,   0.152,  -3.602)  (  0.327,   0.152,  -3.602)  ( 0.00,  0.00,  0.00)
164:  6       ( 23.240,  20.461, -25.217)  ( 23.246,  20.467, -25.212)  ( 0.03,  0.03,  0.02)
164:     bond    (  5.775,   7.666, -25.091)  (  5.778,   7.670, -25.086)  ( 0.07,  0.05,  0.02)
164:     angle   (  1.263,   4.370, -10.670)  (  1.265,   4.372, -10.668)  ( 0.18,  0.05,  0.02)
164:     strbnd  (  1.829,   0.313,   6.376)  (  1.828,   0.312,   6.375)  ( 0.03,  0.02,  0.02)
164:     torsion (  2.320,   0.305,   0.903)  (  2.321,   0.305,   0.903)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  7.013,   1.540,  -5.601)  (  7.013,   1.540,  -5.601)  ( 0.00,  0.00,  0.00)
164:     electro (  5.041,   6.267,   8.866)  (  5.041,   6.267,   8.865)  ( 0.00,  0.00,  0.00)
164:  7       ( -5.321,  -8.169,  -8.288)  ( -5.316,  -8.164,  -8.283)  ( 0.11,  0.07,  0.07)
164:     bond    ( -5.766,  -6.148,  -8.390)  ( -5.762,  -6.144,  -8.385)  ( 0.07,  0.07,  0.05)
164:     angle   ( -0.655,  -5.211,  -2.282)  ( -0.653,  -5.209,  -2.280)  ( 0.12,  0.03,  0.08)
164:     strbnd  (  5.025,   4.822,   7.145)  (  5.024,   4.821,   7.144)  ( 0.01,  0.02,  0.01)
164:     torsion (  0.524,  -0.894,   0.352)  (  0.524,  -0.894,   0.352)  ( 0.00,  0.01,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -4.384,  -0.621,  -5.255)  ( -4.383,  -0.621,  -5.255)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.066,  -0.117,   0.141)  ( -0.066,  -0.117,   0.141)  ( 0.00,  0.00,  0.00)
164:  8       ( -6.827,  14.475,  22.925)  ( -6.821,  14.475,  22.975)  ( 0.08,  0.00,  0.22)
164:     bond    ( 11.385, -12.341, -10.198)  ( 11.388, -12.332, -10.191)  ( 0.03,  0.07,  0.07)
164:     angle   (-32.172,  28.633,  36.543)  (-32.169,  28.635,  36.546)  ( 0.01,  0.01,  0.01)
164:     strbnd  ( 23.556,  -6.610,  -5.451)  ( 23.555,  -6.611,  -5.452)  ( 0.00,  0.02,  0.02)
164:     torsion (  0.338,  -1.851,   0.344)  (  0.338,  -1.851,   0.344)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.005,   0.056,  -0.231)  ( -0.004,   0.046,  -0.190)  ( 0.00,  0.06,  0.96)
164:     vdw     (  1.478,   1.254,   4.534)  (  1.478,   1.254,   4.535)  ( 0.01,  0.00,  0.00)
164:     electro (-11.406,   5.334,  -2.617)  (-11.406,   5.334,  -2.617)  ( 0.00,  0.00,  0.00)
164:  9       (  5.719, -19.054, -11.028)  (  5.721, -19.052, -11.021)  ( 0.03,  0.01,  0.06)
164:     bond    (  1.485,   1.600,  -4.386)  (  1.486,   1.600,  -4.380)  ( 0.05,  0.05,  0.14)
164:     angle   (  5.763, -17.078,  -4.285)  (  5.764, -17.078,  -4.285)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( -0.447,  -2.536,   3.420)  ( -0.447,  -2.536,   3.420)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.480,   0.079,   0.191)  (  0.480,   0.079,   0.191)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.856,   0.959,   2.952)  (  1.856,   0.959,   2.952)  ( 0.00,  0.00,  0.00)
164:     electro ( -3.417,  -2.078,  -8.920)  ( -3.417,  -2.078,  -8.920)  ( 0.00,  0.00,  0.00)
164: 10       ( 10.482,  -6.063, -18.767)  ( 10.483,  -6.056, -18.766)  ( 0.01,  0.12,  0.01)
164:     bond    (  0.309,  -3.128,   0.485)  (  0.309,  -3.121,   0.485)  ( 0.00,  0.24,  0.01)
164:     angle   ( 15.756,  -0.811, -15.260)  ( 15.757,  -0.811, -15.259)  ( 0.00,  0.00,  0.01)
164:     strbnd  (  0.664,   2.939,  -1.490)  (  0.664,   2.939,  -1.490)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.106,  -0.157,  -0.307)  ( -1.106,  -0.157,  -0.307)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.387,   3.365,   2.847)  ( -2.387,   3.365,   2.847)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.755,  -8.271,  -5.043)  ( -2.755,  -8.271,  -5.043)  ( 0.00,  0.00,  0.00)
164: 11       (-10.638,  -8.900,  -5.709)  (-10.635,  -8.866,  -5.820)  ( 0.03,  0.38,  1.94)
164:     bond    ( -6.709,   1.922,   1.059)  ( -6.705,   1.927,   1.060)  ( 0.06,  0.26,  0.04)
164:     angle   ( 24.355, -15.184, -15.338)  ( 24.357, -15.182, -15.338)  ( 0.01,  0.01,  0.00)
164:     strbnd  (-18.936,   1.986,   0.297)  (-18.936,   1.986,   0.297)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.305,  -0.296,   4.647)  (  0.305,  -0.296,   4.648)  ( 0.00,  0.00,  0.02)
164:     oop     (  0.009,  -0.160,   0.679)  (  0.007,  -0.133,   0.566)  ( 0.00,  0.43,  7.65)
164:     vdw     ( -9.578,   2.904,   3.010)  ( -9.577,   2.904,   3.010)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.085,  -0.071,  -0.064)  ( -0.085,  -0.071,  -0.064)  ( 0.00,  0.00,  0.00)
164: 12       (-21.260,  -0.793,  -2.235)  (-21.252,  -0.800,  -2.173)  ( 0.04,  0.56,  2.79)
164:     bond    (  1.922,   0.917,   0.032)  (  1.927,   0.922,   0.032)  ( 0.28,  0.47,  0.00)
164:     angle   ( -9.984,   2.922,   1.064)  ( -9.983,   2.923,   1.065)  ( 0.02,  0.05,  0.01)
164:     strbnd  (-10.267,   7.335,   1.838)  (-10.267,   7.335,   1.838)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.034,   0.453,  -2.054)  ( -0.034,   0.453,  -2.053)  ( 0.00,  0.00,  0.06)
164:     oop     ( -0.004,   0.086,  -0.378)  ( -0.003,   0.072,  -0.317)  ( 0.00,  0.12,  2.29)
164:     vdw     ( -6.756, -10.594,  -1.657)  ( -6.755, -10.594,  -1.657)  ( 0.00,  0.00,  0.00)
164:     electro (  3.862,  -1.910,  -1.080)  (  3.862,  -1.910,  -1.080)  ( 0.00,  0.00,  0.00)
164: 13       ( 11.035, -18.539,  -9.258)  ( 11.043, -18.545,  -9.206)  ( 0.07,  0.03,  0.56)
164:     bond    (  3.557,   7.206,   1.481)  (  3.562,   7.211,   1.482)  ( 0.15,  0.07,  0.03)
164:     angle   (  3.498, -21.802,  -5.738)  (  3.500, -21.801,  -5.738)  ( 0.04,  0.01,  0.00)
164:     strbnd  ( 11.124,   5.598,   1.224)  ( 11.124,   5.598,   1.224)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.010,   0.214,  -0.783)  ( -0.010,   0.214,  -0.782)  ( 0.00,  0.00,  0.10)
164:     oop     ( -0.007,   0.075,  -0.292)  ( -0.006,   0.062,  -0.242)  ( 0.00,  0.09,  1.46)
164:     vdw     ( -8.946,  -9.231,  -4.972)  ( -8.946,  -9.231,  -4.972)  ( 0.00,  0.00,  0.00)
164:     electro (  1.819,  -0.598,  -0.177)  (  1.819,  -0.598,  -0.177)  ( 0.00,  0.00,  0.00)
164: 14       (-13.572,  -2.062,   4.766)  (-13.566,  -2.037,   4.696)  ( 0.04,  1.21,  1.46)
164:     bond    (-26.978,  13.126,   4.300)  (-26.972,  13.131,   4.300)  ( 0.02,  0.03,  0.01)
164:     angle   (-18.118,  -9.493,   4.254)  (-18.116,  -9.491,   4.254)  ( 0.01,  0.02,  0.00)
164:     strbnd  ( 29.827,  -3.579,  -1.396)  ( 29.826,  -3.579,  -1.395)  ( 0.00,  0.00,  0.01)
164:     torsion ( -0.134,  -1.037,   2.744)  ( -0.134,  -1.037,   2.746)  ( 0.00,  0.01,  0.04)
164:     oop     (  0.011,  -0.106,   0.410)  (  0.009,  -0.087,   0.339)  ( 0.00,  0.20,  2.94)
164:     vdw     (  1.699,  -1.418,  -5.301)  (  1.699,  -1.418,  -5.301)  ( 0.01,  0.01,  0.00)
164:     electro (  0.121,   0.445,  -0.246)  (  0.121,   0.445,  -0.246)  ( 0.00,  0.00,  0.00)
164: 15       ( 12.500, -13.787,  -4.766)  ( 12.462, -13.787,  -4.588)  ( 0.30,  0.01,  3.74)
164:     bond    ( -5.136, -10.558,  -3.032)  ( -5.131, -10.553,  -3.032)  ( 0.09,  0.04,  0.02)
164:     angle   (  2.758, -11.175,   3.017)  (  2.760, -11.174,   3.017)  ( 0.07,  0.02,  0.00)
164:     strbnd  (  9.858,  -2.806,  -1.156)  (  9.859,  -2.806,  -1.156)  ( 0.00,  0.00,  0.01)
164:     torsion ( -0.006,   0.855,  -3.398)  ( -0.006,   0.855,  -3.397)  ( 0.00,  0.01,  0.04)
164:     oop     (  0.274,   0.043,  -1.066)  (  0.229,   0.036,  -0.889)  ( 1.23,  0.03, 16.55)
164:     vdw     (  6.480,   9.337,   1.077)  (  6.480,   9.337,   1.077)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.729,   0.517,  -0.209)  ( -1.729,   0.517,  -0.209)  ( 0.00,  0.00,  0.00)
164: 16       (-16.865,  18.909,   6.325)  (-16.857,  18.931,   6.271)  ( 0.04,  0.12,  0.85)
164:     bond    (  8.237,  -4.438,  -0.410)  (  8.242,  -4.433,  -0.410)  ( 0.06,  0.11,  0.02)
164:     angle   (-15.113,  19.214,   5.231)  (-15.111,  19.215,   5.231)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -4.665,  -2.331,  -0.554)  ( -4.666,  -2.331,  -0.554)  ( 0.00,  0.01,  0.00)
164:     torsion (  0.007,   0.399,  -1.363)  (  0.007,   0.399,  -1.362)  ( 0.00,  0.00,  0.09)
164:     oop     ( -0.002,  -0.093,   0.333)  ( -0.001,  -0.078,   0.278)  ( 0.00,  0.14,  1.84)
164:     vdw     ( -7.680,   8.051,   3.527)  ( -7.680,   8.051,   3.527)  ( 0.00,  0.00,  0.00)
164:     electro (  2.351,  -1.893,  -0.439)  (  2.351,  -1.893,  -0.439)  ( 0.00,  0.00,  0.00)
164: 17       ( -6.733,  21.609,   7.933)  ( -6.728,  21.608,   7.955)  ( 0.08,  0.00,  0.28)
164:     bond    (  2.115,   1.161,  -0.091)  (  2.119,   1.164,  -0.091)  ( 0.20,  0.31,  0.00)
164:     angle   ( 25.721,  28.686,   2.043)  ( 25.721,  28.687,   2.043)  ( 0.00,  0.00,  0.01)
164:     strbnd  (-34.795,  -0.918,   2.926)  (-34.795,  -0.918,   2.926)  ( 0.00,  0.00,  0.01)
164:     torsion (  0.088,  -0.609,   5.097)  (  0.088,  -0.609,   5.098)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.003,   0.029,  -0.113)  ( -0.002,   0.024,  -0.092)  ( 0.00,  0.02,  0.25)
166:     electro ( -0.472,   0.102,   0.028)  ( -0.472,   0.102,   0.028)  ( 0.00,  0.00,  0.00)
166: 29       (  6.269,   4.842,  17.665)  (  6.271,   4.844,  17.666)  ( 0.04,  0.03,  0.00)
166:     bond    ( 13.347,   7.815,   1.928)  ( 13.349,   7.816,   1.928)  ( 0.02,  0.01,  0.01)
166:     angle   ( -3.942,   1.678,  20.486)  ( -3.942,   1.679,  20.487)  ( 0.01,  0.03,  0.00)
166:     strbnd  ( -1.485,  -0.391,  -0.372)  ( -1.485,  -0.391,  -0.372)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.296,   0.484,   0.090)  ( -0.296,   0.484,   0.090)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.355,  -4.745,  -4.467)  ( -1.355,  -4.744,  -4.467)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 30       ( -8.350,   0.131,  25.967)  ( -8.349,   0.134,  25.968)  ( 0.01,  0.04,  0.00)
166:     bond    ( -1.481,  11.557,   2.165)  ( -1.481,  11.560,   2.165)  ( 0.01,  0.03,  0.01)
166:     angle   ( -9.788,  -6.150,  26.139)  ( -9.788,  -6.150,  26.139)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  0.626,  -4.365,  -1.021)  (  0.626,  -4.365,  -1.021)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.782,   0.049,   0.957)  (  1.782,   0.049,   0.957)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.511,  -0.961,  -2.273)  (  0.511,  -0.961,  -2.273)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 31       (-14.899,  11.820,  16.748)  (-14.898,  11.820,  16.750)  ( 0.01,  0.01,  0.01)
166:     bond    (  5.176,  -2.757,  10.225)  (  5.177,  -2.757,  10.227)  ( 0.01,  0.01,  0.02)
166:     angle   (-19.241,  13.946,  13.498)  (-19.241,  13.947,  13.498)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( -2.072,   1.072,  -4.471)  ( -2.072,   1.072,  -4.471)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.541,   0.941,  -0.020)  (  0.541,   0.941,  -0.020)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.698,  -1.382,  -2.484)  (  0.698,  -1.382,  -2.484)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 32       ( -4.993,  10.176,  24.023)  ( -4.991,  10.177,  24.024)  ( 0.05,  0.01,  0.00)
166:     bond    (-10.690,  -3.803,   2.337)  (-10.687,  -3.803,   2.338)  ( 0.02,  0.01,  0.01)
166:     angle   (  0.606,  13.614,  24.917)  (  0.606,  13.614,  24.917)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  3.553,   1.168,  -0.972)  (  3.553,   1.168,  -0.972)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.030,   0.061,  -0.037)  ( -0.030,   0.061,  -0.037)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.567,  -0.863,  -2.222)  (  1.567,  -0.863,  -2.222)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 33       ( 19.334, -14.895, -24.368)  ( 19.332, -14.890, -24.369)  ( 0.01,  0.03,  0.00)
166:     bond    ( -4.753, -12.511,   5.560)  ( -4.753, -12.507,   5.561)  ( 0.01,  0.03,  0.01)
166:     angle   ( 21.861, -17.415, -20.481)  ( 21.860, -17.414, -20.482)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  2.809,   8.054,  -3.331)  (  2.809,   8.054,  -3.331)  ( 0.00,  0.00,  0.00)
166:     torsion ( -6.332,  -0.435,  -6.389)  ( -6.334,  -0.435,  -6.390)  ( 0.02,  0.00,  0.02)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.007,   0.074,  -0.052)  (  0.007,   0.074,  -0.052)  ( 0.00,  0.00,  0.00)
166:     electro (  5.743,   7.338,   0.326)  (  5.743,   7.338,   0.326)  ( 0.00,  0.00,  0.00)
166: ok 30 # gradients 
166: ok 31 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
166:  1       ( -0.255,  -0.617,   1.068)  ( -0.201,  -0.530,   0.886)  ( 1.38,  5.33, 17.03)
166:     bond    (  6.922,   0.175,   2.287)  (  6.926,   0.180,   2.292)  ( 0.06,  0.08,  0.20)
166:     angle   ( -5.931,   2.410,   0.271)  ( -5.930,   2.412,   0.272)  ( 0.03,  0.08,  0.04)
166:     strbnd  (  0.198,   0.872,   0.213)  (  0.197,   0.872,   0.213)  ( 0.01,  0.04,  0.01)
166:     torsion (  0.468,  -0.938,  -1.518)  (  0.468,  -0.938,  -1.518)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.334,  -0.538,   1.283)  ( -0.285,  -0.457,   1.096)  ( 1.63,  4.32, 14.61)
166:     vdw     ( -0.832,  -1.739,  -0.997)  ( -0.832,  -1.739,  -0.997)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.746,  -0.859,  -0.471)  ( -0.746,  -0.859,  -0.471)  ( 0.00,  0.00,  0.00)
166:  2       (  0.399,   1.062,  -2.385)  (  0.187,   0.693,  -1.476)  ( 8.42, 34.69, 38.11)
166:     bond    ( -2.739,   1.957,  -0.129)  ( -2.733,   1.965,  -0.128)  ( 0.24,  0.42,  0.02)
166:     angle   ( 14.443,  -7.136,   1.147)  ( 14.446,  -7.134,   1.148)  ( 0.02,  0.02,  0.06)
166:     strbnd  ( -7.334,   6.670,   1.385)  ( -7.335,   6.668,   1.385)  ( 0.01,  0.03,  0.02)
166:     torsion ( -0.041,   0.220,   0.015)  ( -0.041,   0.220,   0.016)  ( 0.00,  0.00,  0.00)
166:     oop     (  1.254,   2.136,  -5.164)  (  1.034,   1.760,  -4.257)  (17.50, 17.63, 17.56)
166:     vdw     ( -4.625,  -1.230,  -1.537)  ( -4.625,  -1.230,  -1.537)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.559,  -1.556,   1.897)  ( -0.559,  -1.556,   1.897)  ( 0.00,  0.00,  0.00)
166:  3       (  0.099,  -0.104,  -0.377)  (  0.100,  -0.101,  -0.376)  ( 0.01,  0.03,  0.02)
166:     bond    (  0.134,   0.394,  -0.032)  (  0.135,   0.397,  -0.032)  ( 0.00,  0.12,  0.00)
166:     angle   (  1.589,  -0.626,  -1.067)  (  1.590,  -0.626,  -1.067)  ( 0.03,  0.00,  0.04)
166:     strbnd  (  0.319,   0.162,   0.070)  (  0.319,   0.162,   0.070)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.213,   0.132,   0.739)  ( -0.213,   0.132,   0.739)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.730,  -0.167,  -0.086)  ( -1.730,  -0.167,  -0.086)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  4       (  0.072,   0.361,  -0.277)  (  0.073,   0.362,  -0.276)  ( 0.01,  0.05,  0.04)
166:     bond    (  0.230,  -0.232,  -0.242)  (  0.231,  -0.231,  -0.241)  ( 0.03,  0.03,  0.03)
166:     angle   (  3.596,   2.214,   1.320)  (  3.596,   2.214,   1.320)  ( 0.01,  0.01,  0.02)
166:     strbnd  (  0.657,  -0.379,  -0.320)  (  0.657,  -0.379,  -0.320)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.067,   0.385,  -0.305)  (  0.067,   0.385,  -0.305)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -4.478,  -1.627,  -0.730)  ( -4.478,  -1.627,  -0.730)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  5       ( -0.048,   0.159,   0.077)  ( -0.047,   0.160,   0.080)  ( 0.00,  0.01,  0.02)
166:     bond    (  0.002,  -0.007,   0.018)  (  0.002,  -0.007,   0.021)  ( 0.00,  0.00,  0.01)
166:     angle   (  0.435,  -0.097,  -0.074)  (  0.436,  -0.096,  -0.074)  ( 0.02,  0.00,  0.00)
166:     strbnd  (  0.316,  -0.158,   0.593)  (  0.316,  -0.158,   0.593)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.071,   0.501,   0.170)  ( -0.071,   0.501,   0.170)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.730,  -0.080,  -0.631)  ( -0.730,  -0.080,  -0.631)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  6       ( -0.044,  -0.320,   0.515)  (  0.046,  -0.160,   0.153)  ( 0.39,  5.13, 18.69)
166:     bond    ( -2.835,   3.345,   0.762)  ( -2.831,   3.350,   0.763)  ( 0.13,  0.16,  0.02)
166:     angle   ( -1.494,  -1.139,  -0.542)  ( -1.493,  -1.138,  -0.541)  ( 0.03,  0.02,  0.01)
166:     strbnd  (  7.239,  -8.454,  -1.930)  (  7.239,  -8.454,  -1.930)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.145,   0.220,  -0.431)  (  0.145,   0.220,  -0.431)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.410,  -0.742,   1.739)  ( -0.325,  -0.588,   1.376)  ( 3.49, 11.48, 20.89)
166:     vdw     ( -4.309,  -6.669,  -2.520)  ( -4.309,  -6.669,  -2.520)  ( 0.00,  0.00,  0.00)
166:     electro (  1.620,  13.118,   3.437)  (  1.620,  13.118,   3.437)  ( 0.00,  0.00,  0.00)
166:  7       ( -1.084,  -2.080,   4.678)  ( -0.929,  -1.820,   4.094)  (14.27, 12.52, 12.48)
166:     bond    ( 17.866,  -2.904,   4.744)  ( 17.871,  -2.899,   4.745)  ( 0.03,  0.18,  0.03)
166:     angle   ( -8.512,  -0.397,  -1.184)  ( -8.510,  -0.396,  -1.183)  ( 0.02,  0.07,  0.06)
166:     strbnd  (  0.437,  -1.121,  -0.832)  (  0.437,  -1.122,  -0.833)  ( 0.02,  0.06,  0.02)
166:     torsion ( -1.314,  -1.588,   4.757)  ( -1.314,  -1.588,   4.757)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.890,  -1.592,   3.617)  ( -0.742,  -1.338,   3.031)  (13.16, 15.96, 16.21)
166:     vdw     (  1.892,   2.121,   0.955)  (  1.893,   2.121,   0.955)  ( 0.01,  0.00,  0.00)
166:     electro (-10.563,   3.402,  -7.378)  (-10.563,   3.402,  -7.378)  ( 0.00,  0.00,  0.00)
166:  8       (  0.362,   0.876,  -1.744)  (  0.339,   0.818,  -1.626)  ( 0.81,  5.07,  6.74)
166:     bond    ( -1.088,   0.983,   0.272)  ( -1.086,   0.985,   0.272)  ( 0.24,  0.21,  0.00)
166:     angle   ( -1.860,  -1.398,  -2.356)  ( -1.859,  -1.398,  -2.356)  ( 0.02,  0.02,  0.01)
166:     strbnd  ( -0.431,   2.009,   1.109)  ( -0.431,   2.009,   1.109)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.185,   0.569,  -1.322)  (  0.185,   0.569,  -1.322)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.183,   0.439,  -0.858)  (  0.158,   0.378,  -0.741)  ( 0.46,  2.64, 10.05)
166:     vdw     (  1.404,   2.236,   1.130)  (  1.404,   2.236,   1.130)  ( 0.00,  0.00,  0.00)
166:     electro (  1.969,  -3.962,   0.282)  (  1.969,  -3.962,   0.282)  ( 0.00,  0.00,  0.00)
166:  9       ( -0.244,   0.022,  -1.499)  (  0.767,   0.942,  -1.037)  (24.71,  1.98, 30.81)
166:     bond    ( -7.812,  -8.638,  -5.588)  ( -7.808,  -8.633,  -5.586)  ( 0.05,  0.05,  0.04)
166:     angle   ( 12.778,  11.374,  19.741)  ( 12.780,  11.376,  19.743)  ( 0.02,  0.02,  0.01)
166:     strbnd  (  4.362,   3.842,  -7.340)  (  4.361,   3.842,  -7.341)  ( 0.02,  0.02,  0.01)
166:     torsion ( -1.339,  -2.456,  -4.051)  ( -1.339,  -2.456,  -4.051)  ( 0.00,  0.00,  0.00)
166:     oop     ( -4.053,  -4.498,  -2.741)  ( -3.047,  -3.584,  -2.283)  (24.82, 20.32, 16.71)
166:     vdw     (  0.230,   3.142,   1.240)  (  0.230,   3.143,   1.240)  ( 0.00,  0.00,  0.00)
166:     electro ( -4.410,  -2.746,  -2.761)  ( -4.410,  -2.746,  -2.761)  ( 0.00,  0.00,  0.00)
166: 10       ( -2.185,  -5.140,  -3.398)  ( -2.240,  -4.992,  -3.264)  ( 2.50,  2.89,  3.97)
166:     bond    ( -0.630,   1.775,  12.572)  ( -0.627,   1.778,  12.577)  ( 0.18,  0.16,  0.04)
166:     angle   (  6.045,   0.014, -16.923)  (  6.048,   0.016, -16.921)  ( 0.04,  0.00,  0.01)
166:     strbnd  ( -7.393,  -1.780,  -1.355)  ( -7.394,  -1.782,  -1.356)  ( 0.01,  0.08,  0.05)
166:     torsion ( -2.978,   1.047,  -0.463)  ( -2.978,   1.047,  -0.463)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.874,  -2.291,  -1.521)  ( -0.933,  -2.145,  -1.392)  ( 5.17,  6.34,  8.45)
166:     vdw     (  2.417,   3.304,   0.233)  (  2.417,   3.304,   0.233)  ( 0.00,  0.00,  0.00)
166:     electro (  1.227,  -7.208,   4.059)  (  1.227,  -7.208,   4.059)  ( 0.00,  0.00,  0.00)
166: 11       (  3.745,  17.929,   6.367)  (  4.378,  17.893,   6.474)  (16.89,  0.20,  1.69)
166:     bond    ( 10.742,   6.592,  -1.930)  ( 10.747,   6.594,  -1.926)  ( 0.05,  0.02,  0.18)
166:     angle   ( -4.937, -17.076,   7.817)  ( -4.936, -17.075,   7.819)  ( 0.04,  0.01,  0.03)
166:     strbnd  ( -1.830,  -0.656,   3.895)  ( -1.830,  -0.657,   3.894)  ( 0.03,  0.03,  0.01)
166:     torsion (  5.606,  14.261,  -6.736)  (  5.606,  14.261,  -6.736)  ( 0.00,  0.00,  0.00)
166:     oop     ( -1.916,   3.215,   0.391)  ( -1.291,   3.177,   0.494)  (32.66,  1.18,  4.02)
166:     vdw     ( -1.251,   1.961,   1.619)  ( -1.251,   1.961,   1.619)  ( 0.01,  0.00,  0.00)
166:     electro ( -2.668,   9.632,   1.310)  ( -2.668,   9.632,   1.309)  ( 0.00,  0.00,  0.00)
166: 12       ( -0.015,  -0.043,  -0.016)  ( -0.014,  -0.042,  -0.013)  ( 0.00,  0.01,  0.00)
166:     bond    ( -0.064,  -0.227,  -0.383)  ( -0.063,  -0.226,  -0.380)  ( 0.00,  0.02,  0.10)
166:     angle   ( -5.122,  -0.874,   1.372)  ( -5.121,  -0.873,   1.372)  ( 0.01,  0.03,  0.01)
166:     strbnd  (  0.712,   0.432,   0.989)  (  0.712,   0.432,   0.989)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.289,  -0.711,   0.374)  (  0.289,  -0.711,   0.374)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.169,   1.337,  -2.368)  (  4.169,   1.337,  -2.368)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 13       (  0.009,  -0.036,  -0.036)  (  0.011,  -0.034,  -0.035)  ( 0.00,  0.01,  0.00)
166:     bond    (  7.080, -17.260,   8.482)  (  7.081, -17.259,   8.482)  ( 0.02,  0.01,  0.00)
166:     angle   ( -5.148,   2.623,  -1.308)  ( -5.148,   2.624,  -1.307)  ( 0.00,  0.03,  0.05)
166:     strbnd  ( -0.387,   6.300,  -1.373)  ( -0.387,   6.299,  -1.373)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.837,   0.450,   0.871)  (  0.837,   0.450,   0.871)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.152,   6.289,  -6.678)  ( -2.152,   6.289,  -6.677)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.220,   1.563,  -0.030)  ( -0.220,   1.563,  -0.030)  ( 0.00,  0.00,  0.00)
166: 14       (  0.757,  -0.748,   0.385)  ( -3.436,  -5.579,  -1.228)  (317.23, 361.26, 62.00)
166:     bond    (  1.728,   7.650, -26.617)  (  1.731,   7.651, -26.606)  ( 0.18,  0.02,  0.04)
166:     angle   (-12.444,  -3.256,  -6.802)  (-12.443,  -3.255,  -6.800)  ( 0.01,  0.03,  0.03)
166:     strbnd  ( -0.283,  -8.072,  23.375)  ( -0.284,  -8.072,  23.374)  ( 0.01,  0.00,  0.01)
166:     torsion ( -1.040,  -7.523,   2.789)  ( -1.040,  -7.523,   2.789)  ( 0.01,  0.00,  0.00)
166:     oop     ( 13.584,  16.275,   6.445)  (  9.386,  11.441,   4.821)  (30.90, 29.70, 25.21)
166:     vdw     ( -7.544,  -1.421,   3.983)  ( -7.544,  -1.421,   3.983)  ( 0.00,  0.00,  0.00)
166:     electro (  6.757,  -4.401,  -2.789)  (  6.757,  -4.401,  -2.789)  ( 0.00,  0.00,  0.00)
166: 15       (  0.005,   0.033,  -0.033)  (  0.006,   0.036,  -0.032)  ( 0.00,  0.01,  0.00)
166:     bond    ( -0.124,  -3.231,  -0.971)  ( -0.124,  -3.228,  -0.971)  ( 0.00,  0.10,  0.03)
166:     angle   (  4.975,   0.074,  -0.882)  (  4.976,   0.074,  -0.882)  ( 0.01,  0.00,  0.04)
166:     strbnd  ( -1.156,   1.633,  -0.157)  ( -1.156,   1.633,  -0.157)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.003,  -0.118,   0.391)  ( -0.003,  -0.118,   0.391)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.688,   1.674,   1.586)  ( -3.688,   1.674,   1.586)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 16       ( -2.859,  -3.548,  -1.151)  ( -0.202,  -0.378,  -0.176)  (92.93, 89.34, 84.72)
166:     bond    ( -4.283,  -2.663,  20.496)  ( -4.282,  -2.663,  20.505)  ( 0.01,  0.00,  0.05)
166:     angle   ( -0.168,   2.881,   0.339)  ( -0.168,   2.882,   0.339)  ( 0.01,  0.01,  0.00)
166:     strbnd  (  4.201,   1.886, -19.314)  (  4.201,   1.886, -19.314)  ( 0.00,  0.01,  0.00)
166:     torsion (  1.428,   2.859,   0.669)  (  1.428,   2.859,   0.669)  ( 0.00,  0.00,  0.00)
166:     oop     ( -7.000,  -8.683,  -2.589)  ( -4.344,  -5.513,  -1.623)  (37.94, 36.51, 37.31)
166:     vdw     ( -3.415,  -0.431,   2.105)  ( -3.415,  -0.431,   2.105)  ( 0.00,  0.00,  0.00)
166:     electro (  6.378,   0.602,  -2.858)  (  6.378,   0.602,  -2.858)  ( 0.00,  0.00,  0.00)
166: 17       (  0.002,   0.044,  -0.035)  (  0.007,   0.048,  -0.031)  ( 0.00,  0.02,  0.02)
166:     bond    ( -7.091,   2.130,  -1.977)  ( -7.088,   2.132,  -1.974)  ( 0.05,  0.14,  0.17)
166:     angle   (  4.462,   8.345,  -1.889)  (  4.464,   8.347,  -1.887)  ( 0.04,  0.02,  0.09)
166:     strbnd  (  3.433,  -7.634,   3.029)  (  3.432,  -7.635,   3.028)  ( 0.02,  0.01,  0.02)
166:     torsion ( -1.315,  -0.128,  -0.321)  ( -1.315,  -0.128,  -0.321)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.436,   1.064,  -0.784)  (  0.436,   1.064,  -0.784)  ( 0.00,  0.00,  0.00)
166:     electro (  0.078,  -3.732,   1.907)  (  0.078,  -3.732,   1.907)  ( 0.00,  0.00,  0.00)
166: 18       (  1.407,  -7.885,  -2.678)  (  1.645,  -7.234,  -2.828)  (16.96,  8.25,  5.60)
166:     bond    (  2.690,  -5.259,  -9.175)  (  2.694,  -5.255,  -9.171)  ( 0.14,  0.07,  0.05)
166:     angle   (  0.459,   8.749,   5.203)  (  0.461,   8.751,   5.206)  ( 0.09,  0.02,  0.04)
166:     strbnd  (  3.654,  -2.284,  -2.072)  (  3.653,  -2.285,  -2.073)  ( 0.03,  0.02,  0.02)
166:     torsion (  2.895,  -5.723,   2.052)  (  2.895,  -5.723,   2.052)  ( 0.00,  0.00,  0.00)
166:     oop     ( -1.124,  -3.995,   0.695)  ( -0.890,  -3.350,   0.539)  (20.81, 16.16, 10.85)
166:     vdw     (  0.057,  -1.642,   0.671)  (  0.057,  -1.642,   0.671)  ( 0.00,  0.00,  0.00)
166:     electro ( -7.224,   2.269,  -0.051)  ( -7.224,   2.269,  -0.051)  ( 0.00,  0.00,  0.00)
166: 19       (  0.014,  -0.054,   0.035)  (  0.020,  -0.048,   0.040)  ( 0.01,  0.03,  0.02)
166:     bond    ( -4.572,   7.582,   9.251)  ( -4.568,   7.586,   9.256)  ( 0.10,  0.06,  0.05)
166:     angle   (  4.311, -10.172,  -3.123)  (  4.312, -10.170,  -3.121)  ( 0.04,  0.02,  0.06)
166:     strbnd  ( -2.161,   2.017,   1.879)  ( -2.161,   2.016,   1.878)  ( 0.02,  0.03,  0.04)
166:     torsion ( -0.707,  -0.056,  -0.329)  ( -0.707,  -0.056,  -0.328)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.144,   0.575,  -7.644)  (  3.144,   0.575,  -7.644)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 20       (  0.055,   0.023,  -0.083)  (  0.061,   0.028,  -0.077)  ( 0.03,  0.01,  0.05)
166:     bond    ( -7.858,  -5.077,  -5.109)  ( -7.854,  -5.072,  -5.105)  ( 0.05,  0.09,  0.09)
166:     angle   (  6.358,   2.036,   6.266)  (  6.360,   2.038,   6.268)  ( 0.03,  0.09,  0.03)
166:     strbnd  ( -2.171,  -0.422,  -1.231)  ( -2.172,  -0.423,  -1.232)  ( 0.04,  0.02,  0.05)
166:     torsion (  0.971,  -0.883,  -0.568)  (  0.971,  -0.883,  -0.568)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.756,   4.369,   0.559)  (  2.756,   4.369,   0.559)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 21       ( -0.137,  -0.079,   0.370)  ( -1.098,  -0.257,   1.165)  (13.13,  1.41, 29.42)
166:     bond    ( -7.303,  18.452,  -4.755)  ( -7.301,  18.461,  -4.751)  ( 0.03,  0.05,  0.10)
166:     angle   ( 11.493, -17.158,   1.980)  ( 11.494, -17.156,   1.981)  ( 0.01,  0.01,  0.07)
166:     strbnd  ( -4.739,   3.053,  -5.420)  ( -4.739,   3.052,  -5.421)  ( 0.01,  0.04,  0.02)
166:     torsion ( -2.717,   0.003,   3.882)  ( -2.716,   0.003,   3.882)  ( 0.00,  0.00,  0.00)
166:     oop     (  5.247,   1.013,  -4.389)  (  4.282,   0.825,  -3.599)  (18.39, 18.57, 18.00)
166:     vdw     ( -2.898,  -4.553,   6.605)  ( -2.898,  -4.553,   6.605)  ( 0.00,  0.00,  0.00)
166:     electro (  0.780,  -0.889,   2.467)  (  0.780,  -0.889,   2.467)  ( 0.00,  0.00,  0.00)
166: 22       ( -0.007,  -0.027,   0.080)  ( -0.006,  -0.025,   0.082)  ( 0.00,  0.00,  0.02)
166:     bond    (  0.328,  -2.247,  -3.859)  (  0.328,  -2.246,  -3.857)  ( 0.00,  0.04,  0.06)
166:     angle   ( -0.121,   1.446,  -0.853)  ( -0.120,   1.446,  -0.853)  ( 0.01,  0.03,  0.01)
166:     strbnd  (  0.002,   0.481,   0.353)  (  0.002,   0.481,   0.353)  ( 0.00,  0.00,  0.00)
166:     torsion ( -2.347,  -0.316,  -0.016)  ( -2.347,  -0.316,  -0.016)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.131,   0.609,   4.454)  (  2.131,   0.609,   4.454)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 23       ( -0.191,  -0.011,   0.189)  (  0.002,   0.035,   0.026)  ( 3.69,  0.05,  3.08)
166:     bond    (  2.346,  -0.713,   2.597)  (  2.348,  -0.708,   2.600)  ( 0.09,  0.35,  0.10)
166:     angle   ( -9.647,   2.693,  -9.181)  ( -9.647,   2.694,  -9.181)  ( 0.00,  0.05,  0.00)
166:     strbnd  (  2.977,   2.363,   3.838)  (  2.977,   2.363,   3.837)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.013,   0.016,  -0.011)  (  0.013,   0.016,  -0.011)  ( 0.00,  0.00,  0.00)
166:     oop     ( -1.579,  -0.309,   1.374)  ( -1.388,  -0.270,   1.208)  (12.09,  1.23, 12.08)
166:     vdw     (  1.642,  -3.834,   1.605)  (  1.642,  -3.834,   1.605)  ( 0.00,  0.00,  0.00)
166:     electro (  4.057,  -0.227,  -0.032)  (  4.057,  -0.227,  -0.032)  ( 0.00,  0.00,  0.00)
166: 24       (  0.004,   0.003,  -0.053)  (  0.005,   0.004,  -0.052)  ( 0.00,  0.00,  0.01)
166:     bond    ( -1.196,   1.182,  -0.827)  ( -1.194,   1.183,  -0.827)  ( 0.12,  0.11,  0.05)
166:     angle   ( -1.332,  -1.852,  -0.728)  ( -1.331,  -1.852,  -0.727)  ( 0.02,  0.02,  0.03)
166:     strbnd  (  0.241,  -1.027,   0.189)  (  0.241,  -1.026,   0.189)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.038,   0.002,   0.057)  ( -0.038,   0.002,   0.057)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.329,   1.697,   1.256)  (  2.329,   1.697,   1.256)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 25       ( -0.012,  -0.040,  -0.043)  ( -0.010,  -0.039,  -0.041)  ( 0.00,  0.01,  0.01)
166:     bond    ( -1.200,  -1.265,   1.435)  ( -1.199,  -1.264,   1.436)  ( 0.08,  0.08,  0.10)
166:     angle   ( -2.311,  -0.524,  -2.391)  ( -2.311,  -0.524,  -2.391)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( -0.046,   0.131,  -0.817)  ( -0.046,   0.131,  -0.817)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.070,  -0.086,  -0.017)  (  0.070,  -0.086,  -0.017)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.476,   1.704,   1.748)  (  3.476,   1.704,   1.748)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 26       (  0.017,   0.031,  -0.062)  (  0.018,   0.032,  -0.060)  ( 0.00,  0.00,  0.01)
166:     bond    (  0.799,  -1.340,  -1.580)  (  0.799,  -1.338,  -1.578)  ( 0.04,  0.09,  0.11)
166:     angle   ( -3.338,  -0.613,  -1.171)  ( -3.337,  -0.613,  -1.171)  ( 0.01,  0.02,  0.02)
166:     strbnd  ( -0.745,   0.134,   0.227)  ( -0.745,   0.134,   0.227)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.007,  -0.067,   0.060)  (  0.007,  -0.067,   0.060)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.293,   1.916,   2.401)  (  3.293,   1.916,   2.401)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 27       ( -0.029,  -0.013,  -0.016)  ( -0.027,  -0.011,  -0.015)  ( 0.01,  0.00,  0.00)
166:     bond    ( -1.391,   1.340,  -0.747)  ( -1.389,   1.342,  -0.747)  ( 0.11,  0.11,  0.03)
166:     angle   ( -1.015,   0.530,   2.839)  ( -1.015,   0.530,   2.840)  ( 0.02,  0.01,  0.02)
166:     strbnd  (  0.553,  -0.368,   1.021)  (  0.553,  -0.368,   1.021)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.250,  -0.232,   0.047)  ( -0.250,  -0.232,   0.047)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.074,  -1.282,  -3.176)  (  2.074,  -1.282,  -3.176)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 28       ( -0.034,  -0.055,  -0.010)  ( -0.032,  -0.053,  -0.008)  ( 0.01,  0.01,  0.00)
166:     bond    (  1.317,   0.998,   0.899)  (  1.318,   0.999,   0.900)  ( 0.13,  0.10,  0.07)
166:     angle   ( -2.910,   1.945,   2.102)  ( -2.910,   1.946,   2.102)  ( 0.01,  0.02,  0.02)
166:     strbnd  ( -0.799,   0.069,   0.229)  ( -0.799,   0.069,   0.229)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.012,   0.069,  -0.059)  ( -0.012,   0.069,  -0.059)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.371,  -3.136,  -3.182)  (  2.371,  -3.135,  -3.182)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 29       ( -0.014,  -0.055,  -0.036)  ( -0.012,  -0.054,  -0.034)  ( 0.00,  0.01,  0.01)
166:     bond    ( -1.198,  -1.403,   1.700)  ( -1.197,  -1.402,   1.701)  ( 0.06,  0.08,  0.09)
166:     angle   ( -1.824,   2.897,   1.105)  ( -1.823,   2.897,   1.105)  ( 0.02,  0.01,  0.02)
166:     strbnd  (  0.202,   1.021,  -0.133)  (  0.202,   1.021,  -0.133)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.274,  -0.031,   0.167)  (  0.274,  -0.031,   0.167)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.531,  -2.539,  -2.875)  (  2.532,  -2.539,  -2.875)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 30       ( -0.010,   0.057,   0.047)  ( -0.010,   0.062,   0.047)  ( 0.00,  0.03,  0.00)
166:     bond    ( -0.177,   0.738,  -0.096)  ( -0.177,   0.743,  -0.096)  ( 0.01,  0.36,  0.00)
166:     angle   (  8.417,   3.317,  10.163)  (  8.417,   3.317,  10.163)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  0.382,  -1.272,   0.256)  (  0.382,  -1.272,   0.256)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.882,   0.111,  -0.766)  (  0.882,   0.111,  -0.766)  ( 0.01,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.106,   0.075,   0.091)  (  0.106,   0.075,   0.091)  ( 0.00,  0.00,  0.00)
166:     electro ( -9.620,  -2.911,  -9.600)  ( -9.620,  -2.911,  -9.600)  ( 0.00,  0.00,  0.00)
166: 31       (  0.125,   0.139,   0.019)  (  0.600,   0.242,  -0.362)  ( 5.95,  1.43,  0.73)
166:     bond    ( -0.691,  -2.922,  -1.578)  ( -0.691,  -2.915,  -1.576)  ( 0.03,  0.24,  0.13)
166:     angle   (-11.279,   8.740, -11.218)  (-11.279,   8.740, -11.218)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( -0.400,   0.562,  -0.346)  ( -0.400,   0.562,  -0.346)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.247,   0.012,  -0.130)  (  0.247,   0.012,  -0.130)  ( 0.00,  0.00,  0.00)
166:     oop     ( -2.089,  -0.433,   1.715)  ( -1.615,  -0.338,   1.332)  (22.71,  4.11, 22.34)
166:     vdw     (  1.193,  -3.724,   0.966)  (  1.193,  -3.724,   0.966)  ( 0.00,  0.00,  0.00)
166:     electro ( 13.145,  -2.096,  10.610)  ( 13.145,  -2.096,  10.610)  ( 0.00,  0.00,  0.00)
166: ok 32 # gradients 
166: ok 33 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
166:  1       ( -0.009,   0.002,  -0.005)  ( -0.001,   0.005,   0.001)  ( 0.01,  0.00,  0.00)
166:     bond    (  9.838,  -1.834,   0.007)  (  9.844,  -1.832,   0.011)  ( 0.07,  0.10,  0.00)
166:     angle   (  6.646,  -1.255,  -0.018)  (  6.648,  -1.254,  -0.017)  ( 0.03,  0.05,  0.00)
166:     strbnd  ( -3.095,   0.579,   0.001)  ( -3.095,   0.579,   0.001)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.001,   0.001,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (-12.705,   2.379,   0.009)  (-12.705,   2.379,   0.009)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.694,   0.130,   0.001)  ( -0.694,   0.130,   0.001)  ( 0.00,  0.00,  0.00)
166:  2       ( -0.094,  -0.071,  -0.108)  ( -0.084,  -0.054,  -0.110)  ( 0.09,  0.12,  0.02)
166:     bond    ( 15.243,  -7.110,  -6.312)  ( 15.248,  -7.108,  -6.308)  ( 0.04,  0.03,  0.07)
166:     angle   ( -4.881,  -0.262,  -1.754)  ( -4.879,  -0.261,  -1.753)  ( 0.04,  0.02,  0.09)
166:     strbnd  ( -1.609,   1.725,   2.154)  ( -1.609,   1.725,   2.154)  ( 0.01,  0.00,  0.01)
166:     torsion (  0.015,   0.078,  -0.054)  (  0.015,   0.079,  -0.054)  ( 0.00,  0.01,  0.00)
166:     oop     ( -0.015,  -0.078,   0.052)  ( -0.012,  -0.066,   0.044)  ( 0.00,  0.10,  0.04)
166:     vdw     ( -8.822,   6.095,   6.582)  ( -8.822,   6.095,   6.582)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.025,  -0.518,  -0.776)  ( -0.025,  -0.518,  -0.776)  ( 0.00,  0.00,  0.00)
166:  3       (  0.182,  -0.012,  -0.057)  (  0.183,  -0.039,  -0.032)  ( 0.02,  0.03,  0.15)
166:     bond    (  0.609,  -8.879, -13.408)  (  0.614,  -8.877, -13.405)  ( 0.30,  0.02,  0.03)
166:     angle   ( -7.772,   3.135,   2.969)  ( -7.770,   3.136,   2.970)  ( 0.02,  0.03,  0.05)
166:     strbnd  (  2.453,  -0.620,  -0.234)  (  2.453,  -0.620,  -0.235)  ( 0.01,  0.01,  0.01)
166:     torsion ( -0.243,   0.162,   0.098)  ( -0.243,   0.163,   0.098)  ( 0.00,  0.01,  0.00)
166:     oop     (  0.034,   0.181,  -0.121)  (  0.028,   0.151,  -0.101)  ( 0.02,  0.55,  0.25)
166:     vdw     (  4.751,   6.373,  11.116)  (  4.751,   6.373,  11.116)  ( 0.00,  0.00,  0.00)
166:     electro (  0.350,  -0.364,  -0.476)  (  0.350,  -0.364,  -0.476)  ( 0.00,  0.00,  0.00)
166:  4       ( -0.195,   0.032,   0.015)  ( -0.188,   0.037,   0.020)  ( 0.13,  0.02,  0.01)
166:     bond    ( -7.919,   1.496,   0.029)  ( -7.915,   1.498,   0.032)  ( 0.06,  0.11,  0.01)
166:     angle   (  7.321,  -1.377,  -0.013)  (  7.323,  -1.376,  -0.012)  ( 0.03,  0.07,  0.00)
166:     strbnd  ( -7.154,   1.339,   0.000)  ( -7.155,   1.339,   0.000)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.002,  -0.005,   0.001)  ( -0.002,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.001,  -0.007,   0.004)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
166:     vdw     (  7.561,  -1.415,  -0.006)  (  7.562,  -1.415,  -0.006)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  5       (  0.098,  -0.057,  -0.028)  (  0.109,  -0.026,  -0.041)  ( 0.11,  0.18,  0.04)
166:     bond    (  3.740,   8.034,  13.340)  (  3.745,   8.036,  13.343)  ( 0.13,  0.02,  0.03)
166:     angle   ( -8.410,  -0.116,  -2.962)  ( -8.408,  -0.115,  -2.960)  ( 0.02,  0.01,  0.05)
166:     strbnd  (  2.516,  -0.308,   0.233)  (  2.515,  -0.309,   0.233)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.284,  -0.056,  -0.104)  ( -0.284,  -0.055,  -0.103)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.031,  -0.165,   0.109)  ( -0.025,  -0.137,   0.091)  ( 0.02,  0.46,  0.20)
166:     vdw     (  2.108,  -7.659, -11.120)  (  2.108,  -7.659, -11.120)  ( 0.00,  0.00,  0.00)
166:     electro (  0.459,   0.213,   0.476)  (  0.459,   0.213,   0.476)  ( 0.00,  0.00,  0.00)
166:  6       ( -0.017,   0.039,   0.055)  ( -0.012,   0.031,   0.069)  ( 0.01,  0.03,  0.08)
166:     bond    ( 16.822,   1.066,   6.232)  ( 16.827,   1.068,   6.236)  ( 0.03,  0.19,  0.07)
166:     angle   ( -4.438,   2.007,   1.762)  ( -4.436,   2.007,   1.763)  ( 0.05,  0.03,  0.09)
166:     strbnd  ( -2.127,  -1.024,  -2.150)  ( -2.127,  -1.024,  -2.150)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.016,  -0.084,   0.056)  ( -0.016,  -0.083,   0.056)  ( 0.00,  0.01,  0.00)
166:     oop     (  0.013,   0.071,  -0.048)  (  0.011,   0.060,  -0.040)  ( 0.00,  0.08,  0.04)
166:     vdw     (-10.436,  -2.488,  -6.572)  (-10.436,  -2.488,  -6.572)  ( 0.00,  0.00,  0.00)
166:     electro (  0.165,   0.492,   0.776)  (  0.165,   0.492,   0.776)  ( 0.00,  0.00,  0.00)
166:  7       (  0.083,   0.029,  -0.027)  (  0.090,   0.034,  -0.024)  ( 0.06,  0.02,  0.01)
166:     bond    ( -5.715,   1.120,  -0.030)  ( -5.710,   1.124,  -0.028)  ( 0.08,  0.35,  0.00)
166:     angle   ( -3.925,   0.733,   0.006)  ( -3.923,   0.734,   0.007)  ( 0.05,  0.10,  0.00)
166:     strbnd  ( 10.212,  -1.917,  -0.002)  ( 10.212,  -1.917,  -0.002)  ( 0.00,  0.01,  0.00)
166:     torsion ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.489,   0.094,  -0.002)  ( -0.488,   0.094,  -0.002)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  8       ( -0.096,   0.024,  -0.020)  ( -0.089,   0.030,  -0.017)  ( 0.07,  0.01,  0.01)
166:     bond    ( -3.483, -12.638,   7.907)  ( -3.478, -12.633,   7.908)  ( 0.16,  0.03,  0.02)
166:     angle   (  3.798,   0.832,  -0.921)  (  3.800,   0.834,  -0.921)  ( 0.04,  0.11,  0.04)
166:     strbnd  (  1.060,  -1.300,   0.656)  (  1.060,  -1.300,   0.656)  ( 0.02,  0.01,  0.00)
166:     torsion (  0.019,   0.099,   0.166)  (  0.019,   0.099,   0.167)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.505,  14.542,  -8.739)  ( -1.505,  14.542,  -8.739)  ( 0.01,  0.00,  0.00)
166:     electro (  0.016,  -1.510,   0.914)  (  0.016,  -1.510,   0.914)  ( 0.00,  0.00,  0.00)
166:  9       ( -0.010,  -0.087,   0.031)  ( -0.003,  -0.081,   0.034)  ( 0.01,  0.05,  0.01)
166:     bond    ( -2.492,  -7.482,   4.725)  ( -2.486,  -7.478,   4.727)  ( 0.23,  0.05,  0.03)
166:     angle   ( -4.105,  -3.933,   2.798)  ( -4.103,  -3.931,   2.798)  ( 0.04,  0.03,  0.02)
166:     strbnd  ( -4.222,   0.031,   0.453)  ( -4.222,   0.031,   0.453)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.000,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 10.835,  10.954,  -7.728)  ( 10.835,  10.954,  -7.728)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.025,   0.347,  -0.209)  ( -0.025,   0.347,  -0.209)  ( 0.00,  0.00,  0.00)
166: 10       ( -0.018,  -0.003,   0.005)  ( -0.014,   0.002,   0.008)  ( 0.01,  0.00,  0.00)
166:     bond    (-13.181,   2.472,   0.003)  (-13.178,   2.476,   0.004)  ( 0.02,  0.16,  0.00)
166:     angle   (  8.282,  -1.555,  -0.003)  (  8.284,  -1.555,  -0.003)  ( 0.02,  0.02,  0.00)
166:     strbnd  (  0.147,  -0.037,   0.005)  (  0.147,  -0.037,   0.006)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (  8.264,  -1.546,  -0.006)  (  8.265,  -1.546,  -0.006)  ( 0.00,  0.00,  0.00)
166:     electro ( -3.532,   0.661,   0.003)  ( -3.532,   0.661,   0.003)  ( 0.00,  0.00,  0.00)
166: 11       ( -0.084,   0.070,  -0.048)  ( -0.077,   0.076,  -0.045)  ( 0.06,  0.04,  0.02)
166:     bond    (  0.276,   7.851,  -4.706)  (  0.282,   7.855,  -4.705)  ( 0.16,  0.05,  0.03)
166:     angle   ( -2.425,   5.161,  -2.800)  ( -2.424,   5.163,  -2.800)  ( 0.07,  0.03,  0.02)
166:     strbnd  ( -3.937,   1.510,  -0.456)  ( -3.938,   1.510,  -0.456)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     (  6.153, -14.132,   7.716)  (  6.153, -14.132,   7.716)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.149,  -0.315,   0.209)  ( -0.149,  -0.315,   0.209)  ( 0.00,  0.00,  0.00)
166: 12       (  0.047,  -0.083,   0.059)  (  0.054,  -0.077,   0.061)  ( 0.03,  0.04,  0.02)
166:     bond    (  1.440,  12.965,  -7.881)  (  1.446,  12.969,  -7.880)  ( 0.38,  0.03,  0.02)
166:     angle   (  3.262,  -2.172,   0.925)  (  3.264,  -2.171,   0.925)  ( 0.05,  0.06,  0.04)
166:     strbnd  (  1.447,   0.834,  -0.660)  (  1.447,   0.834,  -0.660)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.018,  -0.096,  -0.161)  ( -0.018,  -0.095,  -0.160)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -6.645, -13.018,   8.747)  ( -6.645, -13.018,   8.747)  ( 0.00,  0.00,  0.00)
166:     electro (  0.560,   1.403,  -0.914)  (  0.560,   1.402,  -0.914)  ( 0.00,  0.00,  0.00)
166: 13       (  0.014,   0.029,  -0.012)  (  0.016,   0.031,  -0.010)  ( 0.00,  0.01,  0.00)
166:     bond    (  0.532,   0.585,  -0.410)  (  0.533,   0.587,  -0.409)  ( 0.07,  0.10,  0.03)
166:     angle   ( -1.375,   0.959,  -0.417)  ( -1.375,   0.959,  -0.417)  ( 0.03,  0.02,  0.00)
166:     strbnd  ( -0.291,   0.302,  -0.147)  ( -0.291,   0.302,  -0.147)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.002,  -0.013,  -0.021)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.001,  -0.001)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.782,  -2.146,   1.210)  (  0.782,  -2.146,   1.210)  ( 0.00,  0.00,  0.00)
166:     electro (  0.369,   0.342,  -0.225)  (  0.369,   0.342,  -0.225)  ( 0.00,  0.00,  0.00)
166: 14       (  0.014,  -0.025,   0.027)  (  0.015,  -0.022,   0.028)  ( 0.00,  0.01,  0.00)
166:     bond    ( -0.713,   1.410,  -0.761)  ( -0.713,   1.412,  -0.760)  ( 0.04,  0.17,  0.05)
166:     angle   ( -1.054,  -0.355,   0.329)  ( -1.053,  -0.355,   0.329)  ( 0.06,  0.00,  0.00)
166:     strbnd  (  0.385,   0.200,  -0.162)  (  0.385,   0.200,  -0.162)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.001,   0.005,   0.009)  (  0.001,   0.006,   0.009)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.575,  -0.404,   0.175)  (  0.575,  -0.404,   0.175)  ( 0.00,  0.00,  0.00)
166:     electro (  0.821,  -0.881,   0.436)  (  0.821,  -0.881,   0.436)  ( 0.00,  0.00,  0.00)
166: 15       ( -0.046,  -0.018,   0.011)  ( -0.038,  -0.002,   0.010)  ( 0.03,  0.03,  0.00)
166:     bond    ( -7.125,  -4.896,  -9.263)  ( -7.121,  -4.892,  -9.259)  ( 0.06,  0.09,  0.05)
166:     angle   (  6.393,   2.270,   5.666)  (  6.394,   2.272,   5.667)  ( 0.03,  0.07,  0.03)
166:     strbnd  (  0.273,  -0.725,  -1.181)  (  0.272,  -0.726,  -1.182)  ( 0.02,  0.04,  0.08)
166:     torsion (  1.289,  -0.354,  -0.774)  (  1.289,  -0.353,  -0.774)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.010,  -0.056,   0.038)  ( -0.009,  -0.047,   0.031)  ( 0.00,  0.05,  0.02)
166:     vdw     ( -0.361,   3.610,   5.432)  ( -0.361,   3.610,   5.432)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.503,   0.134,   0.095)  ( -0.503,   0.134,   0.095)  ( 0.00,  0.00,  0.00)
166: 16       (  0.036,  -0.004,   0.009)  (  0.041,  -0.003,   0.010)  ( 0.02,  0.00,  0.00)
166:     bond    ( -1.105,   0.206,   0.001)  ( -1.100,   0.206,   0.001)  ( 0.41,  0.00,  0.00)
166:     angle   (  0.001,   0.005,   0.007)  (  0.001,   0.005,   0.007)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  3.048,  -0.570,  -0.001)  (  3.048,  -0.570,  -0.001)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.498,   0.093,   0.000)  ( -0.498,   0.093,   0.001)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.410,   0.264,   0.001)  ( -1.410,   0.264,   0.001)  ( 0.00,  0.00,  0.00)
166: 17       ( -0.037,   0.047,   0.071)  ( -0.035,   0.047,   0.074)  ( 0.01,  0.00,  0.02)
166:     bond    ( -0.132,   0.174,   0.223)  ( -0.131,   0.175,   0.225)  ( 0.01,  0.03,  0.05)
166:     angle   (  1.479,   0.192,   0.711)  (  1.480,   0.192,   0.711)  ( 0.05,  0.00,  0.01)
166:     strbnd  (  1.315,  -1.062,  -1.217)  (  1.315,  -1.062,  -1.217)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.011,  -0.057,   0.038)  ( -0.011,  -0.057,   0.038)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.001,   0.006,  -0.004)  (  0.001,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -4.211,   0.450,  -0.614)  ( -4.210,   0.450,  -0.614)  ( 0.00,  0.00,  0.00)
166:     electro (  1.521,   0.344,   0.934)  (  1.521,   0.344,   0.934)  ( 0.00,  0.00,  0.00)
166: 18       ( -0.041,   0.022,   0.048)  ( -0.037,   0.019,   0.060)  ( 0.02,  0.01,  0.05)
166:     bond    ( -4.885,   7.159,   9.319)  ( -4.880,   7.163,   9.323)  ( 0.09,  0.06,  0.05)
166:     angle   (  5.152,  -4.463,  -5.651)  (  5.154,  -4.462,  -5.649)  ( 0.04,  0.03,  0.03)
166:     strbnd  (  0.516,   0.583,   1.171)  (  0.515,   0.582,   1.170)  ( 0.03,  0.04,  0.08)
166:     torsion (  1.334,  -0.130,   0.768)  (  1.334,  -0.130,   0.768)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.010,   0.051,  -0.034)  (  0.008,   0.042,  -0.028)  ( 0.00,  0.04,  0.02)
166:     vdw     ( -1.650,  -3.234,  -5.431)  ( -1.650,  -3.234,  -5.431)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.518,   0.057,  -0.094)  ( -0.518,   0.057,  -0.094)  ( 0.00,  0.00,  0.00)
166: 19       ( -0.026,  -0.013,  -0.044)  ( -0.024,  -0.011,  -0.042)  ( 0.01,  0.00,  0.01)
166:     bond    ( -0.161,  -0.100,  -0.195)  ( -0.159,  -0.099,  -0.193)  ( 0.03,  0.01,  0.05)
166:     angle   (  1.304,  -0.712,  -0.711)  (  1.305,  -0.712,  -0.711)  ( 0.04,  0.01,  0.01)
166:     strbnd  (  1.615,   0.513,   1.214)  (  1.615,   0.513,   1.214)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.011,   0.057,  -0.038)  (  0.011,   0.058,  -0.038)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.001,  -0.006,   0.004)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -4.086,   1.106,   0.619)  ( -4.086,   1.106,   0.619)  ( 0.00,  0.00,  0.00)
166:     electro (  1.292,  -0.870,  -0.936)  (  1.292,  -0.870,  -0.936)  ( 0.00,  0.00,  0.00)
166: 20       (  0.018,  -0.043,   0.008)  (  0.019,  -0.041,   0.009)  ( 0.00,  0.01,  0.00)
166:     bond    (  0.288,  -0.750,   0.412)  (  0.289,  -0.747,   0.413)  ( 0.01,  0.20,  0.03)
166:     angle   ( -1.609,  -0.393,   0.414)  ( -1.608,  -0.393,   0.414)  ( 0.04,  0.00,  0.00)
166:     strbnd  ( -0.388,  -0.178,   0.149)  ( -0.388,  -0.178,   0.149)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.002,   0.011,   0.019)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.503,   1.719,  -1.212)  (  1.503,   1.719,  -1.212)  ( 0.00,  0.00,  0.00)
166:     electro (  0.221,  -0.453,   0.225)  (  0.221,  -0.453,   0.225)  ( 0.00,  0.00,  0.00)
166: 21       (  0.039,   0.039,  -0.040)  (  0.041,   0.040,  -0.039)  ( 0.01,  0.01,  0.00)
166:     bond    ( -1.156,  -1.042,   0.748)  ( -1.154,  -1.041,   0.749)  ( 0.15,  0.13,  0.05)
166:     angle   ( -0.862,   0.717,  -0.330)  ( -0.861,   0.717,  -0.330)  ( 0.04,  0.02,  0.00)
166:     strbnd  (  0.292,  -0.327,   0.162)  (  0.292,  -0.327,   0.162)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.007)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.682,   0.169,  -0.176)  (  0.682,   0.169,  -0.176)  ( 0.00,  0.00,  0.00)
166:     electro (  1.083,   0.525,  -0.437)  (  1.083,   0.525,  -0.437)  ( 0.00,  0.00,  0.00)
166: 22       ( -0.002,  -0.011,   0.010)  ( -0.001,  -0.009,   0.011)  ( 0.00,  0.00,  0.00)
166:     bond    ( -0.526,   0.784,  -0.542)  ( -0.525,   0.786,  -0.541)  ( 0.04,  0.14,  0.05)
166:     angle   (  1.195,  -1.233,  -2.949)  (  1.195,  -1.233,  -2.949)  ( 0.03,  0.02,  0.01)
166:     strbnd  ( -0.255,  -0.588,  -0.393)  ( -0.255,  -0.588,  -0.393)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.565,  -0.064,   0.455)  ( -0.565,  -0.064,   0.455)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.149,   1.091,   3.440)  (  0.149,   1.091,   3.440)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 23       ( -0.002,  -0.011,   0.000)  ( -0.001,  -0.010,   0.001)  ( 0.00,  0.00,  0.00)
166:     bond    ( -0.710,  -0.703,   0.394)  ( -0.709,  -0.701,   0.395)  ( 0.11,  0.10,  0.02)
166:     angle   (  0.978,  -1.990,  -1.779)  (  0.979,  -1.990,  -1.778)  ( 0.03,  0.01,  0.03)
166:     strbnd  ( -0.228,  -0.099,  -0.703)  ( -0.228,  -0.099,  -0.703)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.442,   0.487,   0.072)  ( -0.442,   0.487,   0.072)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.399,   2.293,   2.016)  (  0.399,   2.293,   2.016)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 24       (  0.016,   0.004,  -0.000)  (  0.017,   0.005,   0.001)  ( 0.00,  0.00,  0.00)
166:     bond    (  0.712,  -0.619,  -0.845)  (  0.713,  -0.618,  -0.844)  ( 0.08,  0.05,  0.13)
166:     angle   ( -4.410,  -0.925,  -3.048)  ( -4.410,  -0.925,  -3.048)  ( 0.01,  0.03,  0.01)
166:     strbnd  ( -0.899,   0.082,  -0.052)  ( -0.899,   0.082,  -0.052)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.011,  -0.086,   0.054)  ( -0.011,  -0.086,   0.054)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.624,   1.552,   3.891)  (  4.624,   1.552,   3.891)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 25       (  0.015,   0.029,  -0.030)  (  0.017,   0.030,  -0.029)  ( 0.00,  0.00,  0.00)
166:     bond    ( -0.752,  -0.529,   0.528)  ( -0.750,  -0.529,   0.529)  ( 0.13,  0.05,  0.04)
166:     angle   (  1.555,   0.717,   2.924)  (  1.555,   0.718,   2.924)  ( 0.02,  0.03,  0.01)
166:     strbnd  ( -0.027,   0.641,   0.396)  ( -0.027,   0.641,   0.396)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.505,   0.263,  -0.453)  ( -0.505,   0.263,  -0.453)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.257,  -1.063,  -3.425)  ( -0.257,  -1.063,  -3.425)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 26       ( -0.016,  -0.001,  -0.020)  ( -0.014,  -0.000,  -0.018)  ( 0.00,  0.00,  0.00)
166:     bond    (  0.867,   0.313,   0.819)  (  0.869,   0.313,   0.821)  ( 0.15,  0.01,  0.12)
166:     angle   ( -3.775,   2.481,   3.047)  ( -3.775,   2.482,   3.047)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( -0.869,   0.249,   0.057)  ( -0.869,   0.249,   0.057)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.019,   0.079,  -0.051)  (  0.019,   0.079,  -0.051)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.742,  -3.123,  -3.893)  (  3.742,  -3.123,  -3.893)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 27       (  0.012,  -0.017,   0.007)  (  0.013,  -0.015,   0.008)  ( 0.00,  0.00,  0.00)
166:     bond    ( -0.401,   0.886,  -0.386)  ( -0.401,   0.889,  -0.385)  ( 0.02,  0.22,  0.02)
166:     angle   (  1.642,   1.513,   1.782)  (  1.642,   1.513,   1.783)  ( 0.02,  0.01,  0.03)
166:     strbnd  ( -0.174,   0.171,   0.708)  ( -0.174,   0.170,   0.708)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.590,  -0.296,  -0.070)  ( -0.590,  -0.296,  -0.070)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.465,  -2.291,  -2.028)  ( -0.465,  -2.291,  -2.028)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: ok 34 # gradients 
166: ok 35 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
166:  1       ( 40.017,  -0.918,  27.693)  ( 40.022,  -0.916,  27.698)  ( 0.01,  0.21,  0.02)
166:     bond    ( 17.093,   4.746,  20.403)  ( 17.097,   4.747,  20.407)  ( 0.02,  0.02,  0.02)
166:     angle   ( 10.823,  -6.670,  -7.661)  ( 10.824,  -6.668,  -7.659)  ( 0.02,  0.03,  0.02)
166:     strbnd  ( -1.302,  -1.496,  -3.384)  ( -1.303,  -1.496,  -3.384)  ( 0.04,  0.04,  0.02)
166:     torsion ( -0.752,  -0.481,  -0.404)  ( -0.752,  -0.481,  -0.404)  ( 0.01,  0.01,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.697,   3.940,   6.118)  (  2.697,   3.940,   6.118)  ( 0.00,  0.00,  0.00)
166:     electro ( 11.458,  -0.958,  12.621)  ( 11.458,  -0.958,  12.621)  ( 0.00,  0.00,  0.00)
166:  2       (-31.059,   8.802,  24.651)  (-31.053,   8.807,  24.657)  ( 0.02,  0.06,  0.02)
166:     bond    (-27.113,  -0.560,   3.022)  (-27.109,  -0.556,   3.026)  ( 0.02,  0.22,  0.12)
166:     angle   (-10.986,   1.327,   1.389)  (-10.984,   1.329,   1.391)  ( 0.02,  0.14,  0.17)
166:     strbnd  (  6.026,   1.292,   2.785)  (  6.025,   1.291,   2.784)  ( 0.02,  0.04,  0.03)
166:     torsion (  0.387,   2.102,   1.063)  (  0.387,   2.103,   1.063)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.974,  -1.076,   6.259)  ( -5.974,  -1.076,   6.260)  ( 0.00,  0.00,  0.00)
166:     electro (  6.602,   5.716,  10.133)  (  6.602,   5.716,  10.133)  ( 0.00,  0.00,  0.00)
166:  3       (-13.765, -13.920,  11.801)  (-13.759, -13.915,  11.806)  ( 0.04,  0.04,  0.04)
166:     bond    ( -2.739,  -3.315,  12.969)  ( -2.735,  -3.311,  12.974)  ( 0.14,  0.12,  0.03)
166:     angle   (  0.437, -11.359,  -0.705)  (  0.439, -11.357,  -0.703)  ( 0.09,  0.02,  0.14)
166:     strbnd  (  1.387,   2.155,  -8.533)  (  1.387,   2.154,  -8.535)  ( 0.02,  0.03,  0.02)
166:     torsion ( -2.416,   1.078,   0.854)  ( -2.416,   1.078,   0.855)  ( 0.00,  0.01,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -6.807,  -1.527,   6.510)  ( -6.807,  -1.527,   6.510)  ( 0.00,  0.00,  0.00)
166:     electro ( -3.627,  -0.951,   0.706)  ( -3.627,  -0.951,   0.706)  ( 0.00,  0.00,  0.00)
166:  4       (-10.095,   5.283, -11.576)  (-10.089,   5.286, -11.570)  ( 0.05,  0.05,  0.05)
166:     bond    (  0.949,  -2.282,   0.268)  (  0.953,  -2.280,   0.273)  ( 0.43,  0.06,  0.13)
166:     angle   (  0.591,  21.684,   6.844)  (  0.593,  21.686,   6.845)  ( 0.09,  0.01,  0.02)
166:     strbnd  (  1.406,  -5.851,  -0.013)  (  1.406,  -5.852,  -0.014)  ( 0.04,  0.01,  0.00)
166:     torsion (  0.184,  -1.989,  -0.339)  (  0.185,  -1.989,  -0.339)  ( 0.00,  0.01,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.463,  -3.294,  -7.182)  ( -5.463,  -3.294,  -7.182)  ( 0.00,  0.00,  0.00)
166:     electro ( -7.762,  -2.986, -11.154)  ( -7.762,  -2.986, -11.154)  ( 0.00,  0.00,  0.00)
166:  5       ( 15.784,  -6.823, -14.411)  ( 15.790,  -6.817, -14.405)  ( 0.03,  0.08,  0.04)
166:     bond    ( 13.334,   0.629,  -1.309)  ( 13.339,   0.633,  -1.305)  ( 0.04,  0.25,  0.29)
166:     angle   (  2.816, -10.985,  -2.204)  (  2.818, -10.983,  -2.202)  ( 0.07,  0.02,  0.10)
166:     strbnd  ( -8.882,  -0.451,   0.327)  ( -8.883,  -0.452,   0.326)  ( 0.02,  0.02,  0.01)
166:     torsion (  0.798,   1.843,  -1.911)  (  0.798,   1.843,  -1.911)  ( 0.00,  0.01,  0.01)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  7.392,   1.990,  -5.711)  (  7.392,   1.990,  -5.711)  ( 0.00,  0.00,  0.00)
166:     electro (  0.327,   0.152,  -3.602)  (  0.327,   0.152,  -3.602)  ( 0.00,  0.00,  0.00)
166:  6       ( 23.240,  20.461, -25.217)  ( 23.246,  20.467, -25.212)  ( 0.03,  0.03,  0.02)
166:     bond    (  5.775,   7.666, -25.091)  (  5.778,   7.670, -25.086)  ( 0.07,  0.05,  0.02)
166:     angle   (  1.263,   4.370, -10.670)  (  1.265,   4.372, -10.668)  ( 0.18,  0.05,  0.02)
166:     strbnd  (  1.829,   0.313,   6.376)  (  1.828,   0.312,   6.375)  ( 0.03,  0.02,  0.02)
166:     torsion (  2.320,   0.305,   0.903)  (  2.321,   0.305,   0.903)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  7.013,   1.540,  -5.601)  (  7.013,   1.540,  -5.601)  ( 0.00,  0.00,  0.00)
166:     electro (  5.041,   6.267,   8.866)  (  5.041,   6.267,   8.865)  ( 0.00,  0.00,  0.00)
166:  7       ( -5.321,  -8.169,  -8.288)  ( -5.316,  -8.164,  -8.283)  ( 0.11,  0.07,  0.07)
166:     bond    ( -5.766,  -6.148,  -8.390)  ( -5.762,  -6.144,  -8.385)  ( 0.07,  0.07,  0.05)
166:     angle   ( -0.655,  -5.211,  -2.282)  ( -0.653,  -5.209,  -2.280)  ( 0.12,  0.03,  0.08)
166:     strbnd  (  5.025,   4.822,   7.145)  (  5.024,   4.821,   7.144)  ( 0.01,  0.02,  0.01)
166:     torsion (  0.524,  -0.894,   0.352)  (  0.524,  -0.894,   0.352)  ( 0.00,  0.01,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -4.384,  -0.621,  -5.255)  ( -4.383,  -0.621,  -5.255)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.066,  -0.117,   0.141)  ( -0.066,  -0.117,   0.141)  ( 0.00,  0.00,  0.00)
166:  8       ( -6.827,  14.475,  22.925)  ( -6.821,  14.475,  22.975)  ( 0.08,  0.00,  0.22)
166:     bond    ( 11.385, -12.341, -10.198)  ( 11.388, -12.332, -10.191)  ( 0.03,  0.07,  0.07)
166:     angle   (-32.172,  28.633,  36.543)  (-32.169,  28.635,  36.546)  ( 0.01,  0.01,  0.01)
166:     strbnd  ( 23.556,  -6.610,  -5.451)  ( 23.555,  -6.611,  -5.452)  ( 0.00,  0.02,  0.02)
166:     torsion (  0.338,  -1.851,   0.344)  (  0.338,  -1.851,   0.344)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.005,   0.056,  -0.231)  ( -0.004,   0.046,  -0.190)  ( 0.00,  0.06,  0.96)
166:     vdw     (  1.478,   1.254,   4.534)  (  1.478,   1.254,   4.535)  ( 0.01,  0.00,  0.00)
166:     electro (-11.406,   5.334,  -2.617)  (-11.406,   5.334,  -2.617)  ( 0.00,  0.00,  0.00)
166:  9       (  5.719, -19.054, -11.028)  (  5.721, -19.052, -11.021)  ( 0.03,  0.01,  0.06)
166:     bond    (  1.485,   1.600,  -4.386)  (  1.486,   1.600,  -4.380)  ( 0.05,  0.05,  0.14)
166:     angle   (  5.763, -17.078,  -4.285)  (  5.764, -17.078,  -4.285)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( -0.447,  -2.536,   3.420)  ( -0.447,  -2.536,   3.420)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.480,   0.079,   0.191)  (  0.480,   0.079,   0.191)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.856,   0.959,   2.952)  (  1.856,   0.959,   2.952)  ( 0.00,  0.00,  0.00)
166:     electro ( -3.417,  -2.078,  -8.920)  ( -3.417,  -2.078,  -8.920)  ( 0.00,  0.00,  0.00)
166: 10       ( 10.482,  -6.063, -18.767)  ( 10.483,  -6.056, -18.766)  ( 0.01,  0.12,  0.01)
166:     bond    (  0.309,  -3.128,   0.485)  (  0.309,  -3.121,   0.485)  ( 0.00,  0.24,  0.01)
166:     angle   ( 15.756,  -0.811, -15.260)  ( 15.757,  -0.811, -15.259)  ( 0.00,  0.00,  0.01)
166:     strbnd  (  0.664,   2.939,  -1.490)  (  0.664,   2.939,  -1.490)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.106,  -0.157,  -0.307)  ( -1.106,  -0.157,  -0.307)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.387,   3.365,   2.847)  ( -2.387,   3.365,   2.847)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.755,  -8.271,  -5.043)  ( -2.755,  -8.271,  -5.043)  ( 0.00,  0.00,  0.00)
166: 11       (-10.638,  -8.900,  -5.709)  (-10.635,  -8.866,  -5.820)  ( 0.03,  0.38,  1.94)
166:     bond    ( -6.709,   1.922,   1.059)  ( -6.705,   1.927,   1.060)  ( 0.06,  0.26,  0.04)
166:     angle   ( 24.355, -15.184, -15.338)  ( 24.357, -15.182, -15.338)  ( 0.01,  0.01,  0.00)
166:     strbnd  (-18.936,   1.986,   0.297)  (-18.936,   1.986,   0.297)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.305,  -0.296,   4.647)  (  0.305,  -0.296,   4.648)  ( 0.00,  0.00,  0.02)
166:     oop     (  0.009,  -0.160,   0.679)  (  0.007,  -0.133,   0.566)  ( 0.00,  0.43,  7.65)
166:     vdw     ( -9.578,   2.904,   3.010)  ( -9.577,   2.904,   3.010)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.085,  -0.071,  -0.064)  ( -0.085,  -0.071,  -0.064)  ( 0.00,  0.00,  0.00)
166: 12       (-21.260,  -0.793,  -2.235)  (-21.252,  -0.800,  -2.173)  ( 0.04,  0.56,  2.79)
166:     bond    (  1.922,   0.917,   0.032)  (  1.927,   0.922,   0.032)  ( 0.28,  0.47,  0.00)
166:     angle   ( -9.984,   2.922,   1.064)  ( -9.983,   2.923,   1.065)  ( 0.02,  0.05,  0.01)
166:     strbnd  (-10.267,   7.335,   1.838)  (-10.267,   7.335,   1.838)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.034,   0.453,  -2.054)  ( -0.034,   0.453,  -2.053)  ( 0.00,  0.00,  0.06)
166:     oop     ( -0.004,   0.086,  -0.378)  ( -0.003,   0.072,  -0.317)  ( 0.00,  0.12,  2.29)
166:     vdw     ( -6.756, -10.594,  -1.657)  ( -6.755, -10.594,  -1.657)  ( 0.00,  0.00,  0.00)
166:     electro (  3.862,  -1.910,  -1.080)  (  3.862,  -1.910,  -1.080)  ( 0.00,  0.00,  0.00)
166: 13       ( 11.035, -18.539,  -9.258)  ( 11.043, -18.545,  -9.206)  ( 0.07,  0.03,  0.56)
166:     bond    (  3.557,   7.206,   1.481)  (  3.562,   7.211,   1.482)  ( 0.15,  0.07,  0.03)
166:     angle   (  3.498, -21.802,  -5.738)  (  3.500, -21.801,  -5.738)  ( 0.04,  0.01,  0.00)
166:     strbnd  ( 11.124,   5.598,   1.224)  ( 11.124,   5.598,   1.224)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.010,   0.214,  -0.783)  ( -0.010,   0.214,  -0.782)  ( 0.00,  0.00,  0.10)
166:     oop     ( -0.007,   0.075,  -0.292)  ( -0.006,   0.062,  -0.242)  ( 0.00,  0.09,  1.46)
166:     vdw     ( -8.946,  -9.231,  -4.972)  ( -8.946,  -9.231,  -4.972)  ( 0.00,  0.00,  0.00)
166:     electro (  1.819,  -0.598,  -0.177)  (  1.819,  -0.598,  -0.177)  ( 0.00,  0.00,  0.00)
166: 14       (-13.572,  -2.062,   4.766)  (-13.566,  -2.037,   4.696)  ( 0.04,  1.21,  1.46)
166:     bond    (-26.978,  13.126,   4.300)  (-26.972,  13.131,   4.300)  ( 0.02,  0.03,  0.01)
166:     angle   (-18.118,  -9.493,   4.254)  (-18.116,  -9.491,   4.254)  ( 0.01,  0.02,  0.00)
166:     strbnd  ( 29.827,  -3.579,  -1.396)  ( 29.826,  -3.579,  -1.395)  ( 0.00,  0.00,  0.01)
166:     torsion ( -0.134,  -1.037,   2.744)  ( -0.134,  -1.037,   2.746)  ( 0.00,  0.01,  0.04)
166:     oop     (  0.011,  -0.106,   0.410)  (  0.009,  -0.087,   0.339)  ( 0.00,  0.20,  2.94)
166:     vdw     (  1.699,  -1.418,  -5.301)  (  1.699,  -1.418,  -5.301)  ( 0.01,  0.01,  0.00)
166:     electro (  0.121,   0.445,  -0.246)  (  0.121,   0.445,  -0.246)  ( 0.00,  0.00,  0.00)
166: 15       ( 12.500, -13.787,  -4.766)  ( 12.462, -13.787,  -4.588)  ( 0.30,  0.01,  3.74)
166:     bond    ( -5.136, -10.558,  -3.032)  ( -5.131, -10.553,  -3.032)  ( 0.09,  0.04,  0.02)
166:     angle   (  2.758, -11.175,   3.017)  (  2.760, -11.174,   3.017)  ( 0.07,  0.02,  0.00)
166:     strbnd  (  9.858,  -2.806,  -1.156)  (  9.859,  -2.806,  -1.156)  ( 0.00,  0.00,  0.01)
166:     torsion ( -0.006,   0.855,  -3.398)  ( -0.006,   0.855,  -3.397)  ( 0.00,  0.01,  0.04)
166:     oop     (  0.274,   0.043,  -1.066)  (  0.229,   0.036,  -0.889)  ( 1.23,  0.03, 16.55)
166:     vdw     (  6.480,   9.337,   1.077)  (  6.480,   9.337,   1.077)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.729,   0.517,  -0.209)  ( -1.729,   0.517,  -0.209)  ( 0.00,  0.00,  0.00)
166: 16       (-16.865,  18.909,   6.325)  (-16.857,  18.931,   6.271)  ( 0.04,  0.12,  0.85)
166:     bond    (  8.237,  -4.438,  -0.410)  (  8.242,  -4.433,  -0.410)  ( 0.06,  0.11,  0.02)
166:     angle   (-15.113,  19.214,   5.231)  (-15.111,  19.215,   5.231)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -4.665,  -2.331,  -0.554)  ( -4.666,  -2.331,  -0.554)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.007,   0.399,  -1.363)  (  0.007,   0.399,  -1.362)  ( 0.00,  0.00,  0.09)
166:     oop     ( -0.002,  -0.093,   0.333)  ( -0.001,  -0.078,   0.278)  ( 0.00,  0.14,  1.84)
166:     vdw     ( -7.680,   8.051,   3.527)  ( -7.680,   8.051,   3.527)  ( 0.00,  0.00,  0.00)
166:     electro (  2.351,  -1.893,  -0.439)  (  2.351,  -1.893,  -0.439)  ( 0.00,  0.00,  0.00)
166: 17       ( -6.733,  21.609,   7.933)  ( -6.728,  21.608,   7.955)  ( 0.08,  0.00,  0.28)
166:     bond    (  2.115,   1.161,  -0.091)  (  2.119,   1.164,  -0.091)  ( 0.20,  0.31,  0.00)
166:     angle   ( 25.721,  28.686,   2.043)  ( 25.721,  28.687,   2.043)  ( 0.00,  0.00,  0.01)
166:     strbnd  (-34.795,  -0.918,   2.926)  (-34.795,  -0.918,   2.926)  ( 0.00,  0.00,  0.01)
166:     torsion (  0.088,  -0.609,   5.097)  (  0.088,  -0.609,   5.098)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.003,   0.029,  -0.113)  ( -0.002,   0.024,  -0.092)  ( 0.00,  0.02,  0.25)
168:     electro ( -0.118,   0.025,   0.007)  ( -0.118,   0.025,   0.007)  ( 0.00,  0.00,  0.00)
168: 29       (  6.269,   4.842,  17.665)  (  6.271,   4.844,  17.666)  ( 0.04,  0.03,  0.00)
168:     bond    ( 13.347,   7.815,   1.928)  ( 13.349,   7.816,   1.928)  ( 0.02,  0.01,  0.01)
168:     angle   ( -3.942,   1.678,  20.486)  ( -3.942,   1.679,  20.487)  ( 0.01,  0.03,  0.00)
168:     strbnd  ( -1.485,  -0.391,  -0.372)  ( -1.485,  -0.391,  -0.372)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.296,   0.484,   0.090)  ( -0.296,   0.484,   0.090)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.355,  -4.745,  -4.467)  ( -1.355,  -4.744,  -4.467)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 30       ( -8.350,   0.131,  25.967)  ( -8.349,   0.134,  25.968)  ( 0.01,  0.04,  0.00)
168:     bond    ( -1.481,  11.557,   2.165)  ( -1.481,  11.560,   2.165)  ( 0.01,  0.03,  0.01)
168:     angle   ( -9.788,  -6.150,  26.139)  ( -9.788,  -6.150,  26.139)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  0.626,  -4.365,  -1.021)  (  0.626,  -4.365,  -1.021)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.782,   0.049,   0.957)  (  1.782,   0.049,   0.957)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.511,  -0.961,  -2.273)  (  0.511,  -0.961,  -2.273)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 31       (-14.899,  11.820,  16.748)  (-14.898,  11.820,  16.750)  ( 0.01,  0.01,  0.01)
168:     bond    (  5.176,  -2.757,  10.225)  (  5.177,  -2.757,  10.227)  ( 0.01,  0.01,  0.02)
168:     angle   (-19.241,  13.946,  13.498)  (-19.241,  13.947,  13.498)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( -2.072,   1.072,  -4.471)  ( -2.072,   1.072,  -4.471)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.541,   0.941,  -0.020)  (  0.541,   0.941,  -0.020)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.698,  -1.382,  -2.484)  (  0.698,  -1.382,  -2.484)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 32       ( -4.993,  10.176,  24.023)  ( -4.991,  10.177,  24.024)  ( 0.05,  0.01,  0.00)
168:     bond    (-10.690,  -3.803,   2.337)  (-10.687,  -3.803,   2.338)  ( 0.02,  0.01,  0.01)
168:     angle   (  0.606,  13.614,  24.917)  (  0.606,  13.614,  24.917)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  3.553,   1.168,  -0.972)  (  3.553,   1.168,  -0.972)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.030,   0.061,  -0.037)  ( -0.030,   0.061,  -0.037)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.567,  -0.863,  -2.222)  (  1.567,  -0.863,  -2.222)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 33       ( 15.026, -20.398, -24.613)  ( 15.025, -20.394, -24.614)  ( 0.01,  0.02,  0.00)
168:     bond    ( -4.753, -12.511,   5.560)  ( -4.753, -12.507,   5.561)  ( 0.01,  0.03,  0.01)
168:     angle   ( 21.861, -17.415, -20.481)  ( 21.860, -17.414, -20.482)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  2.809,   8.054,  -3.331)  (  2.809,   8.054,  -3.331)  ( 0.00,  0.00,  0.00)
168:     torsion ( -6.332,  -0.435,  -6.389)  ( -6.334,  -0.435,  -6.390)  ( 0.02,  0.00,  0.02)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.007,   0.074,  -0.052)  (  0.007,   0.074,  -0.052)  ( 0.00,  0.00,  0.00)
168:     electro (  1.436,   1.834,   0.082)  (  1.436,   1.834,   0.082)  ( 0.00,  0.00,  0.00)
168: ok 30 # gradients 
168: ok 31 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       (  0.503,   0.593,   0.614)  (  0.557,   0.679,   0.432)  ( 2.71,  5.12, 11.17)
168:     bond    (  6.922,   0.175,   2.287)  (  6.926,   0.180,   2.292)  ( 0.06,  0.08,  0.20)
168:     angle   ( -5.931,   2.410,   0.271)  ( -5.930,   2.412,   0.272)  ( 0.03,  0.08,  0.04)
168:     strbnd  (  0.198,   0.872,   0.213)  (  0.197,   0.872,   0.213)  ( 0.01,  0.04,  0.01)
168:     torsion (  0.668,  -0.373,  -2.325)  (  0.668,  -0.373,  -2.325)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.334,  -0.538,   1.283)  ( -0.285,  -0.457,   1.096)  ( 1.63,  4.32, 14.61)
168:     vdw     ( -0.832,  -1.739,  -0.997)  ( -0.832,  -1.739,  -0.997)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.186,  -0.215,  -0.118)  ( -0.186,  -0.215,  -0.118)  ( 0.00,  0.00,  0.00)
168:  2       (  0.433,   1.527,  -2.187)  (  0.299,   1.272,  -1.566)  ( 5.83, 16.72, 28.38)
168:     bond    ( -2.739,   1.957,  -0.129)  ( -2.733,   1.965,  -0.128)  ( 0.24,  0.42,  0.02)
168:     angle   ( 14.443,  -7.136,   1.147)  ( 14.446,  -7.134,   1.148)  ( 0.02,  0.02,  0.06)
168:     strbnd  ( -7.334,   6.670,   1.385)  ( -7.335,   6.668,   1.385)  ( 0.01,  0.03,  0.02)
168:     torsion ( -0.037,   0.168,   0.014)  ( -0.037,   0.168,   0.014)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.865,   1.488,  -3.541)  (  0.722,   1.224,  -2.922)  (12.35, 17.72, 17.47)
168:     vdw     ( -4.625,  -1.230,  -1.537)  ( -4.625,  -1.230,  -1.537)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.140,  -0.389,   0.474)  ( -0.140,  -0.389,   0.474)  ( 0.00,  0.00,  0.00)
168:  3       ( -0.029,  -0.024,   0.069)  ( -0.028,  -0.021,   0.070)  ( 0.00,  0.01,  0.00)
168:     bond    (  0.134,   0.394,  -0.032)  (  0.135,   0.397,  -0.032)  ( 0.00,  0.12,  0.00)
168:     angle   (  1.589,  -0.626,  -1.067)  (  1.590,  -0.626,  -1.067)  ( 0.03,  0.00,  0.04)
168:     strbnd  (  0.319,   0.162,   0.070)  (  0.319,   0.162,   0.070)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.341,   0.212,   1.185)  ( -0.341,   0.212,   1.185)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.730,  -0.167,  -0.086)  ( -1.730,  -0.167,  -0.086)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  4       (  0.009,  -0.000,   0.009)  (  0.010,   0.001,   0.011)  ( 0.00,  0.00,  0.00)
168:     bond    (  0.230,  -0.232,  -0.242)  (  0.231,  -0.231,  -0.241)  ( 0.03,  0.03,  0.03)
168:     angle   (  3.596,   2.214,   1.320)  (  3.596,   2.214,   1.320)  ( 0.01,  0.01,  0.02)
168:     strbnd  (  0.657,  -0.379,  -0.320)  (  0.657,  -0.379,  -0.320)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.004,   0.023,  -0.019)  (  0.004,   0.023,  -0.019)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -4.478,  -1.627,  -0.730)  ( -4.478,  -1.627,  -0.730)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  5       ( -0.022,  -0.019,   0.016)  ( -0.022,  -0.018,   0.019)  ( 0.00,  0.00,  0.01)
168:     bond    (  0.002,  -0.007,   0.018)  (  0.002,  -0.007,   0.021)  ( 0.00,  0.00,  0.01)
168:     angle   (  0.435,  -0.097,  -0.074)  (  0.436,  -0.096,  -0.074)  ( 0.02,  0.00,  0.00)
168:     strbnd  (  0.316,  -0.158,   0.593)  (  0.316,  -0.158,   0.593)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.046,   0.322,   0.110)  ( -0.046,   0.322,   0.110)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.730,  -0.080,  -0.631)  ( -0.730,  -0.080,  -0.631)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  6       ( -1.261, -10.162,  -2.054)  ( -1.171, -10.002,  -2.417)  ( 7.10,  1.58, 17.66)
168:     bond    ( -2.835,   3.345,   0.762)  ( -2.831,   3.350,   0.763)  ( 0.13,  0.16,  0.02)
168:     angle   ( -1.494,  -1.139,  -0.542)  ( -1.493,  -1.138,  -0.541)  ( 0.03,  0.02,  0.01)
168:     strbnd  (  7.239,  -8.454,  -1.930)  (  7.239,  -8.454,  -1.930)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.143,   0.217,  -0.423)  (  0.143,   0.217,  -0.423)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.410,  -0.742,   1.739)  ( -0.325,  -0.588,   1.376)  ( 3.49, 11.48, 20.89)
168:     vdw     ( -4.309,  -6.669,  -2.520)  ( -4.309,  -6.669,  -2.520)  ( 0.00,  0.00,  0.00)
168:     electro (  0.405,   3.280,   0.859)  (  0.405,   3.280,   0.859)  ( 0.00,  0.00,  0.00)
168:  7       (  8.086,  -2.297,   5.227)  (  8.018,  -2.411,   5.470)  ( 0.83,  4.98,  4.67)
168:     bond    ( 17.866,  -2.904,   4.744)  ( 17.871,  -2.899,   4.745)  ( 0.03,  0.18,  0.03)
168:     angle   ( -8.512,  -0.397,  -1.184)  ( -8.510,  -0.396,  -1.183)  ( 0.02,  0.07,  0.06)
168:     strbnd  (  0.437,  -1.121,  -0.832)  (  0.437,  -1.122,  -0.833)  ( 0.02,  0.06,  0.02)
168:     torsion ( -1.343,  -1.618,   4.839)  ( -1.343,  -1.618,   4.840)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.386,   0.773,  -1.451)  (  0.312,   0.652,  -1.209)  ( 2.86,  9.34, 16.66)
168:     vdw     (  1.892,   2.121,   0.955)  (  1.893,   2.121,   0.955)  ( 0.01,  0.00,  0.00)
168:     electro ( -2.641,   0.850,  -1.845)  ( -2.641,   0.850,  -1.845)  ( 0.00,  0.00,  0.00)
168:  8       ( -1.549,   2.804,   0.093)  ( -1.512,   2.887,  -0.063)  ( 2.38,  2.95,  1.44)
168:     bond    ( -1.088,   0.983,   0.272)  ( -1.086,   0.985,   0.272)  ( 0.24,  0.21,  0.00)
168:     angle   ( -1.860,  -1.398,  -2.356)  ( -1.859,  -1.398,  -2.356)  ( 0.02,  0.02,  0.01)
168:     strbnd  ( -0.431,   2.009,   1.109)  ( -0.431,   2.009,   1.109)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.178,   0.549,  -1.277)  (  0.178,   0.549,  -1.277)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.244,  -0.585,   1.144)  ( -0.210,  -0.505,   0.988)  ( 0.82,  4.70, 13.65)
168:     vdw     (  1.404,   2.236,   1.130)  (  1.404,   2.236,   1.130)  ( 0.00,  0.00,  0.00)
168:     electro (  0.492,  -0.990,   0.070)  (  0.492,  -0.990,   0.070)  ( 0.00,  0.00,  0.00)
168:  9       (  2.604,   1.389,   2.014)  (  3.702,   2.430,   2.209)  (42.15, 74.99,  9.68)
168:     bond    ( -7.812,  -8.638,  -5.588)  ( -7.808,  -8.633,  -5.586)  ( 0.05,  0.05,  0.04)
168:     angle   ( 12.778,  11.374,  19.741)  ( 12.780,  11.376,  19.743)  ( 0.02,  0.02,  0.01)
168:     strbnd  (  4.362,   3.842,  -7.340)  (  4.361,   3.842,  -7.341)  ( 0.02,  0.02,  0.01)
168:     torsion ( -1.339,  -2.456,  -4.051)  ( -1.339,  -2.456,  -4.051)  ( 0.00,  0.00,  0.00)
168:     oop     ( -4.513,  -5.190,  -1.298)  ( -3.420,  -4.155,  -1.107)  (24.21, 19.95, 14.74)
168:     vdw     (  0.230,   3.142,   1.240)  (  0.230,   3.143,   1.240)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.103,  -0.686,  -0.690)  ( -1.103,  -0.686,  -0.690)  ( 0.00,  0.00,  0.00)
168: 10       ( -1.066,   5.610,  -2.893)  ( -0.982,   5.420,  -3.059)  ( 7.81,  3.39,  5.71)
168:     bond    ( -0.630,   1.775,  12.572)  ( -0.627,   1.778,  12.577)  ( 0.18,  0.16,  0.04)
168:     angle   (  6.045,   0.014, -16.923)  (  6.048,   0.016, -16.921)  ( 0.04,  0.00,  0.01)
168:     strbnd  ( -7.393,  -1.780,  -1.355)  ( -7.394,  -1.782,  -1.356)  ( 0.01,  0.08,  0.05)
168:     torsion ( -2.978,   1.047,  -0.463)  ( -2.978,   1.047,  -0.463)  ( 0.00,  0.00,  0.00)
168:     oop     (  1.166,   3.054,   2.028)  (  1.244,   2.860,   1.857)  ( 6.76,  6.34,  8.45)
168:     vdw     (  2.417,   3.304,   0.233)  (  2.417,   3.304,   0.233)  ( 0.00,  0.00,  0.00)
168:     electro (  0.307,  -1.802,   1.015)  (  0.307,  -1.802,   1.015)  ( 0.00,  0.00,  0.00)
168: 11       (  1.808,  -9.619,  -1.369)  (  2.211,  -7.418,  -0.964)  (22.27, 22.88, 29.59)
168:     bond    ( 10.742,   6.592,  -1.930)  ( 10.747,   6.594,  -1.926)  ( 0.05,  0.02,  0.18)
168:     angle   ( -4.937, -17.076,   7.817)  ( -4.936, -17.075,   7.819)  ( 0.04,  0.01,  0.03)
168:     strbnd  ( -1.830,  -0.656,   3.895)  ( -1.830,  -0.657,   3.894)  ( 0.03,  0.03,  0.01)
168:     torsion (  5.970,  14.380,  -7.419)  (  5.971,  14.380,  -7.419)  ( 0.00,  0.00,  0.00)
168:     oop     ( -6.219, -17.227,  -5.679)  ( -5.823, -15.030,  -5.279)  ( 6.37, 12.76,  7.04)
168:     vdw     ( -1.251,   1.961,   1.619)  ( -1.251,   1.961,   1.619)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.667,   2.408,   0.327)  ( -0.667,   2.408,   0.327)  ( 0.00,  0.00,  0.00)
168: 12       ( -0.015,  -0.043,  -0.016)  ( -0.014,  -0.042,  -0.013)  ( 0.00,  0.01,  0.00)
168:     bond    ( -0.064,  -0.227,  -0.383)  ( -0.063,  -0.226,  -0.380)  ( 0.00,  0.02,  0.10)
168:     angle   ( -5.122,  -0.874,   1.372)  ( -5.121,  -0.873,   1.372)  ( 0.01,  0.03,  0.01)
168:     strbnd  (  0.712,   0.432,   0.989)  (  0.712,   0.432,   0.989)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.289,  -0.711,   0.374)  (  0.289,  -0.711,   0.374)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.169,   1.337,  -2.368)  (  4.169,   1.337,  -2.368)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 13       (  0.174,  -1.208,  -0.013)  (  0.176,  -1.206,  -0.012)  ( 0.04,  0.16,  0.00)
168:     bond    (  7.080, -17.260,   8.482)  (  7.081, -17.259,   8.482)  ( 0.02,  0.01,  0.00)
168:     angle   ( -5.148,   2.623,  -1.308)  ( -5.148,   2.624,  -1.307)  ( 0.00,  0.03,  0.05)
168:     strbnd  ( -0.387,   6.300,  -1.373)  ( -0.387,   6.299,  -1.373)  ( 0.00,  0.01,  0.00)
168:     torsion (  0.837,   0.450,   0.871)  (  0.837,   0.450,   0.871)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.152,   6.289,  -6.678)  ( -2.152,   6.289,  -6.677)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.055,   0.391,  -0.007)  ( -0.055,   0.391,  -0.007)  ( 0.00,  0.00,  0.00)
168: 14       ( -1.151,   8.695,   3.501)  ( -5.409,   3.347,   2.087)  (369.90, 61.50, 40.40)
168:     bond    (  1.728,   7.650, -26.617)  (  1.731,   7.651, -26.606)  ( 0.18,  0.02,  0.04)
168:     angle   (-12.444,  -3.256,  -6.802)  (-12.443,  -3.255,  -6.800)  ( 0.01,  0.03,  0.03)
168:     strbnd  ( -0.283,  -8.072,  23.375)  ( -0.284,  -8.072,  23.374)  ( 0.01,  0.00,  0.01)
168:     torsion ( -1.208,  -7.791,   2.702)  ( -1.208,  -7.791,   2.702)  ( 0.01,  0.00,  0.00)
168:     oop     ( 16.911,  22.685,   7.558)  ( 12.649,  17.335,   6.131)  (25.21, 23.58, 18.88)
168:     vdw     ( -7.544,  -1.421,   3.983)  ( -7.544,  -1.421,   3.983)  ( 0.00,  0.00,  0.00)
168:     electro (  1.689,  -1.100,  -0.697)  (  1.689,  -1.100,  -0.697)  ( 0.00,  0.00,  0.00)
168: 15       (  0.005,   0.033,  -0.033)  (  0.006,   0.036,  -0.032)  ( 0.00,  0.01,  0.00)
168:     bond    ( -0.124,  -3.231,  -0.971)  ( -0.124,  -3.228,  -0.971)  ( 0.00,  0.10,  0.03)
168:     angle   (  4.975,   0.074,  -0.882)  (  4.976,   0.074,  -0.882)  ( 0.01,  0.00,  0.04)
168:     strbnd  ( -1.156,   1.633,  -0.157)  ( -1.156,   1.633,  -0.157)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.003,  -0.118,   0.391)  ( -0.003,  -0.118,   0.391)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.688,   1.674,   1.586)  ( -3.688,   1.674,   1.586)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 16       ( -7.534,  -3.810,   1.039)  ( -4.877,  -0.640,   2.015)  (35.26, 83.21, 93.87)
168:     bond    ( -4.283,  -2.663,  20.496)  ( -4.282,  -2.663,  20.505)  ( 0.01,  0.00,  0.05)
168:     angle   ( -0.168,   2.881,   0.339)  ( -0.168,   2.882,   0.339)  ( 0.01,  0.01,  0.00)
168:     strbnd  (  4.201,   1.886, -19.314)  (  4.201,   1.886, -19.314)  ( 0.00,  0.01,  0.00)
168:     torsion (  1.537,   3.049,   0.717)  (  1.537,   3.049,   0.717)  ( 0.00,  0.00,  0.00)
168:     oop     ( -7.000,  -8.683,  -2.589)  ( -4.344,  -5.513,  -1.623)  (37.94, 36.51, 37.31)
168:     vdw     ( -3.415,  -0.431,   2.105)  ( -3.415,  -0.431,   2.105)  ( 0.00,  0.00,  0.00)
168:     electro (  1.594,   0.150,  -0.714)  (  1.594,   0.150,  -0.714)  ( 0.00,  0.00,  0.00)
168: 17       ( -0.036,   2.770,  -1.504)  ( -0.031,   2.774,  -1.500)  ( 0.02,  0.15,  0.30)
168:     bond    ( -7.091,   2.130,  -1.977)  ( -7.088,   2.132,  -1.974)  ( 0.05,  0.14,  0.17)
168:     angle   (  4.462,   8.345,  -1.889)  (  4.464,   8.347,  -1.887)  ( 0.04,  0.02,  0.09)
168:     strbnd  (  3.433,  -7.634,   3.029)  (  3.432,  -7.635,   3.028)  ( 0.02,  0.01,  0.02)
168:     torsion ( -1.295,  -0.201,  -0.359)  ( -1.295,  -0.201,  -0.359)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.436,   1.064,  -0.784)  (  0.436,   1.064,  -0.784)  ( 0.00,  0.00,  0.00)
168:     electro (  0.019,  -0.933,   0.477)  (  0.019,  -0.933,   0.477)  ( 0.00,  0.00,  0.00)
168: 18       (  4.892,  -0.985,   0.285)  (  5.287,  -1.716,  -0.060)  ( 8.09, 71.97,  9.84)
168:     bond    (  2.690,  -5.259,  -9.175)  (  2.694,  -5.255,  -9.171)  ( 0.14,  0.07,  0.05)
168:     angle   (  0.459,   8.749,   5.203)  (  0.461,   8.751,   5.206)  ( 0.09,  0.02,  0.04)
168:     strbnd  (  3.654,  -2.284,  -2.072)  (  3.653,  -2.285,  -2.073)  ( 0.03,  0.02,  0.02)
168:     torsion (  2.026,  -5.810,   3.568)  (  2.026,  -5.810,   3.568)  ( 0.00,  0.00,  0.00)
168:     oop     ( -2.189,   4.693,   2.103)  ( -1.798,   3.957,   1.752)  (17.86, 15.67, 16.70)
168:     vdw     (  0.057,  -1.642,   0.671)  (  0.057,  -1.642,   0.671)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.806,   0.567,  -0.013)  ( -1.806,   0.567,  -0.013)  ( 0.00,  0.00,  0.00)
168: 19       (  0.014,  -0.054,   0.035)  (  0.020,  -0.048,   0.040)  ( 0.01,  0.03,  0.02)
168:     bond    ( -4.572,   7.582,   9.251)  ( -4.568,   7.586,   9.256)  ( 0.10,  0.06,  0.05)
168:     angle   (  4.311, -10.172,  -3.123)  (  4.312, -10.170,  -3.121)  ( 0.04,  0.02,  0.06)
168:     strbnd  ( -2.161,   2.017,   1.879)  ( -2.161,   2.016,   1.878)  ( 0.02,  0.03,  0.04)
168:     torsion ( -0.707,  -0.056,  -0.329)  ( -0.707,  -0.056,  -0.328)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.144,   0.575,  -7.644)  (  3.144,   0.575,  -7.644)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 20       (  0.055,   0.023,  -0.083)  (  0.061,   0.028,  -0.077)  ( 0.03,  0.01,  0.05)
168:     bond    ( -7.858,  -5.077,  -5.109)  ( -7.854,  -5.072,  -5.105)  ( 0.05,  0.09,  0.09)
168:     angle   (  6.358,   2.036,   6.266)  (  6.360,   2.038,   6.268)  ( 0.03,  0.09,  0.03)
168:     strbnd  ( -2.171,  -0.422,  -1.231)  ( -2.172,  -0.423,  -1.232)  ( 0.04,  0.02,  0.05)
168:     torsion (  0.971,  -0.883,  -0.568)  (  0.971,  -0.883,  -0.568)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.756,   4.369,   0.559)  (  2.756,   4.369,   0.559)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 21       (  0.488,   0.737,  -2.713)  ( -0.474,   0.559,  -1.918)  (46.96, 13.13, 29.31)
168:     bond    ( -7.303,  18.452,  -4.755)  ( -7.301,  18.461,  -4.751)  ( 0.03,  0.05,  0.10)
168:     angle   ( 11.493, -17.158,   1.980)  ( 11.494, -17.156,   1.981)  ( 0.01,  0.01,  0.07)
168:     strbnd  ( -4.739,   3.053,  -5.420)  ( -4.739,   3.052,  -5.421)  ( 0.01,  0.04,  0.02)
168:     torsion ( -1.507,   0.152,   2.650)  ( -1.507,   0.152,   2.650)  ( 0.01,  0.00,  0.00)
168:     oop     (  5.247,   1.013,  -4.389)  (  4.282,   0.825,  -3.599)  (18.39, 18.57, 18.00)
168:     vdw     ( -2.898,  -4.553,   6.605)  ( -2.898,  -4.553,   6.605)  ( 0.00,  0.00,  0.00)
168:     electro (  0.195,  -0.222,   0.617)  (  0.195,  -0.222,   0.617)  ( 0.00,  0.00,  0.00)
168: 22       (  0.011,   0.068,   0.026)  (  0.012,   0.070,   0.029)  ( 0.00,  0.01,  0.01)
168:     bond    (  0.328,  -2.247,  -3.859)  (  0.328,  -2.246,  -3.857)  ( 0.00,  0.04,  0.06)
168:     angle   ( -0.121,   1.446,  -0.853)  ( -0.120,   1.446,  -0.853)  ( 0.01,  0.03,  0.01)
168:     strbnd  (  0.002,   0.481,   0.353)  (  0.002,   0.481,   0.353)  ( 0.00,  0.00,  0.00)
168:     torsion ( -2.329,  -0.221,  -0.069)  ( -2.329,  -0.221,  -0.069)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.131,   0.609,   4.454)  (  2.131,   0.609,   4.454)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 23       ( -3.234,   0.160,   0.213)  ( -3.041,   0.205,   0.050)  ( 5.98,  0.73,  3.48)
168:     bond    (  2.346,  -0.713,   2.597)  (  2.348,  -0.708,   2.600)  ( 0.09,  0.35,  0.10)
168:     angle   ( -9.647,   2.693,  -9.181)  ( -9.647,   2.694,  -9.181)  ( 0.00,  0.05,  0.00)
168:     strbnd  (  2.977,   2.363,   3.838)  (  2.977,   2.363,   3.837)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.013,   0.016,  -0.011)  (  0.013,   0.016,  -0.011)  ( 0.00,  0.00,  0.00)
168:     oop     ( -1.579,  -0.309,   1.374)  ( -1.388,  -0.270,   1.208)  (12.09,  1.23, 12.08)
168:     vdw     (  1.642,  -3.834,   1.605)  (  1.642,  -3.834,   1.605)  ( 0.00,  0.00,  0.00)
168:     electro (  1.014,  -0.057,  -0.008)  (  1.014,  -0.057,  -0.008)  ( 0.00,  0.00,  0.00)
168: 24       (  0.004,   0.003,  -0.053)  (  0.005,   0.004,  -0.052)  ( 0.00,  0.00,  0.01)
168:     bond    ( -1.196,   1.182,  -0.827)  ( -1.194,   1.183,  -0.827)  ( 0.12,  0.11,  0.05)
168:     angle   ( -1.332,  -1.852,  -0.728)  ( -1.331,  -1.852,  -0.727)  ( 0.02,  0.02,  0.03)
168:     strbnd  (  0.241,  -1.027,   0.189)  (  0.241,  -1.026,   0.189)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.038,   0.002,   0.057)  ( -0.038,   0.002,   0.057)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.329,   1.697,   1.256)  (  2.329,   1.697,   1.256)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 25       ( -0.012,  -0.040,  -0.043)  ( -0.010,  -0.039,  -0.041)  ( 0.00,  0.01,  0.01)
168:     bond    ( -1.200,  -1.265,   1.435)  ( -1.199,  -1.264,   1.436)  ( 0.08,  0.08,  0.10)
168:     angle   ( -2.311,  -0.524,  -2.391)  ( -2.311,  -0.524,  -2.391)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( -0.046,   0.131,  -0.817)  ( -0.046,   0.131,  -0.817)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.070,  -0.086,  -0.017)  (  0.070,  -0.086,  -0.017)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.476,   1.704,   1.748)  (  3.476,   1.704,   1.748)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 26       (  0.017,   0.031,  -0.062)  (  0.018,   0.032,  -0.060)  ( 0.00,  0.00,  0.01)
168:     bond    (  0.799,  -1.340,  -1.580)  (  0.799,  -1.338,  -1.578)  ( 0.04,  0.09,  0.11)
168:     angle   ( -3.338,  -0.613,  -1.171)  ( -3.337,  -0.613,  -1.171)  ( 0.01,  0.02,  0.02)
168:     strbnd  ( -0.745,   0.134,   0.227)  ( -0.745,   0.134,   0.227)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.007,  -0.067,   0.060)  (  0.007,  -0.067,   0.060)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.293,   1.916,   2.401)  (  3.293,   1.916,   2.401)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 27       ( -0.029,  -0.013,  -0.016)  ( -0.027,  -0.011,  -0.015)  ( 0.01,  0.00,  0.00)
168:     bond    ( -1.391,   1.340,  -0.747)  ( -1.389,   1.342,  -0.747)  ( 0.11,  0.11,  0.03)
168:     angle   ( -1.015,   0.530,   2.839)  ( -1.015,   0.530,   2.840)  ( 0.02,  0.01,  0.02)
168:     strbnd  (  0.553,  -0.368,   1.021)  (  0.553,  -0.368,   1.021)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.250,  -0.232,   0.047)  ( -0.250,  -0.232,   0.047)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.074,  -1.282,  -3.176)  (  2.074,  -1.282,  -3.176)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 28       ( -0.034,  -0.055,  -0.010)  ( -0.032,  -0.053,  -0.008)  ( 0.01,  0.01,  0.00)
168:     bond    (  1.317,   0.998,   0.899)  (  1.318,   0.999,   0.900)  ( 0.13,  0.10,  0.07)
168:     angle   ( -2.910,   1.945,   2.102)  ( -2.910,   1.946,   2.102)  ( 0.01,  0.02,  0.02)
168:     strbnd  ( -0.799,   0.069,   0.229)  ( -0.799,   0.069,   0.229)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.012,   0.069,  -0.059)  ( -0.012,   0.069,  -0.059)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.371,  -3.136,  -3.182)  (  2.371,  -3.135,  -3.182)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 29       ( -0.014,  -0.055,  -0.036)  ( -0.012,  -0.054,  -0.034)  ( 0.00,  0.01,  0.01)
168:     bond    ( -1.198,  -1.403,   1.700)  ( -1.197,  -1.402,   1.701)  ( 0.06,  0.08,  0.09)
168:     angle   ( -1.824,   2.897,   1.105)  ( -1.823,   2.897,   1.105)  ( 0.02,  0.01,  0.02)
168:     strbnd  (  0.202,   1.021,  -0.133)  (  0.202,   1.021,  -0.133)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.274,  -0.031,   0.167)  (  0.274,  -0.031,   0.167)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.531,  -2.539,  -2.875)  (  2.532,  -2.539,  -2.875)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 30       (  7.205,   2.240,   7.247)  (  7.205,   2.245,   7.247)  ( 0.01,  0.22,  0.01)
168:     bond    ( -0.177,   0.738,  -0.096)  ( -0.177,   0.743,  -0.096)  ( 0.01,  0.36,  0.00)
168:     angle   (  8.417,   3.317,  10.163)  (  8.417,   3.317,  10.163)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  0.382,  -1.272,   0.256)  (  0.382,  -1.272,   0.256)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.882,   0.111,  -0.766)  (  0.882,   0.111,  -0.766)  ( 0.01,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.106,   0.075,   0.091)  (  0.106,   0.075,   0.091)  ( 0.00,  0.00,  0.00)
168:     electro ( -2.405,  -0.728,  -2.400)  ( -2.405,  -0.728,  -2.400)  ( 0.00,  0.00,  0.00)
168: 31       (-10.418,   1.586,  -7.406)  ( -9.943,   1.689,  -7.787)  ( 4.56,  6.45,  5.14)
168:     bond    ( -0.691,  -2.922,  -1.578)  ( -0.691,  -2.915,  -1.576)  ( 0.03,  0.24,  0.13)
168:     angle   (-11.279,   8.740, -11.218)  (-11.279,   8.740, -11.218)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( -0.400,   0.562,  -0.346)  ( -0.400,   0.562,  -0.346)  ( 0.00,  0.01,  0.00)
168:     torsion ( -0.438,  -0.113,   0.402)  ( -0.438,  -0.113,   0.402)  ( 0.00,  0.00,  0.00)
168:     oop     ( -2.089,  -0.433,   1.715)  ( -1.615,  -0.338,   1.332)  (22.71,  4.11, 22.34)
168:     vdw     (  1.193,  -3.724,   0.966)  (  1.193,  -3.724,   0.966)  ( 0.00,  0.00,  0.00)
168:     electro (  3.286,  -0.524,   2.653)  (  3.286,  -0.524,   2.653)  ( 0.00,  0.00,  0.00)
168: ok 32 # gradients 
168: ok 33 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       (  0.511,  -0.096,  -0.005)  (  0.520,  -0.092,   0.001)  ( 0.45,  0.03,  0.00)
168:     bond    (  9.838,  -1.834,   0.007)  (  9.844,  -1.832,   0.011)  ( 0.07,  0.10,  0.00)
168:     angle   (  6.646,  -1.255,  -0.018)  (  6.648,  -1.254,  -0.017)  ( 0.03,  0.05,  0.00)
168:     strbnd  ( -3.095,   0.579,   0.001)  ( -3.095,   0.579,   0.001)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.001,   0.001,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (-12.705,   2.379,   0.009)  (-12.705,   2.379,   0.009)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.173,   0.032,   0.000)  ( -0.173,   0.032,   0.000)  ( 0.00,  0.00,  0.00)
168:  2       ( -0.075,   0.318,   0.474)  ( -0.066,   0.334,   0.472)  ( 0.07,  0.52,  0.08)
168:     bond    ( 15.243,  -7.110,  -6.312)  ( 15.248,  -7.108,  -6.308)  ( 0.04,  0.03,  0.07)
168:     angle   ( -4.881,  -0.262,  -1.754)  ( -4.879,  -0.261,  -1.753)  ( 0.04,  0.02,  0.09)
168:     strbnd  ( -1.609,   1.725,   2.154)  ( -1.609,   1.725,   2.154)  ( 0.01,  0.00,  0.01)
168:     torsion (  0.015,   0.078,  -0.054)  (  0.015,   0.079,  -0.054)  ( 0.00,  0.01,  0.00)
168:     oop     ( -0.015,  -0.078,   0.052)  ( -0.012,  -0.066,   0.044)  ( 0.00,  0.10,  0.04)
168:     vdw     ( -8.822,   6.095,   6.582)  ( -8.822,   6.095,   6.582)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.006,  -0.130,  -0.194)  ( -0.006,  -0.130,  -0.194)  ( 0.00,  0.00,  0.00)
168:  3       ( -0.080,   0.261,   0.300)  ( -0.079,   0.234,   0.325)  ( 0.01,  0.70,  0.76)
168:     bond    (  0.609,  -8.879, -13.408)  (  0.614,  -8.877, -13.405)  ( 0.30,  0.02,  0.03)
168:     angle   ( -7.772,   3.135,   2.969)  ( -7.770,   3.136,   2.970)  ( 0.02,  0.03,  0.05)
168:     strbnd  (  2.453,  -0.620,  -0.234)  (  2.453,  -0.620,  -0.235)  ( 0.01,  0.01,  0.01)
168:     torsion ( -0.243,   0.162,   0.098)  ( -0.243,   0.163,   0.098)  ( 0.00,  0.01,  0.00)
168:     oop     (  0.034,   0.181,  -0.121)  (  0.028,   0.151,  -0.101)  ( 0.02,  0.55,  0.25)
168:     vdw     (  4.751,   6.373,  11.116)  (  4.751,   6.373,  11.116)  ( 0.00,  0.00,  0.00)
168:     electro (  0.088,  -0.091,  -0.119)  (  0.088,  -0.091,  -0.119)  ( 0.00,  0.00,  0.00)
168:  4       ( -0.195,   0.032,   0.015)  ( -0.188,   0.037,   0.020)  ( 0.13,  0.02,  0.01)
168:     bond    ( -7.919,   1.496,   0.029)  ( -7.915,   1.498,   0.032)  ( 0.06,  0.11,  0.01)
168:     angle   (  7.321,  -1.377,  -0.013)  (  7.323,  -1.376,  -0.012)  ( 0.03,  0.07,  0.00)
168:     strbnd  ( -7.154,   1.339,   0.000)  ( -7.155,   1.339,   0.000)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.002,  -0.005,   0.001)  ( -0.002,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.001,  -0.007,   0.004)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
168:     vdw     (  7.561,  -1.415,  -0.006)  (  7.562,  -1.415,  -0.006)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  5       ( -0.246,  -0.217,  -0.384)  ( -0.235,  -0.186,  -0.397)  ( 0.29,  0.67,  0.50)
168:     bond    (  3.740,   8.034,  13.340)  (  3.745,   8.036,  13.343)  ( 0.13,  0.02,  0.03)
168:     angle   ( -8.410,  -0.116,  -2.962)  ( -8.408,  -0.115,  -2.960)  ( 0.02,  0.01,  0.05)
168:     strbnd  (  2.516,  -0.308,   0.233)  (  2.515,  -0.309,   0.233)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.284,  -0.056,  -0.104)  ( -0.284,  -0.055,  -0.103)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.031,  -0.165,   0.109)  ( -0.025,  -0.137,   0.091)  ( 0.02,  0.46,  0.20)
168:     vdw     (  2.108,  -7.659, -11.120)  (  2.108,  -7.659, -11.120)  ( 0.00,  0.00,  0.00)
168:     electro (  0.115,   0.053,   0.119)  (  0.115,   0.053,   0.119)  ( 0.00,  0.00,  0.00)
168:  6       ( -0.141,  -0.330,  -0.527)  ( -0.136,  -0.337,  -0.513)  ( 0.08,  0.25,  0.74)
168:     bond    ( 16.822,   1.066,   6.232)  ( 16.827,   1.068,   6.236)  ( 0.03,  0.19,  0.07)
168:     angle   ( -4.438,   2.007,   1.762)  ( -4.436,   2.007,   1.763)  ( 0.05,  0.03,  0.09)
168:     strbnd  ( -2.127,  -1.024,  -2.150)  ( -2.127,  -1.024,  -2.150)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.016,  -0.084,   0.056)  ( -0.016,  -0.083,   0.056)  ( 0.00,  0.01,  0.00)
168:     oop     (  0.013,   0.071,  -0.048)  (  0.011,   0.060,  -0.040)  ( 0.00,  0.08,  0.04)
168:     vdw     (-10.436,  -2.488,  -6.572)  (-10.436,  -2.488,  -6.572)  ( 0.00,  0.00,  0.00)
168:     electro (  0.041,   0.123,   0.194)  (  0.041,   0.123,   0.194)  ( 0.00,  0.00,  0.00)
168:  7       (  0.083,   0.029,  -0.027)  (  0.090,   0.034,  -0.024)  ( 0.06,  0.02,  0.01)
168:     bond    ( -5.715,   1.120,  -0.030)  ( -5.710,   1.124,  -0.028)  ( 0.08,  0.35,  0.00)
168:     angle   ( -3.925,   0.733,   0.006)  ( -3.923,   0.734,   0.007)  ( 0.05,  0.10,  0.00)
168:     strbnd  ( 10.212,  -1.917,  -0.002)  ( 10.212,  -1.917,  -0.002)  ( 0.00,  0.01,  0.00)
168:     torsion ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.489,   0.094,  -0.002)  ( -0.488,   0.094,  -0.002)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  8       ( -0.108,   1.157,  -0.705)  ( -0.101,   1.163,  -0.702)  ( 0.08,  0.53,  0.24)
168:     bond    ( -3.483, -12.638,   7.907)  ( -3.478, -12.633,   7.908)  ( 0.16,  0.03,  0.02)
168:     angle   (  3.798,   0.832,  -0.921)  (  3.800,   0.834,  -0.921)  ( 0.04,  0.11,  0.04)
168:     strbnd  (  1.060,  -1.300,   0.656)  (  1.060,  -1.300,   0.656)  ( 0.02,  0.01,  0.00)
168:     torsion (  0.019,   0.099,   0.166)  (  0.019,   0.099,   0.167)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.505,  14.542,  -8.739)  ( -1.505,  14.542,  -8.739)  ( 0.01,  0.00,  0.00)
168:     electro (  0.004,  -0.378,   0.228)  (  0.004,  -0.378,   0.228)  ( 0.00,  0.00,  0.00)
168:  9       (  0.009,  -0.348,   0.187)  (  0.016,  -0.342,   0.191)  ( 0.01,  0.21,  0.07)
168:     bond    ( -2.492,  -7.482,   4.725)  ( -2.486,  -7.478,   4.727)  ( 0.23,  0.05,  0.03)
168:     angle   ( -4.105,  -3.933,   2.798)  ( -4.103,  -3.931,   2.798)  ( 0.04,  0.03,  0.02)
168:     strbnd  ( -4.222,   0.031,   0.453)  ( -4.222,   0.031,   0.453)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.000,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 10.835,  10.954,  -7.728)  ( 10.835,  10.954,  -7.728)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.006,   0.087,  -0.052)  ( -0.006,   0.087,  -0.052)  ( 0.00,  0.00,  0.00)
168: 10       (  2.631,  -0.498,   0.003)  (  2.635,  -0.493,   0.006)  ( 0.16,  0.24,  0.00)
168:     bond    (-13.181,   2.472,   0.003)  (-13.178,   2.476,   0.004)  ( 0.02,  0.16,  0.00)
168:     angle   (  8.282,  -1.555,  -0.003)  (  8.284,  -1.555,  -0.003)  ( 0.02,  0.02,  0.00)
168:     strbnd  (  0.147,  -0.037,   0.005)  (  0.147,  -0.037,   0.006)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (  8.264,  -1.546,  -0.006)  (  8.265,  -1.546,  -0.006)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.883,   0.165,   0.001)  ( -0.883,   0.165,   0.001)  ( 0.00,  0.00,  0.00)
168: 11       (  0.028,   0.306,  -0.205)  (  0.035,   0.312,  -0.201)  ( 0.02,  0.19,  0.08)
168:     bond    (  0.276,   7.851,  -4.706)  (  0.282,   7.855,  -4.705)  ( 0.16,  0.05,  0.03)
168:     angle   ( -2.425,   5.161,  -2.800)  ( -2.424,   5.163,  -2.800)  ( 0.07,  0.03,  0.02)
168:     strbnd  ( -3.937,   1.510,  -0.456)  ( -3.938,   1.510,  -0.456)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     (  6.153, -14.132,   7.716)  (  6.153, -14.132,   7.716)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.037,  -0.079,   0.052)  ( -0.037,  -0.079,   0.052)  ( 0.00,  0.00,  0.00)
168: 12       ( -0.373,  -1.134,   0.744)  ( -0.366,  -1.129,   0.747)  ( 0.27,  0.47,  0.19)
168:     bond    (  1.440,  12.965,  -7.881)  (  1.446,  12.969,  -7.880)  ( 0.38,  0.03,  0.02)
168:     angle   (  3.262,  -2.172,   0.925)  (  3.264,  -2.171,   0.925)  ( 0.05,  0.06,  0.04)
168:     strbnd  (  1.447,   0.834,  -0.660)  (  1.447,   0.834,  -0.660)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.018,  -0.096,  -0.161)  ( -0.018,  -0.095,  -0.160)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -6.645, -13.018,   8.747)  ( -6.645, -13.018,   8.747)  ( 0.00,  0.00,  0.00)
168:     electro (  0.140,   0.351,  -0.228)  (  0.140,   0.351,  -0.228)  ( 0.00,  0.00,  0.00)
168: 13       ( -0.263,  -0.228,   0.157)  ( -0.261,  -0.226,   0.159)  ( 0.05,  0.05,  0.02)
168:     bond    (  0.532,   0.585,  -0.410)  (  0.533,   0.587,  -0.409)  ( 0.07,  0.10,  0.03)
168:     angle   ( -1.375,   0.959,  -0.417)  ( -1.375,   0.959,  -0.417)  ( 0.03,  0.02,  0.00)
168:     strbnd  ( -0.291,   0.302,  -0.147)  ( -0.291,   0.302,  -0.147)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.002,  -0.013,  -0.021)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.001,  -0.001)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.782,  -2.146,   1.210)  (  0.782,  -2.146,   1.210)  ( 0.00,  0.00,  0.00)
168:     electro (  0.092,   0.086,  -0.056)  (  0.092,   0.086,  -0.056)  ( 0.00,  0.00,  0.00)
168: 14       ( -0.602,   0.636,  -0.300)  ( -0.601,   0.639,  -0.299)  ( 0.08,  0.16,  0.03)
168:     bond    ( -0.713,   1.410,  -0.761)  ( -0.713,   1.412,  -0.760)  ( 0.04,  0.17,  0.05)
168:     angle   ( -1.054,  -0.355,   0.329)  ( -1.053,  -0.355,   0.329)  ( 0.06,  0.00,  0.00)
168:     strbnd  (  0.385,   0.200,  -0.162)  (  0.385,   0.200,  -0.162)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.001,   0.005,   0.009)  (  0.001,   0.006,   0.009)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.575,  -0.404,   0.175)  (  0.575,  -0.404,   0.175)  ( 0.00,  0.00,  0.00)
168:     electro (  0.205,  -0.220,   0.109)  (  0.205,  -0.220,   0.109)  ( 0.00,  0.00,  0.00)
168: 15       (  0.332,  -0.118,  -0.060)  (  0.339,  -0.102,  -0.061)  ( 0.25,  0.18,  0.01)
168:     bond    ( -7.125,  -4.896,  -9.263)  ( -7.121,  -4.892,  -9.259)  ( 0.06,  0.09,  0.05)
168:     angle   (  6.393,   2.270,   5.666)  (  6.394,   2.272,   5.667)  ( 0.03,  0.07,  0.03)
168:     strbnd  (  0.273,  -0.725,  -1.181)  (  0.272,  -0.726,  -1.182)  ( 0.02,  0.04,  0.08)
168:     torsion (  1.289,  -0.354,  -0.774)  (  1.289,  -0.353,  -0.774)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.010,  -0.056,   0.038)  ( -0.009,  -0.047,   0.031)  ( 0.00,  0.05,  0.02)
168:     vdw     ( -0.361,   3.610,   5.432)  ( -0.361,   3.610,   5.432)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.126,   0.033,   0.024)  ( -0.126,   0.033,   0.024)  ( 0.00,  0.00,  0.00)
168: 16       (  1.094,  -0.202,   0.008)  (  1.098,  -0.201,   0.009)  ( 0.42,  0.01,  0.00)
168:     bond    ( -1.105,   0.206,   0.001)  ( -1.100,   0.206,   0.001)  ( 0.41,  0.00,  0.00)
168:     angle   (  0.001,   0.005,   0.007)  (  0.001,   0.005,   0.007)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  3.048,  -0.570,  -0.001)  (  3.048,  -0.570,  -0.001)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.498,   0.093,   0.000)  ( -0.498,   0.093,   0.001)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.353,   0.066,   0.000)  ( -0.353,   0.066,   0.000)  ( 0.00,  0.00,  0.00)
168: 17       ( -1.177,  -0.211,  -0.630)  ( -1.176,  -0.211,  -0.627)  ( 0.12,  0.01,  0.21)
168:     bond    ( -0.132,   0.174,   0.223)  ( -0.131,   0.175,   0.225)  ( 0.01,  0.03,  0.05)
168:     angle   (  1.479,   0.192,   0.711)  (  1.480,   0.192,   0.711)  ( 0.05,  0.00,  0.01)
168:     strbnd  (  1.315,  -1.062,  -1.217)  (  1.315,  -1.062,  -1.217)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.011,  -0.057,   0.038)  ( -0.011,  -0.057,   0.038)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.001,   0.006,  -0.004)  (  0.001,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -4.211,   0.450,  -0.614)  ( -4.210,   0.450,  -0.614)  ( 0.00,  0.00,  0.00)
168:     electro (  0.380,   0.086,   0.234)  (  0.380,   0.086,   0.234)  ( 0.00,  0.00,  0.00)
168: 18       (  0.347,  -0.021,   0.119)  (  0.351,  -0.024,   0.130)  ( 0.15,  0.01,  0.13)
168:     bond    ( -4.885,   7.159,   9.319)  ( -4.880,   7.163,   9.323)  ( 0.09,  0.06,  0.05)
168:     angle   (  5.152,  -4.463,  -5.651)  (  5.154,  -4.462,  -5.649)  ( 0.04,  0.03,  0.03)
168:     strbnd  (  0.516,   0.583,   1.171)  (  0.515,   0.582,   1.170)  ( 0.03,  0.04,  0.08)
168:     torsion (  1.334,  -0.130,   0.768)  (  1.334,  -0.130,   0.768)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.010,   0.051,  -0.034)  (  0.008,   0.042,  -0.028)  ( 0.00,  0.04,  0.02)
168:     vdw     ( -1.650,  -3.234,  -5.431)  ( -1.650,  -3.234,  -5.431)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.129,   0.014,  -0.024)  ( -0.129,   0.014,  -0.024)  ( 0.00,  0.00,  0.00)
168: 19       ( -0.995,   0.639,   0.659)  ( -0.993,   0.641,   0.661)  ( 0.24,  0.13,  0.13)
168:     bond    ( -0.161,  -0.100,  -0.195)  ( -0.159,  -0.099,  -0.193)  ( 0.03,  0.01,  0.05)
168:     angle   (  1.304,  -0.712,  -0.711)  (  1.305,  -0.712,  -0.711)  ( 0.04,  0.01,  0.01)
168:     strbnd  (  1.615,   0.513,   1.214)  (  1.615,   0.513,   1.214)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.011,   0.057,  -0.038)  (  0.011,   0.058,  -0.038)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.001,  -0.006,   0.004)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -4.086,   1.106,   0.619)  ( -4.086,   1.106,   0.619)  ( 0.00,  0.00,  0.00)
168:     electro (  0.323,  -0.218,  -0.234)  (  0.323,  -0.218,  -0.234)  ( 0.00,  0.00,  0.00)
168: 20       ( -0.147,   0.296,  -0.160)  ( -0.146,   0.299,  -0.159)  ( 0.02,  0.08,  0.01)
168:     bond    (  0.288,  -0.750,   0.412)  (  0.289,  -0.747,   0.413)  ( 0.01,  0.20,  0.03)
168:     angle   ( -1.609,  -0.393,   0.414)  ( -1.608,  -0.393,   0.414)  ( 0.04,  0.00,  0.00)
168:     strbnd  ( -0.388,  -0.178,   0.149)  ( -0.388,  -0.178,   0.149)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.002,   0.011,   0.019)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.503,   1.719,  -1.212)  (  1.503,   1.719,  -1.212)  ( 0.00,  0.00,  0.00)
168:     electro (  0.055,  -0.113,   0.056)  (  0.055,  -0.113,   0.056)  ( 0.00,  0.00,  0.00)
168: 21       ( -0.773,  -0.355,   0.288)  ( -0.771,  -0.353,   0.289)  ( 0.16,  0.06,  0.02)
168:     bond    ( -1.156,  -1.042,   0.748)  ( -1.154,  -1.041,   0.749)  ( 0.15,  0.13,  0.05)
168:     angle   ( -0.862,   0.717,  -0.330)  ( -0.861,   0.717,  -0.330)  ( 0.04,  0.02,  0.00)
168:     strbnd  (  0.292,  -0.327,   0.162)  (  0.292,  -0.327,   0.162)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.007)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.682,   0.169,  -0.176)  (  0.682,   0.169,  -0.176)  ( 0.00,  0.00,  0.00)
168:     electro (  0.271,   0.131,  -0.109)  (  0.271,   0.131,  -0.109)  ( 0.00,  0.00,  0.00)
168: 22       ( -0.002,  -0.011,   0.010)  ( -0.001,  -0.009,   0.011)  ( 0.00,  0.00,  0.00)
168:     bond    ( -0.526,   0.784,  -0.542)  ( -0.525,   0.786,  -0.541)  ( 0.04,  0.14,  0.05)
168:     angle   (  1.195,  -1.233,  -2.949)  (  1.195,  -1.233,  -2.949)  ( 0.03,  0.02,  0.01)
168:     strbnd  ( -0.255,  -0.588,  -0.393)  ( -0.255,  -0.588,  -0.393)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.565,  -0.064,   0.455)  ( -0.565,  -0.064,   0.455)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.149,   1.091,   3.440)  (  0.149,   1.091,   3.440)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 23       ( -0.002,  -0.011,   0.000)  ( -0.001,  -0.010,   0.001)  ( 0.00,  0.00,  0.00)
168:     bond    ( -0.710,  -0.703,   0.394)  ( -0.709,  -0.701,   0.395)  ( 0.11,  0.10,  0.02)
168:     angle   (  0.978,  -1.990,  -1.779)  (  0.979,  -1.990,  -1.778)  ( 0.03,  0.01,  0.03)
168:     strbnd  ( -0.228,  -0.099,  -0.703)  ( -0.228,  -0.099,  -0.703)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.442,   0.487,   0.072)  ( -0.442,   0.487,   0.072)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.399,   2.293,   2.016)  (  0.399,   2.293,   2.016)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 24       (  0.016,   0.004,  -0.000)  (  0.017,   0.005,   0.001)  ( 0.00,  0.00,  0.00)
168:     bond    (  0.712,  -0.619,  -0.845)  (  0.713,  -0.618,  -0.844)  ( 0.08,  0.05,  0.13)
168:     angle   ( -4.410,  -0.925,  -3.048)  ( -4.410,  -0.925,  -3.048)  ( 0.01,  0.03,  0.01)
168:     strbnd  ( -0.899,   0.082,  -0.052)  ( -0.899,   0.082,  -0.052)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.011,  -0.086,   0.054)  ( -0.011,  -0.086,   0.054)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.624,   1.552,   3.891)  (  4.624,   1.552,   3.891)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 25       (  0.015,   0.029,  -0.030)  (  0.017,   0.030,  -0.029)  ( 0.00,  0.00,  0.00)
168:     bond    ( -0.752,  -0.529,   0.528)  ( -0.750,  -0.529,   0.529)  ( 0.13,  0.05,  0.04)
168:     angle   (  1.555,   0.717,   2.924)  (  1.555,   0.718,   2.924)  ( 0.02,  0.03,  0.01)
168:     strbnd  ( -0.027,   0.641,   0.396)  ( -0.027,   0.641,   0.396)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.505,   0.263,  -0.453)  ( -0.505,   0.263,  -0.453)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.257,  -1.063,  -3.425)  ( -0.257,  -1.063,  -3.425)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 26       ( -0.016,  -0.001,  -0.020)  ( -0.014,  -0.000,  -0.018)  ( 0.00,  0.00,  0.00)
168:     bond    (  0.867,   0.313,   0.819)  (  0.869,   0.313,   0.821)  ( 0.15,  0.01,  0.12)
168:     angle   ( -3.775,   2.481,   3.047)  ( -3.775,   2.482,   3.047)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( -0.869,   0.249,   0.057)  ( -0.869,   0.249,   0.057)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.019,   0.079,  -0.051)  (  0.019,   0.079,  -0.051)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.742,  -3.123,  -3.893)  (  3.742,  -3.123,  -3.893)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 27       (  0.012,  -0.017,   0.007)  (  0.013,  -0.015,   0.008)  ( 0.00,  0.00,  0.00)
168:     bond    ( -0.401,   0.886,  -0.386)  ( -0.401,   0.889,  -0.385)  ( 0.02,  0.22,  0.02)
168:     angle   (  1.642,   1.513,   1.782)  (  1.642,   1.513,   1.783)  ( 0.02,  0.01,  0.03)
168:     strbnd  ( -0.174,   0.171,   0.708)  ( -0.174,   0.170,   0.708)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.590,  -0.296,  -0.070)  ( -0.590,  -0.296,  -0.070)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.465,  -2.291,  -2.028)  ( -0.465,  -2.291,  -2.028)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: ok 34 # gradients 
168: ok 35 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       ( 31.424,  -0.200,  18.228)  ( 31.429,  -0.198,  18.233)  ( 0.02,  0.05,  0.03)
168:     bond    ( 17.093,   4.746,  20.403)  ( 17.097,   4.747,  20.407)  ( 0.02,  0.02,  0.02)
168:     angle   ( 10.823,  -6.670,  -7.661)  ( 10.824,  -6.668,  -7.659)  ( 0.02,  0.03,  0.02)
168:     strbnd  ( -1.302,  -1.496,  -3.384)  ( -1.303,  -1.496,  -3.384)  ( 0.04,  0.04,  0.02)
168:     torsion ( -0.752,  -0.481,  -0.404)  ( -0.752,  -0.481,  -0.404)  ( 0.01,  0.01,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.697,   3.940,   6.118)  (  2.697,   3.940,   6.118)  ( 0.00,  0.00,  0.00)
168:     electro (  2.864,  -0.239,   3.155)  (  2.864,  -0.239,   3.155)  ( 0.00,  0.00,  0.00)
168:  2       (-36.010,   4.515,  17.051)  (-36.005,   4.520,  17.057)  ( 0.01,  0.12,  0.03)
168:     bond    (-27.113,  -0.560,   3.022)  (-27.109,  -0.556,   3.026)  ( 0.02,  0.22,  0.12)
168:     angle   (-10.986,   1.327,   1.389)  (-10.984,   1.329,   1.391)  ( 0.02,  0.14,  0.17)
168:     strbnd  (  6.026,   1.292,   2.785)  (  6.025,   1.291,   2.784)  ( 0.02,  0.04,  0.03)
168:     torsion (  0.387,   2.102,   1.063)  (  0.387,   2.103,   1.063)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.974,  -1.076,   6.259)  ( -5.974,  -1.076,   6.260)  ( 0.00,  0.00,  0.00)
168:     electro (  1.650,   1.429,   2.533)  (  1.650,   1.429,   2.533)  ( 0.00,  0.00,  0.00)
168:  3       (-11.045, -13.207,  11.272)  (-11.039, -13.201,  11.277)  ( 0.05,  0.04,  0.05)
168:     bond    ( -2.739,  -3.315,  12.969)  ( -2.735,  -3.311,  12.974)  ( 0.14,  0.12,  0.03)
168:     angle   (  0.437, -11.359,  -0.705)  (  0.439, -11.357,  -0.703)  ( 0.09,  0.02,  0.14)
168:     strbnd  (  1.387,   2.155,  -8.533)  (  1.387,   2.154,  -8.535)  ( 0.02,  0.03,  0.02)
168:     torsion ( -2.416,   1.078,   0.854)  ( -2.416,   1.078,   0.855)  ( 0.00,  0.01,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -6.807,  -1.527,   6.510)  ( -6.807,  -1.527,   6.510)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.907,  -0.238,   0.176)  ( -0.907,  -0.238,   0.176)  ( 0.00,  0.00,  0.00)
168:  4       ( -4.273,   7.522,  -3.211)  ( -4.268,   7.525,  -3.205)  ( 0.13,  0.04,  0.18)
168:     bond    (  0.949,  -2.282,   0.268)  (  0.953,  -2.280,   0.273)  ( 0.43,  0.06,  0.13)
168:     angle   (  0.591,  21.684,   6.844)  (  0.593,  21.686,   6.845)  ( 0.09,  0.01,  0.02)
168:     strbnd  (  1.406,  -5.851,  -0.013)  (  1.406,  -5.852,  -0.014)  ( 0.04,  0.01,  0.00)
168:     torsion (  0.184,  -1.989,  -0.339)  (  0.185,  -1.989,  -0.339)  ( 0.00,  0.01,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.463,  -3.294,  -7.182)  ( -5.463,  -3.294,  -7.182)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.941,  -0.746,  -2.788)  ( -1.941,  -0.746,  -2.788)  ( 0.00,  0.00,  0.00)
168:  5       ( 15.539,  -6.936, -11.710)  ( 15.544,  -6.931, -11.704)  ( 0.03,  0.08,  0.05)
168:     bond    ( 13.334,   0.629,  -1.309)  ( 13.339,   0.633,  -1.305)  ( 0.04,  0.25,  0.29)
168:     angle   (  2.816, -10.985,  -2.204)  (  2.818, -10.983,  -2.202)  ( 0.07,  0.02,  0.10)
168:     strbnd  ( -8.882,  -0.451,   0.327)  ( -8.883,  -0.452,   0.326)  ( 0.02,  0.02,  0.01)
168:     torsion (  0.798,   1.843,  -1.911)  (  0.798,   1.843,  -1.911)  ( 0.00,  0.01,  0.01)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  7.392,   1.990,  -5.711)  (  7.392,   1.990,  -5.711)  ( 0.00,  0.00,  0.00)
168:     electro (  0.082,   0.038,  -0.901)  (  0.082,   0.038,  -0.901)  ( 0.00,  0.00,  0.00)
168:  6       ( 19.460,  15.761, -31.866)  ( 19.465,  15.766, -31.861)  ( 0.03,  0.03,  0.02)
168:     bond    (  5.775,   7.666, -25.091)  (  5.778,   7.670, -25.086)  ( 0.07,  0.05,  0.02)
168:     angle   (  1.263,   4.370, -10.670)  (  1.265,   4.372, -10.668)  ( 0.18,  0.05,  0.02)
168:     strbnd  (  1.829,   0.313,   6.376)  (  1.828,   0.312,   6.375)  ( 0.03,  0.02,  0.02)
168:     torsion (  2.320,   0.305,   0.903)  (  2.321,   0.305,   0.903)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  7.013,   1.540,  -5.601)  (  7.013,   1.540,  -5.601)  ( 0.00,  0.00,  0.00)
168:     electro (  1.260,   1.567,   2.216)  (  1.260,   1.567,   2.216)  ( 0.00,  0.00,  0.00)
168:  7       ( -5.272,  -8.082,  -8.394)  ( -5.266,  -8.076,  -8.389)  ( 0.11,  0.07,  0.07)
168:     bond    ( -5.766,  -6.148,  -8.390)  ( -5.762,  -6.144,  -8.385)  ( 0.07,  0.07,  0.05)
168:     angle   ( -0.655,  -5.211,  -2.282)  ( -0.653,  -5.209,  -2.280)  ( 0.12,  0.03,  0.08)
168:     strbnd  (  5.025,   4.822,   7.145)  (  5.024,   4.821,   7.144)  ( 0.01,  0.02,  0.01)
168:     torsion (  0.524,  -0.894,   0.352)  (  0.524,  -0.894,   0.352)  ( 0.00,  0.01,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -4.384,  -0.621,  -5.255)  ( -4.383,  -0.621,  -5.255)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.016,  -0.029,   0.035)  ( -0.016,  -0.029,   0.035)  ( 0.00,  0.00,  0.00)
168:  8       (  1.728,  10.474,  24.887)  (  1.734,  10.474,  24.938)  ( 0.32,  0.00,  0.20)
168:     bond    ( 11.385, -12.341, -10.198)  ( 11.388, -12.332, -10.191)  ( 0.03,  0.07,  0.07)
168:     angle   (-32.172,  28.633,  36.543)  (-32.169,  28.635,  36.546)  ( 0.01,  0.01,  0.01)
168:     strbnd  ( 23.556,  -6.610,  -5.451)  ( 23.555,  -6.611,  -5.452)  ( 0.00,  0.02,  0.02)
168:     torsion (  0.338,  -1.851,   0.344)  (  0.338,  -1.851,   0.344)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.005,   0.056,  -0.231)  ( -0.004,   0.046,  -0.190)  ( 0.00,  0.06,  0.96)
168:     vdw     (  1.478,   1.254,   4.534)  (  1.478,   1.254,   4.535)  ( 0.01,  0.00,  0.00)
168:     electro ( -2.852,   1.333,  -0.654)  ( -2.852,   1.333,  -0.654)  ( 0.00,  0.00,  0.00)
168:  9       (  8.282, -17.496,  -4.338)  (  8.284, -17.494,  -4.331)  ( 0.02,  0.01,  0.14)
168:     bond    (  1.485,   1.600,  -4.386)  (  1.486,   1.600,  -4.380)  ( 0.05,  0.05,  0.14)
168:     angle   (  5.763, -17.078,  -4.285)  (  5.764, -17.078,  -4.285)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( -0.447,  -2.536,   3.420)  ( -0.447,  -2.536,   3.420)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.480,   0.079,   0.191)  (  0.480,   0.079,   0.191)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.856,   0.959,   2.952)  (  1.856,   0.959,   2.952)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.854,  -0.519,  -2.230)  ( -0.854,  -0.519,  -2.230)  ( 0.00,  0.00,  0.00)
168: 10       ( 12.548,   0.140, -14.985)  ( 12.549,   0.147, -14.984)  ( 0.01,  0.10,  0.01)
168:     bond    (  0.309,  -3.128,   0.485)  (  0.309,  -3.121,   0.485)  ( 0.00,  0.24,  0.01)
168:     angle   ( 15.756,  -0.811, -15.260)  ( 15.757,  -0.811, -15.259)  ( 0.00,  0.00,  0.01)
168:     strbnd  (  0.664,   2.939,  -1.490)  (  0.664,   2.939,  -1.490)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.106,  -0.157,  -0.307)  ( -1.106,  -0.157,  -0.307)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.387,   3.365,   2.847)  ( -2.387,   3.365,   2.847)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.689,  -2.068,  -1.261)  ( -0.689,  -2.068,  -1.261)  ( 0.00,  0.00,  0.00)
168: 11       (-10.575,  -8.846,  -5.661)  (-10.571,  -8.813,  -5.772)  ( 0.03,  0.38,  1.96)
168:     bond    ( -6.709,   1.922,   1.059)  ( -6.705,   1.927,   1.060)  ( 0.06,  0.26,  0.04)
168:     angle   ( 24.355, -15.184, -15.338)  ( 24.357, -15.182, -15.338)  ( 0.01,  0.01,  0.00)
168:     strbnd  (-18.936,   1.986,   0.297)  (-18.936,   1.986,   0.297)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.305,  -0.296,   4.647)  (  0.305,  -0.296,   4.648)  ( 0.00,  0.00,  0.02)
168:     oop     (  0.009,  -0.160,   0.679)  (  0.007,  -0.133,   0.566)  ( 0.00,  0.43,  7.65)
168:     vdw     ( -9.578,   2.904,   3.010)  ( -9.577,   2.904,   3.010)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.021,  -0.018,  -0.016)  ( -0.021,  -0.018,  -0.016)  ( 0.00,  0.00,  0.00)
168: 12       (-24.157,   0.640,  -1.425)  (-24.149,   0.633,  -1.363)  ( 0.03,  0.45,  4.37)
168:     bond    (  1.922,   0.917,   0.032)  (  1.927,   0.922,   0.032)  ( 0.28,  0.47,  0.00)
168:     angle   ( -9.984,   2.922,   1.064)  ( -9.983,   2.923,   1.065)  ( 0.02,  0.05,  0.01)
168:     strbnd  (-10.267,   7.335,   1.838)  (-10.267,   7.335,   1.838)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.034,   0.453,  -2.054)  ( -0.034,   0.453,  -2.053)  ( 0.00,  0.00,  0.06)
168:     oop     ( -0.004,   0.086,  -0.378)  ( -0.003,   0.072,  -0.317)  ( 0.00,  0.12,  2.29)
168:     vdw     ( -6.756, -10.594,  -1.657)  ( -6.755, -10.594,  -1.657)  ( 0.00,  0.00,  0.00)
168:     electro (  0.966,  -0.478,  -0.270)  (  0.966,  -0.478,  -0.270)  ( 0.00,  0.00,  0.00)
168: 13       (  9.671, -18.090,  -9.125)  (  9.679, -18.096,  -9.073)  ( 0.08,  0.03,  0.57)
168:     bond    (  3.557,   7.206,   1.481)  (  3.562,   7.211,   1.482)  ( 0.15,  0.07,  0.03)
168:     angle   (  3.498, -21.802,  -5.738)  (  3.500, -21.801,  -5.738)  ( 0.04,  0.01,  0.00)
168:     strbnd  ( 11.124,   5.598,   1.224)  ( 11.124,   5.598,   1.224)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.010,   0.214,  -0.783)  ( -0.010,   0.214,  -0.782)  ( 0.00,  0.00,  0.10)
168:     oop     ( -0.007,   0.075,  -0.292)  ( -0.006,   0.062,  -0.242)  ( 0.00,  0.09,  1.46)
168:     vdw     ( -8.946,  -9.231,  -4.972)  ( -8.946,  -9.231,  -4.972)  ( 0.00,  0.00,  0.00)
168:     electro (  0.455,  -0.149,  -0.044)  (  0.455,  -0.149,  -0.044)  ( 0.00,  0.00,  0.00)
168: 14       (-13.663,  -2.396,   4.950)  (-13.657,  -2.371,   4.880)  ( 0.04,  1.04,  1.41)
168:     bond    (-26.978,  13.126,   4.300)  (-26.972,  13.131,   4.300)  ( 0.02,  0.03,  0.01)
168:     angle   (-18.118,  -9.493,   4.254)  (-18.116,  -9.491,   4.254)  ( 0.01,  0.02,  0.00)
168:     strbnd  ( 29.827,  -3.579,  -1.396)  ( 29.826,  -3.579,  -1.395)  ( 0.00,  0.00,  0.01)
168:     torsion ( -0.134,  -1.037,   2.744)  ( -0.134,  -1.037,   2.746)  ( 0.00,  0.01,  0.04)
168:     oop     (  0.011,  -0.106,   0.410)  (  0.009,  -0.087,   0.339)  ( 0.00,  0.20,  2.94)
168:     vdw     (  1.699,  -1.418,  -5.301)  (  1.699,  -1.418,  -5.301)  ( 0.01,  0.01,  0.00)
168:     electro (  0.030,   0.111,  -0.061)  (  0.030,   0.111,  -0.061)  ( 0.00,  0.00,  0.00)
168: 15       ( 13.797, -14.175,  -4.609)  ( 13.759, -14.176,  -4.431)  ( 0.28,  0.01,  3.87)
168:     bond    ( -5.136, -10.558,  -3.032)  ( -5.131, -10.553,  -3.032)  ( 0.09,  0.04,  0.02)
168:     angle   (  2.758, -11.175,   3.017)  (  2.760, -11.174,   3.017)  ( 0.07,  0.02,  0.00)
168:     strbnd  (  9.858,  -2.806,  -1.156)  (  9.859,  -2.806,  -1.156)  ( 0.00,  0.00,  0.01)
168:     torsion ( -0.006,   0.855,  -3.398)  ( -0.006,   0.855,  -3.397)  ( 0.00,  0.01,  0.04)
168:     oop     (  0.274,   0.043,  -1.066)  (  0.229,   0.036,  -0.889)  ( 1.23,  0.03, 16.55)
168:     vdw     (  6.480,   9.337,   1.077)  (  6.480,   9.337,   1.077)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.432,   0.129,  -0.052)  ( -0.432,   0.129,  -0.052)  ( 0.00,  0.00,  0.00)
168: 16       (-18.628,  20.328,   6.654)  (-18.621,  20.351,   6.601)  ( 0.04,  0.11,  0.80)
168:     bond    (  8.237,  -4.438,  -0.410)  (  8.242,  -4.433,  -0.410)  ( 0.06,  0.11,  0.02)
168:     angle   (-15.113,  19.214,   5.231)  (-15.111,  19.215,   5.231)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -4.665,  -2.331,  -0.554)  ( -4.666,  -2.331,  -0.554)  ( 0.00,  0.01,  0.00)
168:     torsion (  0.007,   0.399,  -1.363)  (  0.007,   0.399,  -1.362)  ( 0.00,  0.00,  0.09)
168:     oop     ( -0.002,  -0.093,   0.333)  ( -0.001,  -0.078,   0.278)  ( 0.00,  0.14,  1.84)
168:     vdw     ( -7.680,   8.051,   3.527)  ( -7.680,   8.051,   3.527)  ( 0.00,  0.00,  0.00)
168:     electro (  0.588,  -0.473,  -0.110)  (  0.588,  -0.473,  -0.110)  ( 0.00,  0.00,  0.00)
168: 17       ( -6.589,  20.521,   5.019)  ( -6.584,  20.520,   5.042)  ( 0.08,  0.00,  0.45)
168:     bond    (  2.115,   1.161,  -0.091)  (  2.119,   1.164,  -0.091)  ( 0.20,  0.31,  0.00)
168:     angle   ( 25.721,  28.686,   2.043)  ( 25.721,  28.687,   2.043)  ( 0.00,  0.00,  0.01)
168:     strbnd  (-34.795,  -0.918,   2.926)  (-34.795,  -0.918,   2.926)  ( 0.00,  0.00,  0.01)
168:     torsion (  0.088,  -0.609,   5.097)  (  0.088,  -0.609,   5.098)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.003,   0.029,  -0.113)  ( -0.002,   0.024,  -0.092)  ( 0.00,  0.02,  0.25)
200/208 Test #170: test_ffuff_1 .....................   Passed    2.52 sec
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164:     vdw     (  0.333,  -8.190,  -5.814)  (  0.333,  -8.190,  -5.813)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.192,   1.450,   3.884)  ( -0.192,   1.450,   3.884)  ( 0.00,  0.00,  0.00)
164: 18       (  5.790, -10.626,  -8.101)  (  5.796, -10.620,  -8.095)  ( 0.10,  0.05,  0.07)
164:     bond    (  8.725, -11.934,  -3.140)  (  8.729, -11.929,  -3.136)  ( 0.04,  0.04,  0.13)
164:     angle   ( -9.764,  -7.159,  -6.067)  ( -9.762,  -7.157,  -6.065)  ( 0.02,  0.03,  0.03)
164:     strbnd  ( -5.015,  10.337,   3.735)  ( -5.015,  10.336,   3.735)  ( 0.00,  0.02,  0.02)
164:     torsion ( -0.197,   1.065,  -2.228)  ( -0.197,   1.065,  -2.228)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 10.854,  -1.808,   0.220)  ( 10.854,  -1.808,   0.220)  ( 0.00,  0.00,  0.00)
164:     electro (  1.186,  -1.127,  -0.621)  (  1.186,  -1.127,  -0.621)  ( 0.00,  0.00,  0.00)
164: 19       (  3.262, -11.126,   7.782)  (  3.268, -11.121,   7.787)  ( 0.17,  0.05,  0.06)
164:     bond    (  1.121,  -2.081,   3.281)  (  1.125,  -2.077,   3.285)  ( 0.37,  0.19,  0.12)
164:     angle   ( -4.420,  -2.772,   7.469)  ( -4.418,  -2.771,   7.471)  ( 0.04,  0.06,  0.02)
164:     strbnd  (  0.275,   1.768,  -3.446)  (  0.274,   1.768,  -3.447)  ( 0.01,  0.03,  0.03)
164:     torsion (  2.173,  -4.215,  -2.094)  (  2.173,  -4.215,  -2.094)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.113,  -3.826,   2.573)  (  4.113,  -3.826,   2.573)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 20       ( -7.022,  36.733,  -5.283)  ( -6.843,  36.719,  -5.733)  ( 2.56,  0.04,  8.53)
164:     bond    (-25.048,  -5.303,  -9.231)  (-25.043,  -5.295,  -9.230)  ( 0.02,  0.16,  0.01)
164:     angle   ( 27.154,  45.020,   3.962)  ( 27.157,  45.022,   3.962)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -8.325,   2.343,  -3.287)  ( -8.326,   2.342,  -3.287)  ( 0.01,  0.03,  0.00)
164:     torsion ( -0.784,   0.421,   0.853)  ( -0.784,   0.421,   0.855)  ( 0.01,  0.00,  0.10)
164:     oop     ( -1.005,   0.148,   2.652)  ( -0.833,   0.123,   2.200)  (17.14,  0.37, 17.06)
164:     vdw     ( -7.531,  -5.686,  -2.010)  ( -7.531,  -5.686,  -2.010)  ( 0.00,  0.00,  0.00)
164:     electro (  8.518,  -0.209,   1.778)  (  8.518,  -0.209,   1.778)  ( 0.00,  0.00,  0.00)
164: 21       (-22.969,  25.239, -11.051)  (-22.997,  25.251, -10.962)  ( 0.12,  0.05,  0.80)
164:     bond    (  1.411,  -0.192,   0.529)  (  1.413,  -0.184,   0.530)  ( 0.16,  0.16,  0.02)
164:     angle   (-46.884,  20.267, -18.839)  (-46.882,  20.268, -18.839)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( 12.752,   3.510,   4.513)  ( 12.751,   3.510,   4.513)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.598,   0.098,   1.696)  ( -0.597,   0.098,   1.697)  ( 0.01,  0.00,  0.05)
164:     oop     (  0.246,  -0.028,  -0.654)  (  0.213,  -0.025,  -0.567)  ( 0.80,  0.01,  5.70)
164:     vdw     (  4.514,   7.067,  -1.941)  (  4.514,   7.067,  -1.941)  ( 0.00,  0.00,  0.00)
164:     electro (  5.590,  -5.484,   3.645)  (  5.590,  -5.484,   3.645)  ( 0.00,  0.00,  0.00)
164: 22       ( 25.973,  -4.939,  11.390)  ( 25.954,  -4.927,  11.463)  ( 0.08,  0.25,  0.64)
164:     bond    (  5.877,  -7.278,   2.737)  (  5.883,  -7.273,   2.738)  ( 0.10,  0.07,  0.03)
164:     angle   ( 43.794,  -7.031,  17.104)  ( 43.796,  -7.028,  17.104)  ( 0.00,  0.03,  0.00)
164:     strbnd  (-22.680,  -3.722,  -8.477)  (-22.681,  -3.722,  -8.477)  ( 0.00,  0.01,  0.00)
164:     torsion (  0.130,  -0.036,  -0.336)  (  0.130,  -0.036,  -0.335)  ( 0.00,  0.00,  0.04)
164:     oop     (  0.109,  -0.020,  -0.288)  (  0.082,  -0.015,  -0.218)  ( 0.29,  0.01,  2.03)
164:     vdw     ( -2.056,  15.026,   0.263)  ( -2.056,  15.026,   0.263)  ( 0.00,  0.00,  0.00)
164:     electro (  0.800,  -1.878,   0.388)  (  0.800,  -1.878,   0.388)  ( 0.00,  0.00,  0.00)
164: 23       (-28.137, -37.839,  -8.334)  (-28.148, -37.828,  -8.283)  ( 0.04,  0.03,  0.61)
164:     bond    ( -0.604, -30.983,   1.773)  ( -0.599, -30.977,   1.774)  ( 0.32,  0.02,  0.05)
164:     angle   (-36.863, -14.117, -12.692)  (-36.861, -14.115, -12.691)  ( 0.01,  0.01,  0.00)
164:     strbnd  (  7.549,   3.290,   2.655)  (  7.548,   3.290,   2.655)  ( 0.01,  0.03,  0.01)
164:     torsion (  0.142,  -0.020,  -0.374)  (  0.142,  -0.020,  -0.373)  ( 0.00,  0.00,  0.04)
164:     oop     (  0.061,  -0.009,  -0.157)  (  0.042,  -0.006,  -0.109)  ( 0.11,  0.00,  0.76)
164:     vdw     (  4.758,   7.545,   1.424)  (  4.758,   7.546,   1.424)  ( 0.00,  0.00,  0.00)
164:     electro ( -3.179,  -3.546,  -0.964)  ( -3.179,  -3.546,  -0.964)  ( 0.00,  0.00,  0.00)
164: 24       (-10.794,  46.348,  -6.929)  (-10.714,  46.344,  -7.100)  ( 0.74,  0.01,  2.47)
164:     bond    ( -7.128,  36.476,  -5.032)  ( -7.118,  36.481,  -5.030)  ( 0.14,  0.02,  0.03)
164:     angle   (  3.045,   5.260,   0.441)  (  3.047,   5.262,   0.441)  ( 0.07,  0.05,  0.02)
164:     strbnd  (  3.284,   4.936,   0.917)  (  3.283,   4.934,   0.917)  ( 0.03,  0.02,  0.03)
164:     torsion ( -0.021,  -0.004,   0.079)  ( -0.021,  -0.004,   0.080)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.326,   0.056,   0.831)  ( -0.258,   0.044,   0.657)  ( 2.23,  0.06, 14.42)
164:     vdw     (  3.476,  -4.869,   1.621)  (  3.476,  -4.869,   1.621)  ( 0.00,  0.00,  0.00)
164:     electro (-13.123,   4.494,  -5.786)  (-13.123,   4.494,  -5.786)  ( 0.00,  0.00,  0.00)
164: 25       (  3.373, -52.861,   6.703)  (  3.261, -52.831,   7.013)  ( 3.32,  0.06,  4.61)
164:     bond    (  8.283,   2.133,   2.726)  (  8.290,   2.140,   2.727)  ( 0.08,  0.31,  0.03)
164:     angle   ( -6.422, -45.385,   1.001)  ( -6.420, -45.383,   1.001)  ( 0.02,  0.01,  0.03)
164:     strbnd  (-10.186,  -7.939,  -3.501)  (-10.187,  -7.938,  -3.501)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.679,  -0.052,  -1.804)  (  0.679,  -0.052,  -1.802)  ( 0.01,  0.00,  0.06)
164:     oop     (  0.701,  -0.126,  -1.797)  (  0.581,  -0.105,  -1.490)  ( 8.39,  0.25, 17.08)
164:     vdw     (  8.959,  -7.735,   8.017)  (  8.959,  -7.735,   8.017)  ( 0.00,  0.01,  0.00)
164:     electro (  1.360,   6.242,   2.061)  (  1.360,   6.242,   2.061)  ( 0.00,  0.00,  0.00)
164: 26       (-24.717, -18.946,  -4.036)  (-24.728, -18.935,  -3.986)  ( 0.04,  0.06,  1.24)
164:     bond    (-24.696,   9.518, -10.388)  (-24.690,   9.523, -10.387)  ( 0.03,  0.05,  0.01)
164:     angle   ( -7.991, -22.014,  -4.231)  ( -7.989, -22.012,  -4.230)  ( 0.02,  0.01,  0.01)
164:     strbnd  (  7.348,  -6.906,   2.805)  (  7.348,  -6.906,   2.805)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.081,  -0.067,  -0.270)  (  0.081,  -0.067,  -0.270)  ( 0.00,  0.00,  0.02)
164:     oop     (  0.110,  -0.023,  -0.279)  (  0.091,  -0.019,  -0.231)  ( 0.20,  0.01,  1.33)
164:     vdw     (  0.759,  -0.386,   8.493)  (  0.759,  -0.386,   8.493)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.328,   0.932,  -0.167)  ( -0.328,   0.932,  -0.167)  ( 0.00,  0.00,  0.00)
164: 27       ( 43.032,  25.104,  14.730)  ( 43.049,  25.107,  14.703)  ( 0.04,  0.01,  0.19)
164:     bond    ( 18.803,  -4.833,   7.511)  ( 18.809,  -4.830,   7.512)  ( 0.03,  0.06,  0.01)
164:     angle   ( 18.124,  40.689,   3.688)  ( 18.124,  40.692,   3.688)  ( 0.00,  0.01,  0.00)
164:     strbnd  (  3.463, -10.759,   2.073)  (  3.463, -10.760,   2.073)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.026,  -0.003,  -0.071)  (  0.026,  -0.003,  -0.071)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.076,   0.016,   0.200)  ( -0.065,   0.014,   0.171)  ( 0.09,  0.00,  0.58)
164:     vdw     (  0.932,  -1.439,   0.904)  (  0.932,  -1.439,   0.904)  ( 0.01,  0.00,  0.00)
164:     electro (  1.760,   1.432,   0.427)  (  1.760,   1.432,   0.427)  ( 0.00,  0.00,  0.00)
164: 28       ( 11.894, -38.621,   7.172)  ( 11.897, -38.613,   7.186)  ( 0.02,  0.02,  0.20)
164:     bond    ( 10.457,  12.301,   2.949)  ( 10.462,  12.307,   2.950)  ( 0.05,  0.05,  0.03)
164:     angle   ( -9.168, -55.992,   0.592)  ( -9.166, -55.990,   0.592)  ( 0.03,  0.00,  0.03)
164:     strbnd  ( 10.254,   8.892,   3.121)  ( 10.253,   8.891,   3.121)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.078,   0.016,   0.208)  ( -0.078,   0.016,   0.209)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.033,  -0.007,  -0.088)  (  0.029,  -0.006,  -0.076)  ( 0.02,  0.00,  0.11)
164:     vdw     (  0.152,   1.397,  -0.108)  (  0.152,   1.397,  -0.108)  ( 0.00,  0.00,  0.00)
164:     electro (  0.245,  -5.228,   0.497)  (  0.245,  -5.228,   0.497)  ( 0.00,  0.00,  0.00)
164: 29       ( 12.404,   3.421,   4.782)  ( 12.393,   3.426,   4.831)  ( 0.09,  0.14,  1.01)
164:     bond    (  4.738,  -2.006,   1.986)  (  4.745,  -2.005,   1.987)  ( 0.15,  0.06,  0.06)
164:     angle   (  4.344,  11.246,   0.976)  (  4.344,  11.247,   0.976)  ( 0.00,  0.01,  0.00)
164:     strbnd  (  8.204,  -1.157,   3.293)  (  8.204,  -1.157,   3.293)  ( 0.00,  0.02,  0.00)
164:     torsion ( -0.055,   0.010,   0.143)  ( -0.055,   0.010,   0.143)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.076,  -0.012,  -0.195)  (  0.058,  -0.009,  -0.148)  ( 0.14,  0.00,  0.91)
164:     vdw     ( -0.237,  -3.506,   0.148)  ( -0.237,  -3.506,   0.148)  ( 0.00,  0.00,  0.00)
164:     electro ( -4.665,  -1.154,  -1.568)  ( -4.665,  -1.154,  -1.568)  ( 0.00,  0.00,  0.00)
164: 30       ( -0.901,  29.900,  -2.380)  ( -0.892,  29.905,  -2.388)  ( 0.85,  0.02,  0.32)
164:     bond    ( -4.277,   0.277,  -1.598)  ( -4.272,   0.282,  -1.594)  ( 0.12,  0.12,  0.27)
164:     angle   ( 12.189,  27.647,   2.441)  ( 12.190,  27.649,   2.443)  ( 0.02,  0.01,  0.06)
164:     strbnd  (-12.899,  -0.004,  -4.802)  (-12.901,  -0.005,  -4.803)  ( 0.02,  0.00,  0.01)
164:     torsion ( -0.029,  -0.010,   0.078)  ( -0.029,  -0.010,   0.078)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.021,   0.004,   0.055)  ( -0.016,   0.003,   0.042)  ( 0.01,  0.00,  0.07)
164:     vdw     (  2.572,   3.686,   0.693)  (  2.572,   3.686,   0.693)  ( 0.00,  0.00,  0.00)
164:     electro (  1.563,  -1.700,   0.754)  (  1.563,  -1.700,   0.754)  ( 0.00,  0.00,  0.00)
164: 31       ( -2.541,  -1.390,   5.410)  ( -2.521,  -1.388,   5.379)  ( 0.76,  0.19,  0.57)
164:     bond    (  2.316,  -1.013,   0.462)  (  2.320,  -1.009,   0.466)  ( 0.17,  0.39,  0.18)
164:     angle   ( -1.033,  -3.283,   3.719)  ( -1.030,  -3.281,   3.721)  ( 0.20,  0.06,  0.05)
164:     strbnd  ( -1.912,   0.920,  -0.790)  ( -1.913,   0.919,  -0.791)  ( 0.04,  0.06,  0.08)
164:     torsion ( -0.089,   0.197,   0.525)  ( -0.089,   0.197,   0.525)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.059,   0.012,   0.150)  ( -0.045,   0.010,   0.114)  ( 0.08,  0.00,  0.53)
164:     vdw     ( -0.575,   2.524,   1.662)  ( -0.575,   2.524,   1.662)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.188,  -0.749,  -0.319)  ( -1.188,  -0.749,  -0.319)  ( 0.00,  0.00,  0.00)
164: 32       ( -0.533,   9.885,  -5.279)  ( -0.528,   9.891,  -5.275)  ( 0.30,  0.05,  0.09)
164:     bond    ( -0.397,   0.967,   0.156)  ( -0.393,   0.971,   0.160)  ( 0.16,  0.37,  0.06)
164:     angle   (  1.310,   8.321,  -3.491)  (  1.312,   8.323,  -3.489)  ( 0.14,  0.02,  0.06)
164:     strbnd  (  0.932,  -1.664,  -0.673)  (  0.932,  -1.665,  -0.674)  ( 0.03,  0.04,  0.07)
164:     torsion ( -1.283,   1.507,   0.186)  ( -1.282,   1.508,   0.186)  ( 0.01,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.096,   0.754,  -1.457)  ( -1.096,   0.754,  -1.457)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 33       ( -0.762,  -6.186,  -6.819)  ( -0.756,  -6.181,  -6.814)  ( 0.42,  0.08,  0.08)
164:     bond    ( -0.257,   0.740,  -0.064)  ( -0.253,   0.744,  -0.060)  ( 0.11,  0.30,  0.03)
164:     angle   ( -0.057,  -7.999,  -0.743)  ( -0.055,  -7.998,  -0.742)  ( 0.01,  0.02,  0.13)
164:     strbnd  ( -0.135,   0.372,   0.957)  ( -0.135,   0.371,   0.957)  ( 0.01,  0.03,  0.07)
164:     torsion (  0.594,   0.454,  -0.563)  (  0.594,   0.454,  -0.563)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.907,   0.247,  -6.406)  ( -0.907,   0.247,  -6.406)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 34       (  3.845, -11.220,   1.372)  (  3.846, -11.218,   1.373)  ( 0.03,  0.02,  0.05)
164:     bond    (  5.169, -14.116,   0.695)  (  5.169, -14.113,   0.695)  ( 0.01,  0.02,  0.01)
164:     angle   (  3.342,   1.196,  -0.586)  (  3.343,   1.196,  -0.585)  ( 0.02,  0.01,  0.03)
164:     strbnd  ( -1.346,  -0.265,  -0.102)  ( -1.346,  -0.265,  -0.102)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.449,   0.094,  -1.417)  (  0.449,   0.094,  -1.417)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.769,   1.870,   2.782)  ( -3.769,   1.870,   2.782)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 35       (  3.186,   4.348, -12.560)  (  3.187,   4.349, -12.557)  ( 0.03,  0.02,  0.02)
164:     bond    (  3.564,   5.536, -13.771)  (  3.564,   5.537, -13.769)  ( 0.01,  0.01,  0.02)
164:     angle   (  4.272,   0.896,   1.466)  (  4.273,   0.896,   1.466)  ( 0.01,  0.04,  0.01)
164:     strbnd  ( -1.404,  -0.280,   0.081)  ( -1.404,  -0.280,   0.081)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.176,  -0.765,  -0.353)  ( -0.176,  -0.765,  -0.353)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.070,  -1.039,   0.017)  ( -3.070,  -1.039,   0.017)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 36       ( 12.939,  -0.809,   0.266)  ( 12.942,  -0.808,   0.266)  ( 0.02,  0.05,  0.02)
164:     bond    ( 14.948,  -0.872,  -2.186)  ( 14.951,  -0.871,  -2.186)  ( 0.02,  0.01,  0.01)
164:     angle   ( -0.194,  -0.295,  -1.209)  ( -0.194,  -0.294,  -1.209)  ( 0.00,  0.01,  0.05)
164:     strbnd  ( -0.620,   0.104,   0.833)  ( -0.620,   0.104,   0.833)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.055,   0.235,   0.284)  (  0.055,   0.235,   0.284)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.250,   0.018,   2.544)  ( -1.250,   0.018,   2.544)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 37       ( -3.970,  10.635,   0.243)  ( -3.969,  10.638,   0.244)  ( 0.02,  0.03,  0.02)
164:     bond    ( -3.964,  14.301,  -1.740)  ( -3.964,  14.304,  -1.740)  ( 0.01,  0.02,  0.01)
164:     angle   (  0.591,  -0.040,  -1.679)  (  0.592,  -0.040,  -1.678)  ( 0.03,  0.00,  0.03)
164:     strbnd  (  0.204,  -0.463,   0.799)  (  0.204,  -0.463,   0.799)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.285,   0.262,  -0.775)  (  1.285,   0.262,  -0.775)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.086,  -3.424,   3.639)  ( -2.086,  -3.424,   3.639)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 38       ( -0.865,  -4.190,  12.257)  ( -0.865,  -4.189,  12.259)  ( 0.07,  0.02,  0.02)
164:     bond    ( -3.389,  -5.369,  13.737)  ( -3.388,  -5.369,  13.739)  ( 0.01,  0.01,  0.02)
164:     angle   ( -1.029,  -0.520,  -0.457)  ( -1.029,  -0.520,  -0.457)  ( 0.05,  0.02,  0.00)
164:     strbnd  (  0.813,   0.452,  -0.424)  (  0.813,   0.452,  -0.424)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.168,   0.305,   0.160)  (  0.168,   0.305,   0.160)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.572,   0.942,  -0.759)  (  2.572,   0.942,  -0.759)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 39       ( -2.366,  11.043,  -1.302)  ( -2.365,  11.045,  -1.301)  ( 0.04,  0.02,  0.05)
164:     bond    ( -5.175,  13.998,  -0.756)  ( -5.174,  14.001,  -0.756)  ( 0.01,  0.02,  0.01)
164:     angle   ( -1.747,  -0.629,   0.301)  ( -1.746,  -0.629,   0.301)  ( 0.03,  0.00,  0.01)
164:     strbnd  (  0.846,  -0.285,   0.215)  (  0.846,  -0.285,   0.215)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.933,  -0.284,   1.129)  ( -0.933,  -0.284,   1.129)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.643,  -1.758,  -2.190)  (  4.643,  -1.758,  -2.190)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 40       (-14.084,   0.166,   1.101)  (-14.081,   0.167,   1.102)  ( 0.02,  0.01,  0.07)
164:     bond    (-15.161,   0.766,   2.378)  (-15.158,   0.766,   2.378)  ( 0.02,  0.01,  0.01)
164:     angle   (  0.632,  -0.293,   4.123)  (  0.632,  -0.293,   4.124)  ( 0.00,  0.01,  0.01)
164:     strbnd  (  0.268,   0.146,  -1.361)  (  0.268,   0.146,  -1.361)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.102,  -0.786,  -0.394)  ( -0.102,  -0.786,  -0.394)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.279,   0.334,  -3.644)  (  0.280,   0.334,  -3.644)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 41       (  4.171, -11.140,   1.325)  (  4.172, -11.137,   1.325)  ( 0.02,  0.02,  0.06)
164:     bond    (  4.150, -14.362,   1.795)  (  4.150, -14.360,   1.795)  ( 0.01,  0.02,  0.01)
164:     angle   ( -1.040,   0.213,   4.111)  ( -1.039,   0.213,   4.111)  ( 0.04,  0.00,  0.01)
164:     strbnd  (  0.104,   0.125,  -1.337)  (  0.104,   0.125,  -1.337)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.377,  -0.373,   0.198)  ( -1.377,  -0.373,   0.198)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.335,   3.257,  -3.441)  (  2.335,   3.257,  -3.441)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 42       ( -4.567,  10.654,  -2.215)  ( -4.567,  10.656,  -2.215)  ( 0.02,  0.03,  0.03)
164:     bond    ( -3.731,  13.029,  -0.572)  ( -3.730,  13.032,  -0.572)  ( 0.01,  0.02,  0.00)
164:     angle   (  1.346,   0.459,   1.669)  (  1.346,   0.459,   1.669)  ( 0.03,  0.00,  0.03)
164:     strbnd  ( -0.246,  -0.135,  -0.322)  ( -0.246,  -0.135,  -0.322)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.006,  -0.001,   0.005)  ( -0.006,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.931,  -2.698,  -2.995)  ( -1.931,  -2.698,  -2.995)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 43       ( 11.621,  -1.350,  -2.700)  ( 11.624,  -1.349,  -2.700)  ( 0.03,  0.04,  0.02)
164:     bond    ( 13.434,  -0.728,  -1.655)  ( 13.437,  -0.728,  -1.655)  ( 0.02,  0.01,  0.01)
164:     angle   (  0.239,  -0.414,   2.123)  (  0.239,  -0.413,   2.123)  ( 0.00,  0.02,  0.02)
164:     strbnd  ( -0.632,  -0.208,  -0.263)  ( -0.633,  -0.208,  -0.263)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.014,   0.348,  -0.265)  ( -0.014,   0.348,  -0.265)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.406,  -0.348,  -2.640)  ( -1.406,  -0.348,  -2.640)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 44       ( -3.360,  -5.091,  10.354)  ( -3.359,  -5.090,  10.356)  ( 0.02,  0.02,  0.03)
164:     bond    ( -2.735,  -4.743,  12.407)  ( -2.734,  -4.742,  12.410)  ( 0.01,  0.01,  0.02)
164:     angle   (  2.115,   0.037,   0.480)  (  2.115,   0.037,   0.480)  ( 0.02,  0.00,  0.00)
164:     strbnd  ( -0.131,  -0.084,  -0.698)  ( -0.131,  -0.084,  -0.698)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.336,   0.257,   0.024)  ( -0.336,   0.257,   0.024)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.272,  -0.558,  -1.860)  ( -2.272,  -0.558,  -1.860)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 45       (  6.016,   7.613,   2.296)  (  6.018,   7.618,   2.287)  ( 0.03,  0.06,  0.41)
164:     bond    (  9.306,   9.280,   2.085)  (  9.308,   9.282,   2.085)  ( 0.02,  0.02,  0.01)
164:     angle   ( -0.825,   0.781,   0.202)  ( -0.825,   0.782,   0.202)  ( 0.03,  0.02,  0.00)
164:     strbnd  ( -0.536,  -0.577,  -0.147)  ( -0.536,  -0.577,  -0.147)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.003,   0.038,  -0.155)  ( -0.003,   0.038,  -0.155)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.001,  -0.014,   0.060)  (  0.001,  -0.012,   0.050)  ( 0.00,  0.00,  0.06)
164:     vdw     (  0.608,  -1.936,  -0.168)  (  0.608,  -1.936,  -0.168)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.535,   0.041,   0.419)  ( -2.535,   0.041,   0.419)  ( 0.00,  0.00,  0.00)
164: 46       ( -0.787,   8.785,   2.088)  ( -0.787,   8.791,   2.076)  ( 0.06,  0.07,  0.60)
164:     bond    ( -2.236,  11.174,   2.917)  ( -2.236,  11.177,   2.918)  ( 0.01,  0.03,  0.01)
164:     angle   (  7.037,   1.340,   0.260)  (  7.038,   1.340,   0.260)  ( 0.01,  0.00,  0.00)
164:     strbnd  (  0.866,  -2.736,  -0.746)  (  0.866,  -2.736,  -0.746)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.005,  -0.155,   0.595)  (  0.005,  -0.155,   0.596)  ( 0.00,  0.00,  0.02)
164:     oop     (  0.002,  -0.022,   0.087)  (  0.001,  -0.019,   0.074)  ( 0.00,  0.01,  0.11)
164:     vdw     ( -6.676,  -0.740,  -0.917)  ( -6.676,  -0.740,  -0.917)  ( 0.00,  0.00,  0.00)
164:     electro (  0.216,  -0.076,  -0.108)  (  0.216,  -0.076,  -0.108)  ( 0.00,  0.00,  0.00)
164: 47       (  3.539,  -5.729,  -2.999)  (  3.540,  -5.736,  -2.962)  ( 0.03,  0.12,  1.22)
164:     bond    (  3.394, -11.784,  -3.276)  (  3.394, -11.781,  -3.275)  ( 0.01,  0.03,  0.01)
164:     angle   (  2.930,   0.813,   0.113)  (  2.931,   0.813,   0.113)  ( 0.02,  0.00,  0.00)
164:     strbnd  ( -0.210,   2.122,   0.663)  ( -0.210,   2.122,   0.663)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.017,   0.295,  -1.081)  ( -0.017,   0.295,  -1.080)  ( 0.00,  0.00,  0.03)
164:     oop     ( -0.001,   0.065,  -0.234)  ( -0.001,   0.055,  -0.198)  ( 0.00,  0.06,  0.85)
164:     vdw     ( -3.105,   0.175,   0.934)  ( -3.105,   0.175,   0.934)  ( 0.01,  0.00,  0.00)
164:     electro (  0.548,   2.584,  -0.118)  (  0.548,   2.584,  -0.118)  ( 0.00,  0.00,  0.00)
164: 48       (-12.816,  -1.854,   2.520)  (-12.814,  -1.854,   2.521)  ( 0.02,  0.04,  0.03)
164:     bond    (-14.576,  -0.381,   3.434)  (-14.573,  -0.381,   3.434)  ( 0.02,  0.00,  0.01)
164:     angle   (  0.009,  -1.112,  -0.086)  (  0.009,  -1.111,  -0.085)  ( 0.00,  0.06,  0.00)
164:     strbnd  (  1.318,  -0.737,  -0.196)  (  1.318,  -0.737,  -0.196)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.019,   0.024,   0.082)  (  0.019,   0.024,   0.082)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.413,   0.351,  -0.714)  (  0.413,   0.351,  -0.714)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 49       (  5.085,   1.582,   9.404)  (  5.086,   1.583,   9.406)  ( 0.02,  0.07,  0.02)
164:     bond    (  5.282,   5.246,   8.963)  (  5.283,   5.247,   8.965)  ( 0.01,  0.01,  0.02)
164:     angle   ( -6.276,   0.410,   3.458)  ( -6.276,   0.410,   3.458)  ( 0.01,  0.02,  0.01)
164:     strbnd  (  0.301,  -0.757,   0.046)  (  0.301,  -0.757,   0.046)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.066,   0.065,   0.001)  ( -0.066,   0.065,   0.001)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.844,  -3.382,  -3.063)  (  5.844,  -3.382,  -3.063)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 50       ( -4.133,  12.029,  -0.342)  ( -4.132,  12.031,  -0.341)  ( 0.02,  0.02,  0.02)
164:     bond    ( -5.002,  12.797,   0.970)  ( -5.002,  12.800,   0.970)  ( 0.01,  0.02,  0.01)
164:     angle   (  0.821,   0.446,  -1.651)  (  0.821,   0.446,  -1.650)  ( 0.03,  0.00,  0.03)
164:     strbnd  (  0.347,  -0.722,  -0.122)  (  0.347,  -0.722,  -0.122)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.174,  -0.064,  -0.056)  ( -0.174,  -0.064,  -0.056)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.125,  -0.429,   0.516)  ( -0.125,  -0.429,   0.516)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 51       ( 12.057,   2.405,  -2.800)  ( 12.060,   2.406,  -2.799)  ( 0.02,  0.02,  0.03)
164:     bond    ( 11.866,   0.949,  -3.585)  ( 11.869,   0.949,  -3.584)  ( 0.02,  0.01,  0.01)
166:     vdw     (  0.333,  -8.190,  -5.814)  (  0.333,  -8.190,  -5.813)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.192,   1.450,   3.884)  ( -0.192,   1.450,   3.884)  ( 0.00,  0.00,  0.00)
166: 18       (  5.790, -10.626,  -8.101)  (  5.796, -10.620,  -8.095)  ( 0.10,  0.05,  0.07)
166:     bond    (  8.725, -11.934,  -3.140)  (  8.729, -11.929,  -3.136)  ( 0.04,  0.04,  0.13)
166:     angle   ( -9.764,  -7.159,  -6.067)  ( -9.762,  -7.157,  -6.065)  ( 0.02,  0.03,  0.03)
166:     strbnd  ( -5.015,  10.337,   3.735)  ( -5.015,  10.336,   3.735)  ( 0.00,  0.02,  0.02)
166:     torsion ( -0.197,   1.065,  -2.228)  ( -0.197,   1.065,  -2.228)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 10.854,  -1.808,   0.220)  ( 10.854,  -1.808,   0.220)  ( 0.00,  0.00,  0.00)
166:     electro (  1.186,  -1.127,  -0.621)  (  1.186,  -1.127,  -0.621)  ( 0.00,  0.00,  0.00)
166: 19       (  3.262, -11.126,   7.782)  (  3.268, -11.121,   7.787)  ( 0.17,  0.05,  0.06)
166:     bond    (  1.121,  -2.081,   3.281)  (  1.125,  -2.077,   3.285)  ( 0.37,  0.19,  0.12)
166:     angle   ( -4.420,  -2.772,   7.469)  ( -4.418,  -2.771,   7.471)  ( 0.04,  0.06,  0.02)
166:     strbnd  (  0.275,   1.768,  -3.446)  (  0.274,   1.768,  -3.447)  ( 0.01,  0.03,  0.03)
166:     torsion (  2.173,  -4.215,  -2.094)  (  2.173,  -4.215,  -2.094)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.113,  -3.826,   2.573)  (  4.113,  -3.826,   2.573)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 20       ( -6.870,  36.702,  -5.681)  ( -6.722,  36.693,  -6.048)  ( 2.15,  0.02,  6.46)
166:     bond    (-25.048,  -5.303,  -9.231)  (-25.043,  -5.295,  -9.230)  ( 0.02,  0.16,  0.01)
166:     angle   ( 27.154,  45.020,   3.962)  ( 27.157,  45.022,   3.962)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -8.325,   2.343,  -3.287)  ( -8.326,   2.342,  -3.287)  ( 0.01,  0.03,  0.00)
166:     torsion ( -0.784,   0.421,   0.854)  ( -0.784,   0.421,   0.855)  ( 0.01,  0.00,  0.10)
166:     oop     ( -0.853,   0.117,   2.254)  ( -0.713,   0.098,   1.885)  (11.97,  0.23, 16.38)
166:     vdw     ( -7.531,  -5.686,  -2.010)  ( -7.531,  -5.686,  -2.010)  ( 0.00,  0.00,  0.00)
166:     electro (  8.518,  -0.209,   1.778)  (  8.518,  -0.209,   1.778)  ( 0.00,  0.00,  0.00)
166: 21       (-22.969,  25.239, -11.051)  (-22.997,  25.251, -10.962)  ( 0.12,  0.05,  0.80)
166:     bond    (  1.411,  -0.192,   0.529)  (  1.413,  -0.184,   0.530)  ( 0.16,  0.16,  0.02)
166:     angle   (-46.884,  20.267, -18.839)  (-46.882,  20.268, -18.839)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( 12.752,   3.510,   4.513)  ( 12.751,   3.510,   4.513)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.598,   0.098,   1.696)  ( -0.597,   0.098,   1.697)  ( 0.01,  0.00,  0.05)
166:     oop     (  0.246,  -0.028,  -0.654)  (  0.213,  -0.025,  -0.567)  ( 0.80,  0.01,  5.70)
166:     vdw     (  4.514,   7.067,  -1.941)  (  4.514,   7.067,  -1.941)  ( 0.00,  0.00,  0.00)
166:     electro (  5.590,  -5.484,   3.645)  (  5.590,  -5.484,   3.645)  ( 0.00,  0.00,  0.00)
166: 22       ( 25.973,  -4.939,  11.390)  ( 25.954,  -4.927,  11.463)  ( 0.08,  0.25,  0.64)
166:     bond    (  5.877,  -7.278,   2.737)  (  5.883,  -7.273,   2.738)  ( 0.10,  0.07,  0.03)
166:     angle   ( 43.794,  -7.031,  17.104)  ( 43.796,  -7.028,  17.104)  ( 0.00,  0.03,  0.00)
166:     strbnd  (-22.680,  -3.722,  -8.477)  (-22.681,  -3.722,  -8.477)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.130,  -0.036,  -0.336)  (  0.130,  -0.036,  -0.335)  ( 0.00,  0.00,  0.04)
166:     oop     (  0.109,  -0.020,  -0.288)  (  0.082,  -0.015,  -0.218)  ( 0.29,  0.01,  2.03)
166:     vdw     ( -2.056,  15.026,   0.263)  ( -2.056,  15.026,   0.263)  ( 0.00,  0.00,  0.00)
166:     electro (  0.800,  -1.878,   0.388)  (  0.800,  -1.878,   0.388)  ( 0.00,  0.00,  0.00)
166: 23       (-28.137, -37.839,  -8.334)  (-28.148, -37.828,  -8.283)  ( 0.04,  0.03,  0.61)
166:     bond    ( -0.604, -30.983,   1.773)  ( -0.599, -30.977,   1.774)  ( 0.32,  0.02,  0.05)
166:     angle   (-36.863, -14.117, -12.692)  (-36.861, -14.115, -12.691)  ( 0.01,  0.01,  0.00)
166:     strbnd  (  7.549,   3.290,   2.655)  (  7.548,   3.290,   2.655)  ( 0.01,  0.03,  0.01)
166:     torsion (  0.142,  -0.020,  -0.374)  (  0.142,  -0.020,  -0.373)  ( 0.00,  0.00,  0.04)
166:     oop     (  0.061,  -0.009,  -0.157)  (  0.042,  -0.006,  -0.109)  ( 0.11,  0.00,  0.76)
166:     vdw     (  4.758,   7.545,   1.424)  (  4.758,   7.546,   1.424)  ( 0.00,  0.00,  0.00)
166:     electro ( -3.179,  -3.546,  -0.964)  ( -3.179,  -3.546,  -0.964)  ( 0.00,  0.00,  0.00)
166: 24       (-10.644,  46.320,  -7.304)  (-10.601,  46.321,  -7.383)  ( 0.41,  0.00,  1.07)
166:     bond    ( -7.128,  36.476,  -5.032)  ( -7.118,  36.481,  -5.030)  ( 0.14,  0.02,  0.03)
166:     angle   (  3.045,   5.260,   0.441)  (  3.047,   5.262,   0.441)  ( 0.07,  0.05,  0.02)
166:     strbnd  (  3.284,   4.936,   0.917)  (  3.283,   4.934,   0.917)  ( 0.03,  0.02,  0.03)
166:     torsion ( -0.033,  -0.002,   0.110)  ( -0.033,  -0.002,   0.110)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.164,   0.025,   0.425)  ( -0.132,   0.020,   0.344)  ( 0.53,  0.01,  3.44)
166:     vdw     (  3.476,  -4.869,   1.621)  (  3.476,  -4.869,   1.621)  ( 0.00,  0.00,  0.00)
166:     electro (-13.123,   4.494,  -5.786)  (-13.123,   4.494,  -5.786)  ( 0.00,  0.00,  0.00)
166: 25       (  2.890, -52.759,   7.938)  (  2.866, -52.746,   8.021)  ( 0.81,  0.03,  1.05)
166:     bond    (  8.283,   2.133,   2.726)  (  8.290,   2.140,   2.727)  ( 0.08,  0.31,  0.03)
166:     angle   ( -6.422, -45.385,   1.001)  ( -6.420, -45.383,   1.001)  ( 0.02,  0.01,  0.03)
166:     strbnd  (-10.186,  -7.939,  -3.501)  (-10.187,  -7.938,  -3.501)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.692,  -0.055,  -1.836)  (  0.692,  -0.055,  -1.835)  ( 0.01,  0.00,  0.06)
166:     oop     (  0.204,  -0.021,  -0.530)  (  0.173,  -0.017,  -0.449)  ( 0.63,  0.01,  4.31)
166:     vdw     (  8.959,  -7.735,   8.017)  (  8.959,  -7.735,   8.017)  ( 0.00,  0.01,  0.00)
166:     electro (  1.360,   6.242,   2.061)  (  1.360,   6.242,   2.061)  ( 0.00,  0.00,  0.00)
166: 26       (-24.717, -18.946,  -4.036)  (-24.728, -18.935,  -3.986)  ( 0.04,  0.06,  1.24)
166:     bond    (-24.696,   9.518, -10.388)  (-24.690,   9.523, -10.387)  ( 0.03,  0.05,  0.01)
166:     angle   ( -7.991, -22.014,  -4.231)  ( -7.989, -22.012,  -4.230)  ( 0.02,  0.01,  0.01)
166:     strbnd  (  7.348,  -6.906,   2.805)  (  7.348,  -6.906,   2.805)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.081,  -0.067,  -0.270)  (  0.081,  -0.067,  -0.270)  ( 0.00,  0.00,  0.02)
166:     oop     (  0.110,  -0.023,  -0.279)  (  0.091,  -0.019,  -0.231)  ( 0.20,  0.01,  1.33)
166:     vdw     (  0.759,  -0.386,   8.493)  (  0.759,  -0.386,   8.493)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.328,   0.932,  -0.167)  ( -0.328,   0.932,  -0.167)  ( 0.00,  0.00,  0.00)
166: 27       ( 43.032,  25.104,  14.730)  ( 43.049,  25.107,  14.703)  ( 0.04,  0.01,  0.19)
166:     bond    ( 18.803,  -4.833,   7.511)  ( 18.809,  -4.830,   7.512)  ( 0.03,  0.06,  0.01)
166:     angle   ( 18.124,  40.689,   3.688)  ( 18.124,  40.692,   3.688)  ( 0.00,  0.01,  0.00)
166:     strbnd  (  3.463, -10.759,   2.073)  (  3.463, -10.760,   2.073)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.026,  -0.003,  -0.071)  (  0.026,  -0.003,  -0.071)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.076,   0.016,   0.200)  ( -0.065,   0.014,   0.171)  ( 0.09,  0.00,  0.58)
166:     vdw     (  0.932,  -1.439,   0.904)  (  0.932,  -1.439,   0.904)  ( 0.01,  0.00,  0.00)
166:     electro (  1.760,   1.432,   0.427)  (  1.760,   1.432,   0.427)  ( 0.00,  0.00,  0.00)
166: 28       ( 11.894, -38.621,   7.172)  ( 11.897, -38.613,   7.186)  ( 0.02,  0.02,  0.20)
166:     bond    ( 10.457,  12.301,   2.949)  ( 10.462,  12.307,   2.950)  ( 0.05,  0.05,  0.03)
166:     angle   ( -9.168, -55.992,   0.592)  ( -9.166, -55.990,   0.592)  ( 0.03,  0.00,  0.03)
166:     strbnd  ( 10.254,   8.892,   3.121)  ( 10.253,   8.891,   3.121)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.078,   0.016,   0.208)  ( -0.078,   0.016,   0.209)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.033,  -0.007,  -0.088)  (  0.029,  -0.006,  -0.076)  ( 0.02,  0.00,  0.11)
166:     vdw     (  0.152,   1.397,  -0.108)  (  0.152,   1.397,  -0.108)  ( 0.00,  0.00,  0.00)
166:     electro (  0.245,  -5.228,   0.497)  (  0.245,  -5.228,   0.497)  ( 0.00,  0.00,  0.00)
166: 29       ( 12.410,   3.420,   4.766)  ( 12.399,   3.425,   4.814)  ( 0.09,  0.14,  1.01)
166:     bond    (  4.738,  -2.006,   1.986)  (  4.745,  -2.005,   1.987)  ( 0.15,  0.06,  0.06)
166:     angle   (  4.344,  11.246,   0.976)  (  4.344,  11.247,   0.976)  ( 0.00,  0.01,  0.00)
166:     strbnd  (  8.204,  -1.157,   3.293)  (  8.204,  -1.157,   3.293)  ( 0.00,  0.02,  0.00)
166:     torsion ( -0.049,   0.009,   0.126)  ( -0.049,   0.009,   0.127)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.076,  -0.012,  -0.195)  (  0.058,  -0.009,  -0.148)  ( 0.14,  0.00,  0.91)
166:     vdw     ( -0.237,  -3.506,   0.148)  ( -0.237,  -3.506,   0.148)  ( 0.00,  0.00,  0.00)
166:     electro ( -4.665,  -1.154,  -1.568)  ( -4.665,  -1.154,  -1.568)  ( 0.00,  0.00,  0.00)
166: 30       ( -0.901,  29.900,  -2.380)  ( -0.892,  29.905,  -2.388)  ( 0.85,  0.02,  0.32)
166:     bond    ( -4.277,   0.277,  -1.598)  ( -4.272,   0.282,  -1.594)  ( 0.12,  0.12,  0.27)
166:     angle   ( 12.189,  27.647,   2.441)  ( 12.190,  27.649,   2.443)  ( 0.02,  0.01,  0.06)
166:     strbnd  (-12.899,  -0.004,  -4.802)  (-12.901,  -0.005,  -4.803)  ( 0.02,  0.00,  0.01)
166:     torsion ( -0.029,  -0.010,   0.078)  ( -0.029,  -0.010,   0.078)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.021,   0.004,   0.055)  ( -0.016,   0.003,   0.042)  ( 0.01,  0.00,  0.07)
166:     vdw     (  2.572,   3.686,   0.693)  (  2.572,   3.686,   0.693)  ( 0.00,  0.00,  0.00)
166:     electro (  1.563,  -1.700,   0.754)  (  1.563,  -1.700,   0.754)  ( 0.00,  0.00,  0.00)
166: 31       ( -2.541,  -1.390,   5.410)  ( -2.521,  -1.388,   5.379)  ( 0.76,  0.19,  0.57)
166:     bond    (  2.316,  -1.013,   0.462)  (  2.320,  -1.009,   0.466)  ( 0.17,  0.39,  0.18)
166:     angle   ( -1.033,  -3.283,   3.719)  ( -1.030,  -3.281,   3.721)  ( 0.20,  0.06,  0.05)
166:     strbnd  ( -1.912,   0.920,  -0.790)  ( -1.913,   0.919,  -0.791)  ( 0.04,  0.06,  0.08)
166:     torsion ( -0.089,   0.197,   0.525)  ( -0.089,   0.197,   0.525)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.059,   0.012,   0.150)  ( -0.045,   0.010,   0.114)  ( 0.08,  0.00,  0.53)
166:     vdw     ( -0.575,   2.524,   1.662)  ( -0.575,   2.524,   1.662)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.188,  -0.749,  -0.319)  ( -1.188,  -0.749,  -0.319)  ( 0.00,  0.00,  0.00)
166: 32       ( -0.533,   9.885,  -5.279)  ( -0.528,   9.891,  -5.275)  ( 0.30,  0.05,  0.09)
166:     bond    ( -0.397,   0.967,   0.156)  ( -0.393,   0.971,   0.160)  ( 0.16,  0.37,  0.06)
166:     angle   (  1.310,   8.321,  -3.491)  (  1.312,   8.323,  -3.489)  ( 0.14,  0.02,  0.06)
166:     strbnd  (  0.932,  -1.664,  -0.673)  (  0.932,  -1.665,  -0.674)  ( 0.03,  0.04,  0.07)
166:     torsion ( -1.283,   1.507,   0.186)  ( -1.282,   1.508,   0.186)  ( 0.01,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.096,   0.754,  -1.457)  ( -1.096,   0.754,  -1.457)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 33       ( -0.762,  -6.186,  -6.819)  ( -0.756,  -6.181,  -6.814)  ( 0.42,  0.08,  0.08)
166:     bond    ( -0.257,   0.740,  -0.064)  ( -0.253,   0.744,  -0.060)  ( 0.11,  0.30,  0.03)
166:     angle   ( -0.057,  -7.999,  -0.743)  ( -0.055,  -7.998,  -0.742)  ( 0.01,  0.02,  0.13)
166:     strbnd  ( -0.135,   0.372,   0.957)  ( -0.135,   0.371,   0.957)  ( 0.01,  0.03,  0.07)
166:     torsion (  0.594,   0.454,  -0.563)  (  0.594,   0.454,  -0.563)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.907,   0.247,  -6.406)  ( -0.907,   0.247,  -6.406)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 34       (  3.845, -11.220,   1.372)  (  3.846, -11.218,   1.373)  ( 0.03,  0.02,  0.05)
166:     bond    (  5.169, -14.116,   0.695)  (  5.169, -14.113,   0.695)  ( 0.01,  0.02,  0.01)
166:     angle   (  3.342,   1.196,  -0.586)  (  3.343,   1.196,  -0.585)  ( 0.02,  0.01,  0.03)
166:     strbnd  ( -1.346,  -0.265,  -0.102)  ( -1.346,  -0.265,  -0.102)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.449,   0.094,  -1.417)  (  0.449,   0.094,  -1.417)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.769,   1.870,   2.782)  ( -3.769,   1.870,   2.782)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 35       (  3.186,   4.348, -12.560)  (  3.187,   4.349, -12.557)  ( 0.03,  0.02,  0.02)
166:     bond    (  3.564,   5.536, -13.771)  (  3.564,   5.537, -13.769)  ( 0.01,  0.01,  0.02)
166:     angle   (  4.272,   0.896,   1.466)  (  4.273,   0.896,   1.466)  ( 0.01,  0.04,  0.01)
166:     strbnd  ( -1.404,  -0.280,   0.081)  ( -1.404,  -0.280,   0.081)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.176,  -0.765,  -0.353)  ( -0.176,  -0.765,  -0.353)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.070,  -1.039,   0.017)  ( -3.070,  -1.039,   0.017)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 36       ( 12.939,  -0.809,   0.266)  ( 12.942,  -0.808,   0.266)  ( 0.02,  0.05,  0.02)
166:     bond    ( 14.948,  -0.872,  -2.186)  ( 14.951,  -0.871,  -2.186)  ( 0.02,  0.01,  0.01)
166:     angle   ( -0.194,  -0.295,  -1.209)  ( -0.194,  -0.294,  -1.209)  ( 0.00,  0.01,  0.05)
166:     strbnd  ( -0.620,   0.104,   0.833)  ( -0.620,   0.104,   0.833)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.055,   0.235,   0.284)  (  0.055,   0.235,   0.284)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.250,   0.018,   2.544)  ( -1.250,   0.018,   2.544)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 37       ( -3.970,  10.635,   0.243)  ( -3.969,  10.638,   0.244)  ( 0.02,  0.03,  0.02)
166:     bond    ( -3.964,  14.301,  -1.740)  ( -3.964,  14.304,  -1.740)  ( 0.01,  0.02,  0.01)
166:     angle   (  0.591,  -0.040,  -1.679)  (  0.592,  -0.040,  -1.678)  ( 0.03,  0.00,  0.03)
166:     strbnd  (  0.204,  -0.463,   0.799)  (  0.204,  -0.463,   0.799)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.285,   0.262,  -0.775)  (  1.285,   0.262,  -0.775)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.086,  -3.424,   3.639)  ( -2.086,  -3.424,   3.639)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 38       ( -0.865,  -4.190,  12.257)  ( -0.865,  -4.189,  12.259)  ( 0.07,  0.02,  0.02)
166:     bond    ( -3.389,  -5.369,  13.737)  ( -3.388,  -5.369,  13.739)  ( 0.01,  0.01,  0.02)
166:     angle   ( -1.029,  -0.520,  -0.457)  ( -1.029,  -0.520,  -0.457)  ( 0.05,  0.02,  0.00)
166:     strbnd  (  0.813,   0.452,  -0.424)  (  0.813,   0.452,  -0.424)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.168,   0.305,   0.160)  (  0.168,   0.305,   0.160)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.572,   0.942,  -0.759)  (  2.572,   0.942,  -0.759)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 39       ( -2.366,  11.043,  -1.302)  ( -2.365,  11.045,  -1.301)  ( 0.04,  0.02,  0.05)
166:     bond    ( -5.175,  13.998,  -0.756)  ( -5.174,  14.001,  -0.756)  ( 0.01,  0.02,  0.01)
166:     angle   ( -1.747,  -0.629,   0.301)  ( -1.746,  -0.629,   0.301)  ( 0.03,  0.00,  0.01)
166:     strbnd  (  0.846,  -0.285,   0.215)  (  0.846,  -0.285,   0.215)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.933,  -0.284,   1.129)  ( -0.933,  -0.284,   1.129)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.643,  -1.758,  -2.190)  (  4.643,  -1.758,  -2.190)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 40       (-14.084,   0.166,   1.101)  (-14.081,   0.167,   1.102)  ( 0.02,  0.01,  0.07)
166:     bond    (-15.161,   0.766,   2.378)  (-15.158,   0.766,   2.378)  ( 0.02,  0.01,  0.01)
166:     angle   (  0.632,  -0.293,   4.123)  (  0.632,  -0.293,   4.124)  ( 0.00,  0.01,  0.01)
166:     strbnd  (  0.268,   0.146,  -1.361)  (  0.268,   0.146,  -1.361)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.102,  -0.786,  -0.394)  ( -0.102,  -0.786,  -0.394)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.279,   0.334,  -3.644)  (  0.280,   0.334,  -3.644)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 41       (  4.171, -11.140,   1.325)  (  4.172, -11.137,   1.325)  ( 0.02,  0.02,  0.06)
166:     bond    (  4.150, -14.362,   1.795)  (  4.150, -14.360,   1.795)  ( 0.01,  0.02,  0.01)
166:     angle   ( -1.040,   0.213,   4.111)  ( -1.039,   0.213,   4.111)  ( 0.04,  0.00,  0.01)
166:     strbnd  (  0.104,   0.125,  -1.337)  (  0.104,   0.125,  -1.337)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.377,  -0.373,   0.198)  ( -1.377,  -0.373,   0.198)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.335,   3.257,  -3.441)  (  2.335,   3.257,  -3.441)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 42       ( -4.567,  10.654,  -2.215)  ( -4.567,  10.656,  -2.215)  ( 0.02,  0.03,  0.03)
166:     bond    ( -3.731,  13.029,  -0.572)  ( -3.730,  13.032,  -0.572)  ( 0.01,  0.02,  0.00)
166:     angle   (  1.346,   0.459,   1.669)  (  1.346,   0.459,   1.669)  ( 0.03,  0.00,  0.03)
166:     strbnd  ( -0.246,  -0.135,  -0.322)  ( -0.246,  -0.135,  -0.322)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.006,  -0.001,   0.005)  ( -0.006,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.931,  -2.698,  -2.995)  ( -1.931,  -2.698,  -2.995)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 43       ( 11.621,  -1.350,  -2.700)  ( 11.624,  -1.349,  -2.700)  ( 0.03,  0.04,  0.02)
166:     bond    ( 13.434,  -0.728,  -1.655)  ( 13.437,  -0.728,  -1.655)  ( 0.02,  0.01,  0.01)
166:     angle   (  0.239,  -0.414,   2.123)  (  0.239,  -0.413,   2.123)  ( 0.00,  0.02,  0.02)
166:     strbnd  ( -0.632,  -0.208,  -0.263)  ( -0.633,  -0.208,  -0.263)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.014,   0.348,  -0.265)  ( -0.014,   0.348,  -0.265)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.406,  -0.348,  -2.640)  ( -1.406,  -0.348,  -2.640)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 44       ( -3.360,  -5.091,  10.354)  ( -3.359,  -5.090,  10.356)  ( 0.02,  0.02,  0.03)
166:     bond    ( -2.735,  -4.743,  12.407)  ( -2.734,  -4.742,  12.410)  ( 0.01,  0.01,  0.02)
166:     angle   (  2.115,   0.037,   0.480)  (  2.115,   0.037,   0.480)  ( 0.02,  0.00,  0.00)
166:     strbnd  ( -0.131,  -0.084,  -0.698)  ( -0.131,  -0.084,  -0.698)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.336,   0.257,   0.024)  ( -0.336,   0.257,   0.024)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.272,  -0.558,  -1.860)  ( -2.272,  -0.558,  -1.860)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 45       (  6.016,   7.613,   2.296)  (  6.018,   7.618,   2.287)  ( 0.03,  0.06,  0.41)
166:     bond    (  9.306,   9.280,   2.085)  (  9.308,   9.282,   2.085)  ( 0.02,  0.02,  0.01)
166:     angle   ( -0.825,   0.781,   0.202)  ( -0.825,   0.782,   0.202)  ( 0.03,  0.02,  0.00)
166:     strbnd  ( -0.536,  -0.577,  -0.147)  ( -0.536,  -0.577,  -0.147)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.003,   0.038,  -0.155)  ( -0.003,   0.038,  -0.155)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.333,  -8.190,  -5.814)  (  0.333,  -8.190,  -5.813)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.048,   0.362,   0.971)  ( -0.048,   0.362,   0.971)  ( 0.00,  0.00,  0.00)
168: 18       (  4.901,  -9.780,  -7.635)  (  4.906,  -9.775,  -7.629)  ( 0.12,  0.05,  0.07)
168:     bond    (  8.725, -11.934,  -3.140)  (  8.729, -11.929,  -3.136)  ( 0.04,  0.04,  0.13)
168:     angle   ( -9.764,  -7.159,  -6.067)  ( -9.762,  -7.157,  -6.065)  ( 0.02,  0.03,  0.03)
168:     strbnd  ( -5.015,  10.337,   3.735)  ( -5.015,  10.336,   3.735)  ( 0.00,  0.02,  0.02)
168:     torsion ( -0.197,   1.065,  -2.228)  ( -0.197,   1.065,  -2.228)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 10.854,  -1.808,   0.220)  ( 10.854,  -1.808,   0.220)  ( 0.00,  0.00,  0.00)
168:     electro (  0.296,  -0.282,  -0.155)  (  0.296,  -0.282,  -0.155)  ( 0.00,  0.00,  0.00)
168: 19       (  3.262, -11.126,   7.782)  (  3.268, -11.121,   7.787)  ( 0.17,  0.05,  0.06)
168:     bond    (  1.121,  -2.081,   3.281)  (  1.125,  -2.077,   3.285)  ( 0.37,  0.19,  0.12)
168:     angle   ( -4.420,  -2.772,   7.469)  ( -4.418,  -2.771,   7.471)  ( 0.04,  0.06,  0.02)
168:     strbnd  (  0.275,   1.768,  -3.446)  (  0.274,   1.768,  -3.447)  ( 0.01,  0.03,  0.03)
168:     torsion (  2.173,  -4.215,  -2.094)  (  2.173,  -4.215,  -2.094)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.113,  -3.826,   2.573)  (  4.113,  -3.826,   2.573)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 20       (-13.410,  36.890,  -6.616)  (-13.231,  36.875,  -7.066)  ( 1.34,  0.04,  6.81)
168:     bond    (-25.048,  -5.303,  -9.231)  (-25.043,  -5.295,  -9.230)  ( 0.02,  0.16,  0.01)
168:     angle   ( 27.154,  45.020,   3.962)  ( 27.157,  45.022,   3.962)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -8.325,   2.343,  -3.287)  ( -8.326,   2.342,  -3.287)  ( 0.01,  0.03,  0.00)
168:     torsion ( -0.784,   0.421,   0.853)  ( -0.784,   0.421,   0.855)  ( 0.01,  0.00,  0.10)
168:     oop     ( -1.005,   0.148,   2.652)  ( -0.833,   0.123,   2.200)  (17.14,  0.37, 17.06)
168:     vdw     ( -7.531,  -5.686,  -2.010)  ( -7.531,  -5.686,  -2.010)  ( 0.00,  0.00,  0.00)
168:     electro (  2.129,  -0.052,   0.444)  (  2.129,  -0.052,   0.444)  ( 0.00,  0.00,  0.00)
168: 21       (-27.162,  29.352, -13.784)  (-27.190,  29.364, -13.696)  ( 0.10,  0.04,  0.64)
168:     bond    (  1.411,  -0.192,   0.529)  (  1.413,  -0.184,   0.530)  ( 0.16,  0.16,  0.02)
168:     angle   (-46.884,  20.267, -18.839)  (-46.882,  20.268, -18.839)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( 12.752,   3.510,   4.513)  ( 12.751,   3.510,   4.513)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.598,   0.098,   1.696)  ( -0.597,   0.098,   1.697)  ( 0.01,  0.00,  0.05)
168:     oop     (  0.246,  -0.028,  -0.654)  (  0.213,  -0.025,  -0.567)  ( 0.80,  0.01,  5.70)
168:     vdw     (  4.514,   7.067,  -1.941)  (  4.514,   7.067,  -1.941)  ( 0.00,  0.00,  0.00)
168:     electro (  1.398,  -1.371,   0.911)  (  1.398,  -1.371,   0.911)  ( 0.00,  0.00,  0.00)
168: 22       ( 25.373,  -3.530,  11.099)  ( 25.354,  -3.518,  11.172)  ( 0.08,  0.35,  0.65)
168:     bond    (  5.877,  -7.278,   2.737)  (  5.883,  -7.273,   2.738)  ( 0.10,  0.07,  0.03)
168:     angle   ( 43.794,  -7.031,  17.104)  ( 43.796,  -7.028,  17.104)  ( 0.00,  0.03,  0.00)
168:     strbnd  (-22.680,  -3.722,  -8.477)  (-22.681,  -3.722,  -8.477)  ( 0.00,  0.01,  0.00)
168:     torsion (  0.130,  -0.036,  -0.336)  (  0.130,  -0.036,  -0.335)  ( 0.00,  0.00,  0.04)
168:     oop     (  0.109,  -0.020,  -0.288)  (  0.082,  -0.015,  -0.218)  ( 0.29,  0.01,  2.03)
168:     vdw     ( -2.056,  15.026,   0.263)  ( -2.056,  15.026,   0.263)  ( 0.00,  0.00,  0.00)
168:     electro (  0.200,  -0.470,   0.097)  (  0.200,  -0.470,   0.097)  ( 0.00,  0.00,  0.00)
168: 23       (-25.753, -35.180,  -7.611)  (-25.763, -35.169,  -7.561)  ( 0.04,  0.03,  0.66)
168:     bond    ( -0.604, -30.983,   1.773)  ( -0.599, -30.977,   1.774)  ( 0.32,  0.02,  0.05)
168:     angle   (-36.863, -14.117, -12.692)  (-36.861, -14.115, -12.691)  ( 0.01,  0.01,  0.00)
168:     strbnd  (  7.549,   3.290,   2.655)  (  7.548,   3.290,   2.655)  ( 0.01,  0.03,  0.01)
168:     torsion (  0.142,  -0.020,  -0.374)  (  0.142,  -0.020,  -0.373)  ( 0.00,  0.00,  0.04)
168:     oop     (  0.061,  -0.009,  -0.157)  (  0.042,  -0.006,  -0.109)  ( 0.11,  0.00,  0.76)
168:     vdw     (  4.758,   7.545,   1.424)  (  4.758,   7.546,   1.424)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.795,  -0.886,  -0.241)  ( -0.795,  -0.886,  -0.241)  ( 0.00,  0.00,  0.00)
168: 24       ( -0.951,  42.977,  -2.589)  ( -0.872,  42.973,  -2.760)  ( 7.57,  0.01,  6.61)
168:     bond    ( -7.128,  36.476,  -5.032)  ( -7.118,  36.481,  -5.030)  ( 0.14,  0.02,  0.03)
168:     angle   (  3.045,   5.260,   0.441)  (  3.047,   5.262,   0.441)  ( 0.07,  0.05,  0.02)
168:     strbnd  (  3.284,   4.936,   0.917)  (  3.283,   4.934,   0.917)  ( 0.03,  0.02,  0.03)
168:     torsion ( -0.021,  -0.004,   0.079)  ( -0.021,  -0.004,   0.080)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.326,   0.056,   0.831)  ( -0.258,   0.044,   0.657)  ( 2.23,  0.06, 14.42)
168:     vdw     (  3.476,  -4.869,   1.621)  (  3.476,  -4.869,   1.621)  ( 0.00,  0.00,  0.00)
168:     electro ( -3.281,   1.124,  -1.446)  ( -3.281,   1.124,  -1.446)  ( 0.00,  0.00,  0.00)
168: 25       (  2.353, -57.543,   5.157)  (  2.241, -57.512,   5.467)  ( 4.76,  0.05,  5.99)
168:     bond    (  8.283,   2.133,   2.726)  (  8.290,   2.140,   2.727)  ( 0.08,  0.31,  0.03)
168:     angle   ( -6.422, -45.385,   1.001)  ( -6.420, -45.383,   1.001)  ( 0.02,  0.01,  0.03)
168:     strbnd  (-10.186,  -7.939,  -3.501)  (-10.187,  -7.938,  -3.501)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.679,  -0.052,  -1.804)  (  0.679,  -0.052,  -1.802)  ( 0.01,  0.00,  0.06)
168:     oop     (  0.701,  -0.126,  -1.797)  (  0.581,  -0.105,  -1.490)  ( 8.39,  0.25, 17.08)
168:     vdw     (  8.959,  -7.735,   8.017)  (  8.959,  -7.735,   8.017)  ( 0.00,  0.01,  0.00)
168:     electro (  0.340,   1.560,   0.515)  (  0.340,   1.560,   0.515)  ( 0.00,  0.00,  0.00)
168: 26       (-24.471, -19.645,  -3.911)  (-24.482, -19.634,  -3.861)  ( 0.04,  0.05,  1.28)
168:     bond    (-24.696,   9.518, -10.388)  (-24.690,   9.523, -10.387)  ( 0.03,  0.05,  0.01)
168:     angle   ( -7.991, -22.014,  -4.231)  ( -7.989, -22.012,  -4.230)  ( 0.02,  0.01,  0.01)
168:     strbnd  (  7.348,  -6.906,   2.805)  (  7.348,  -6.906,   2.805)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.081,  -0.067,  -0.270)  (  0.081,  -0.067,  -0.270)  ( 0.00,  0.00,  0.02)
168:     oop     (  0.110,  -0.023,  -0.279)  (  0.091,  -0.019,  -0.231)  ( 0.20,  0.01,  1.33)
168:     vdw     (  0.759,  -0.386,   8.493)  (  0.759,  -0.386,   8.493)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.082,   0.233,  -0.042)  ( -0.082,   0.233,  -0.042)  ( 0.00,  0.00,  0.00)
168: 27       ( 41.711,  24.030,  14.411)  ( 41.729,  24.033,  14.383)  ( 0.04,  0.01,  0.19)
168:     bond    ( 18.803,  -4.833,   7.511)  ( 18.809,  -4.830,   7.512)  ( 0.03,  0.06,  0.01)
168:     angle   ( 18.124,  40.689,   3.688)  ( 18.124,  40.692,   3.688)  ( 0.00,  0.01,  0.00)
168:     strbnd  (  3.463, -10.759,   2.073)  (  3.463, -10.760,   2.073)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.026,  -0.003,  -0.071)  (  0.026,  -0.003,  -0.071)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.076,   0.016,   0.200)  ( -0.065,   0.014,   0.171)  ( 0.09,  0.00,  0.58)
168:     vdw     (  0.932,  -1.439,   0.904)  (  0.932,  -1.439,   0.904)  ( 0.01,  0.00,  0.00)
168:     electro (  0.440,   0.358,   0.107)  (  0.440,   0.358,   0.107)  ( 0.00,  0.00,  0.00)
168: 28       ( 11.710, -34.700,   6.799)  ( 11.713, -34.692,   6.813)  ( 0.02,  0.02,  0.21)
168:     bond    ( 10.457,  12.301,   2.949)  ( 10.462,  12.307,   2.950)  ( 0.05,  0.05,  0.03)
168:     angle   ( -9.168, -55.992,   0.592)  ( -9.166, -55.990,   0.592)  ( 0.03,  0.00,  0.03)
168:     strbnd  ( 10.254,   8.892,   3.121)  ( 10.253,   8.891,   3.121)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.078,   0.016,   0.208)  ( -0.078,   0.016,   0.209)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.033,  -0.007,  -0.088)  (  0.029,  -0.006,  -0.076)  ( 0.02,  0.00,  0.11)
168:     vdw     (  0.152,   1.397,  -0.108)  (  0.152,   1.397,  -0.108)  ( 0.00,  0.00,  0.00)
168:     electro (  0.061,  -1.307,   0.124)  (  0.061,  -1.307,   0.124)  ( 0.00,  0.00,  0.00)
168: 29       ( 15.903,   4.286,   5.958)  ( 15.892,   4.291,   6.006)  ( 0.07,  0.11,  0.81)
168:     bond    (  4.738,  -2.006,   1.986)  (  4.745,  -2.005,   1.987)  ( 0.15,  0.06,  0.06)
168:     angle   (  4.344,  11.246,   0.976)  (  4.344,  11.247,   0.976)  ( 0.00,  0.01,  0.00)
168:     strbnd  (  8.204,  -1.157,   3.293)  (  8.204,  -1.157,   3.293)  ( 0.00,  0.02,  0.00)
168:     torsion ( -0.055,   0.010,   0.143)  ( -0.055,   0.010,   0.143)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.076,  -0.012,  -0.195)  (  0.058,  -0.009,  -0.148)  ( 0.14,  0.00,  0.91)
168:     vdw     ( -0.237,  -3.506,   0.148)  ( -0.237,  -3.506,   0.148)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.166,  -0.288,  -0.392)  ( -1.166,  -0.288,  -0.392)  ( 0.00,  0.00,  0.00)
168: 30       ( -2.074,  31.175,  -2.945)  ( -2.064,  31.180,  -2.953)  ( 0.46,  0.02,  0.26)
168:     bond    ( -4.277,   0.277,  -1.598)  ( -4.272,   0.282,  -1.594)  ( 0.12,  0.12,  0.27)
168:     angle   ( 12.189,  27.647,   2.441)  ( 12.190,  27.649,   2.443)  ( 0.02,  0.01,  0.06)
168:     strbnd  (-12.899,  -0.004,  -4.802)  (-12.901,  -0.005,  -4.803)  ( 0.02,  0.00,  0.01)
168:     torsion ( -0.029,  -0.010,   0.078)  ( -0.029,  -0.010,   0.078)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.021,   0.004,   0.055)  ( -0.016,   0.003,   0.042)  ( 0.01,  0.00,  0.07)
168:     vdw     (  2.572,   3.686,   0.693)  (  2.572,   3.686,   0.693)  ( 0.00,  0.00,  0.00)
168:     electro (  0.391,  -0.425,   0.188)  (  0.391,  -0.425,   0.188)  ( 0.00,  0.00,  0.00)
168: 31       ( -1.650,  -0.829,   5.649)  ( -1.630,  -0.826,   5.618)  ( 1.18,  0.22,  0.55)
168:     bond    (  2.316,  -1.013,   0.462)  (  2.320,  -1.009,   0.466)  ( 0.17,  0.39,  0.18)
168:     angle   ( -1.033,  -3.283,   3.719)  ( -1.030,  -3.281,   3.721)  ( 0.20,  0.06,  0.05)
168:     strbnd  ( -1.912,   0.920,  -0.790)  ( -1.913,   0.919,  -0.791)  ( 0.04,  0.06,  0.08)
168:     torsion ( -0.089,   0.197,   0.525)  ( -0.089,   0.197,   0.525)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.059,   0.012,   0.150)  ( -0.045,   0.010,   0.114)  ( 0.08,  0.00,  0.53)
168:     vdw     ( -0.575,   2.524,   1.662)  ( -0.575,   2.524,   1.662)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.297,  -0.187,  -0.080)  ( -0.297,  -0.187,  -0.080)  ( 0.00,  0.00,  0.00)
168: 32       ( -0.533,   9.885,  -5.279)  ( -0.528,   9.891,  -5.275)  ( 0.30,  0.05,  0.09)
168:     bond    ( -0.397,   0.967,   0.156)  ( -0.393,   0.971,   0.160)  ( 0.16,  0.37,  0.06)
168:     angle   (  1.310,   8.321,  -3.491)  (  1.312,   8.323,  -3.489)  ( 0.14,  0.02,  0.06)
168:     strbnd  (  0.932,  -1.664,  -0.673)  (  0.932,  -1.665,  -0.674)  ( 0.03,  0.04,  0.07)
168:     torsion ( -1.283,   1.507,   0.186)  ( -1.282,   1.508,   0.186)  ( 0.01,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.096,   0.754,  -1.457)  ( -1.096,   0.754,  -1.457)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 33       ( -0.762,  -6.186,  -6.819)  ( -0.756,  -6.181,  -6.814)  ( 0.42,  0.08,  0.08)
168:     bond    ( -0.257,   0.740,  -0.064)  ( -0.253,   0.744,  -0.060)  ( 0.11,  0.30,  0.03)
168:     angle   ( -0.057,  -7.999,  -0.743)  ( -0.055,  -7.998,  -0.742)  ( 0.01,  0.02,  0.13)
168:     strbnd  ( -0.135,   0.372,   0.957)  ( -0.135,   0.371,   0.957)  ( 0.01,  0.03,  0.07)
168:     torsion (  0.594,   0.454,  -0.563)  (  0.594,   0.454,  -0.563)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.907,   0.247,  -6.406)  ( -0.907,   0.247,  -6.406)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 34       (  3.845, -11.220,   1.372)  (  3.846, -11.218,   1.373)  ( 0.03,  0.02,  0.05)
168:     bond    (  5.169, -14.116,   0.695)  (  5.169, -14.113,   0.695)  ( 0.01,  0.02,  0.01)
168:     angle   (  3.342,   1.196,  -0.586)  (  3.343,   1.196,  -0.585)  ( 0.02,  0.01,  0.03)
168:     strbnd  ( -1.346,  -0.265,  -0.102)  ( -1.346,  -0.265,  -0.102)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b99_u51.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b9j_290.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b9m_azz.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bgz_vx3.sdf
164:     angle   ( -1.377,   2.670,  -3.852)  ( -1.377,   2.670,  -3.852)  ( 0.00,  0.02,  0.01)
164:     strbnd  ( -0.478,  -0.001,   0.072)  ( -0.478,  -0.001,   0.072)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.190,   2.069,   1.178)  (  0.190,   2.069,   1.178)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.856,  -3.282,   3.388)  (  1.856,  -3.282,   3.388)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 52       ( -7.404,  -4.012,  -9.315)  ( -7.403,  -4.011,  -9.313)  ( 0.02,  0.03,  0.02)
164:     bond    ( -6.876,  -6.421, -10.083)  ( -6.875,  -6.420, -10.081)  ( 0.01,  0.01,  0.02)
164:     angle   (  0.750,   1.477,  -1.453)  (  0.750,   1.478,  -1.453)  ( 0.03,  0.03,  0.02)
164:     strbnd  (  0.385,   0.337,   0.420)  (  0.385,   0.337,   0.420)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.909,   1.279,   0.487)  ( -1.909,   1.279,   0.487)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.246,  -0.685,   1.314)  (  0.246,  -0.685,   1.314)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 53       ( 15.230,  -4.611,   1.878)  ( 15.245,  -4.609,   1.844)  ( 0.09,  0.04,  1.78)
164:     bond    (  1.222, -10.271,   1.446)  (  1.222, -10.266,   1.446)  ( 0.00,  0.05,  0.00)
164:     angle   (  5.790,   0.964,   1.949)  (  5.790,   0.964,   1.949)  ( 0.01,  0.00,  0.01)
164:     strbnd  (  0.388,  -1.593,   0.291)  (  0.388,  -1.593,   0.291)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.654,  -0.156,  -1.664)  (  0.654,  -0.156,  -1.664)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.122,   0.029,   0.309)  ( -0.108,   0.026,   0.275)  ( 0.16,  0.01,  1.04)
164:     vdw     (  4.608,   1.041,   2.666)  (  4.609,   1.041,   2.666)  ( 0.00,  0.00,  0.00)
164:     electro (  2.690,   5.376,  -3.118)  (  2.690,   5.375,  -3.118)  ( 0.00,  0.00,  0.00)
164: 54       ( -7.250, -11.027,  -1.781)  ( -7.249, -11.024,  -1.781)  ( 0.01,  0.03,  0.03)
164:     bond    ( -4.260, -12.234,  -0.605)  ( -4.260, -12.231,  -0.605)  ( 0.01,  0.02,  0.00)
164:     angle   ( -3.795,   1.395,  -1.482)  ( -3.795,   1.395,  -1.482)  ( 0.01,  0.01,  0.03)
164:     strbnd  ( -1.388,  -0.259,  -0.495)  ( -1.388,  -0.259,  -0.495)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.002,  -0.000,  -0.006)  (  0.002,  -0.000,  -0.006)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.191,   0.071,   0.806)  (  2.191,   0.071,   0.806)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 55       (-10.238,   6.128,   6.355)  (-10.237,   6.129,   6.357)  ( 0.01,  0.02,  0.02)
164:     bond    ( -7.660,   6.780,   8.104)  ( -7.659,   6.781,   8.105)  ( 0.01,  0.01,  0.01)
164:     angle   ( -3.786,  -2.269,  -1.680)  ( -3.786,  -2.268,  -1.680)  ( 0.01,  0.01,  0.02)
164:     strbnd  ( -1.833,   0.486,   0.087)  ( -1.833,   0.486,   0.087)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.040,   1.129,  -0.155)  (  3.040,   1.129,  -0.155)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 56       ( -3.327,   4.630, -12.310)  ( -3.326,   4.631, -12.307)  ( 0.02,  0.02,  0.02)
164:     bond    ( -0.179,   5.185, -12.000)  ( -0.178,   5.185, -11.998)  ( 0.00,  0.01,  0.02)
164:     angle   ( -3.994,  -2.155,  -0.872)  ( -3.993,  -2.155,  -0.872)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( -1.307,   0.375,  -1.326)  ( -1.307,   0.375,  -1.326)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.002,   0.012,   0.005)  ( -0.002,   0.012,   0.005)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.154,   1.213,   1.884)  (  2.154,   1.213,   1.884)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 57       ( -0.307,  -9.122,  -8.188)  ( -0.306,  -9.120,  -8.187)  ( 0.02,  0.02,  0.02)
164:     bond    (  0.825, -11.920,  -8.291)  (  0.825, -11.918,  -8.290)  ( 0.01,  0.02,  0.01)
164:     angle   (  0.266,   0.885,  -1.246)  (  0.266,   0.885,  -1.246)  ( 0.01,  0.02,  0.03)
164:     strbnd  (  0.564,   0.787,   0.734)  (  0.564,   0.787,   0.734)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.170,  -0.005,   0.024)  (  0.170,  -0.005,   0.024)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.131,   1.130,   0.592)  ( -2.131,   1.130,   0.592)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 58       (  9.212,   6.945,  -1.363)  (  9.214,   6.946,  -1.362)  ( 0.03,  0.02,  0.05)
164:     bond    ( 12.173,   6.773,  -1.368)  ( 12.175,   6.774,  -1.368)  ( 0.02,  0.01,  0.01)
164:     angle   (  0.058,  -0.350,  -1.218)  (  0.058,  -0.349,  -1.217)  ( 0.00,  0.01,  0.04)
164:     strbnd  ( -0.521,  -1.011,   0.065)  ( -0.521,  -1.011,   0.065)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.181,  -0.338,  -0.064)  (  0.181,  -0.338,  -0.064)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.678,   1.870,   1.221)  ( -2.678,   1.870,   1.222)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 59       (-10.799,  -6.712,  -0.430)  (-10.797,  -6.711,  -0.429)  ( 0.02,  0.02,  0.03)
164:     bond    (-12.830,  -7.728,   1.306)  (-12.828,  -7.727,   1.306)  ( 0.02,  0.01,  0.01)
164:     angle   (  0.385,  -0.545,   0.558)  (  0.385,  -0.545,   0.558)  ( 0.01,  0.02,  0.03)
164:     strbnd  (  0.887,   0.269,   0.033)  (  0.887,   0.269,   0.033)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.569,  -0.988,  -0.256)  (  0.569,  -0.988,  -0.256)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.191,   2.279,  -2.071)  (  0.191,   2.279,  -2.071)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 60       (  9.776,  -8.215,   3.975)  (  9.777,  -8.214,   3.976)  ( 0.02,  0.02,  0.02)
164:     bond    ( 11.330,  -9.354,   4.398)  ( 11.332,  -9.353,   4.398)  ( 0.01,  0.01,  0.01)
164:     angle   ( -0.016,   0.054,   0.154)  ( -0.015,   0.054,   0.155)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( -0.988,   0.483,  -0.237)  ( -0.988,   0.483,  -0.237)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.315,  -0.335,   0.099)  ( -0.315,  -0.335,   0.099)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.236,   0.937,  -0.438)  ( -0.236,   0.937,  -0.438)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 61       ( -1.361,  -1.860,  12.613)  ( -1.360,  -1.859,  12.616)  ( 0.04,  0.04,  0.02)
164:     bond    ( -1.242,  -3.974,  13.096)  ( -1.242,  -3.974,  13.099)  ( 0.01,  0.01,  0.02)
164:     angle   ( -0.493,   2.159,   0.609)  ( -0.492,   2.160,   0.609)  ( 0.02,  0.02,  0.00)
164:     strbnd  (  0.058,   0.509,  -0.577)  (  0.058,   0.509,  -0.577)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.242,  -0.008,   0.020)  (  0.242,  -0.008,   0.020)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.075,  -0.546,  -0.535)  (  0.075,  -0.546,  -0.535)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 62       (  9.949,   7.205,  -0.655)  (  9.951,   7.206,  -0.654)  ( 0.02,  0.02,  0.04)
164:     bond    ( 11.359,   7.334,  -1.037)  ( 11.361,   7.335,  -1.037)  ( 0.02,  0.01,  0.01)
164:     angle   ( -0.599,   1.148,   1.564)  ( -0.599,   1.148,   1.564)  ( 0.01,  0.03,  0.03)
164:     strbnd  ( -0.498,  -0.036,   0.239)  ( -0.498,  -0.036,   0.239)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.089,  -0.116,   0.153)  (  0.089,  -0.116,   0.153)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.402,  -1.125,  -1.573)  ( -0.402,  -1.125,  -1.573)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 63       ( -9.227,   7.918,  -3.842)  ( -9.225,   7.919,  -3.841)  ( 0.02,  0.02,  0.02)
164:     bond    (-10.234,   7.920,  -2.677)  (-10.232,   7.921,  -2.677)  ( 0.02,  0.01,  0.01)
164:     angle   (  0.410,   1.448,   2.720)  (  0.410,   1.449,   2.720)  ( 0.01,  0.02,  0.02)
164:     strbnd  (  0.495,  -0.112,   0.334)  (  0.495,  -0.112,   0.334)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.316,  -0.287,   0.358)  ( -0.316,  -0.287,   0.358)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.419,  -1.051,  -4.577)  (  0.419,  -1.051,  -4.577)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: ok 36 # gradients 
166:     oop     (  0.001,  -0.014,   0.060)  (  0.001,  -0.012,   0.050)  ( 0.00,  0.00,  0.06)
166:     vdw     (  0.608,  -1.936,  -0.168)  (  0.608,  -1.936,  -0.168)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.535,   0.041,   0.419)  ( -2.535,   0.041,   0.419)  ( 0.00,  0.00,  0.00)
166: 46       ( -0.787,   8.785,   2.088)  ( -0.787,   8.791,   2.076)  ( 0.06,  0.07,  0.60)
166:     bond    ( -2.236,  11.174,   2.917)  ( -2.236,  11.177,   2.918)  ( 0.01,  0.03,  0.01)
166:     angle   (  7.037,   1.340,   0.260)  (  7.038,   1.340,   0.260)  ( 0.01,  0.00,  0.00)
166:     strbnd  (  0.866,  -2.736,  -0.746)  (  0.866,  -2.736,  -0.746)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.005,  -0.155,   0.595)  (  0.005,  -0.155,   0.596)  ( 0.00,  0.00,  0.02)
166:     oop     (  0.002,  -0.022,   0.087)  (  0.001,  -0.019,   0.074)  ( 0.00,  0.01,  0.11)
166:     vdw     ( -6.676,  -0.740,  -0.917)  ( -6.676,  -0.740,  -0.917)  ( 0.00,  0.00,  0.00)
166:     electro (  0.216,  -0.076,  -0.108)  (  0.216,  -0.076,  -0.108)  ( 0.00,  0.00,  0.00)
166: 47       (  3.539,  -5.729,  -2.999)  (  3.540,  -5.736,  -2.962)  ( 0.03,  0.12,  1.22)
166:     bond    (  3.394, -11.784,  -3.276)  (  3.394, -11.781,  -3.275)  ( 0.01,  0.03,  0.01)
166:     angle   (  2.930,   0.813,   0.113)  (  2.931,   0.813,   0.113)  ( 0.02,  0.00,  0.00)
166:     strbnd  ( -0.210,   2.122,   0.663)  ( -0.210,   2.122,   0.663)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.017,   0.295,  -1.081)  ( -0.017,   0.295,  -1.080)  ( 0.00,  0.00,  0.03)
166:     oop     ( -0.001,   0.065,  -0.234)  ( -0.001,   0.055,  -0.198)  ( 0.00,  0.06,  0.85)
166:     vdw     ( -3.105,   0.175,   0.934)  ( -3.105,   0.175,   0.934)  ( 0.01,  0.00,  0.00)
166:     electro (  0.548,   2.584,  -0.118)  (  0.548,   2.584,  -0.118)  ( 0.00,  0.00,  0.00)
166: 48       (-12.816,  -1.854,   2.520)  (-12.814,  -1.854,   2.521)  ( 0.02,  0.04,  0.03)
166:     bond    (-14.576,  -0.381,   3.434)  (-14.573,  -0.381,   3.434)  ( 0.02,  0.00,  0.01)
166:     angle   (  0.009,  -1.112,  -0.086)  (  0.009,  -1.111,  -0.085)  ( 0.00,  0.06,  0.00)
166:     strbnd  (  1.318,  -0.737,  -0.196)  (  1.318,  -0.737,  -0.196)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.019,   0.024,   0.082)  (  0.019,   0.024,   0.082)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.413,   0.351,  -0.714)  (  0.413,   0.351,  -0.714)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 49       (  5.085,   1.582,   9.404)  (  5.086,   1.583,   9.406)  ( 0.02,  0.07,  0.02)
166:     bond    (  5.282,   5.246,   8.963)  (  5.283,   5.247,   8.965)  ( 0.01,  0.01,  0.02)
166:     angle   ( -6.276,   0.410,   3.458)  ( -6.276,   0.410,   3.458)  ( 0.01,  0.02,  0.01)
166:     strbnd  (  0.301,  -0.757,   0.046)  (  0.301,  -0.757,   0.046)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.066,   0.065,   0.001)  ( -0.066,   0.065,   0.001)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  5.844,  -3.382,  -3.063)  (  5.844,  -3.382,  -3.063)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 50       ( -4.133,  12.029,  -0.342)  ( -4.132,  12.031,  -0.341)  ( 0.02,  0.02,  0.02)
166:     bond    ( -5.002,  12.797,   0.970)  ( -5.002,  12.800,   0.970)  ( 0.01,  0.02,  0.01)
166:     angle   (  0.821,   0.446,  -1.651)  (  0.821,   0.446,  -1.650)  ( 0.03,  0.00,  0.03)
166:     strbnd  (  0.347,  -0.722,  -0.122)  (  0.347,  -0.722,  -0.122)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.174,  -0.064,  -0.056)  ( -0.174,  -0.064,  -0.056)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.125,  -0.429,   0.516)  ( -0.125,  -0.429,   0.516)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 51       ( 12.057,   2.405,  -2.800)  ( 12.060,   2.406,  -2.799)  ( 0.02,  0.02,  0.03)
166:     bond    ( 11.866,   0.949,  -3.585)  ( 11.869,   0.949,  -3.584)  ( 0.02,  0.01,  0.01)
166:     angle   ( -1.377,   2.670,  -3.852)  ( -1.377,   2.670,  -3.852)  ( 0.00,  0.02,  0.01)
166:     strbnd  ( -0.478,  -0.001,   0.072)  ( -0.478,  -0.001,   0.072)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.190,   2.069,   1.178)  (  0.190,   2.069,   1.178)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.856,  -3.282,   3.388)  (  1.856,  -3.282,   3.388)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 52       ( -7.404,  -4.012,  -9.315)  ( -7.403,  -4.011,  -9.313)  ( 0.02,  0.03,  0.02)
166:     bond    ( -6.876,  -6.421, -10.083)  ( -6.875,  -6.420, -10.081)  ( 0.01,  0.01,  0.02)
166:     angle   (  0.750,   1.477,  -1.453)  (  0.750,   1.478,  -1.453)  ( 0.03,  0.03,  0.02)
166:     strbnd  (  0.385,   0.337,   0.420)  (  0.385,   0.337,   0.420)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.909,   1.279,   0.487)  ( -1.909,   1.279,   0.487)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.246,  -0.685,   1.314)  (  0.246,  -0.685,   1.314)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 53       ( 15.405,  -4.653,   1.433)  ( 15.399,  -4.646,   1.450)  ( 0.04,  0.14,  1.21)
166:     bond    (  1.222, -10.271,   1.446)  (  1.222, -10.266,   1.446)  ( 0.00,  0.05,  0.00)
166:     angle   (  5.790,   0.964,   1.949)  (  5.790,   0.964,   1.949)  ( 0.01,  0.00,  0.01)
166:     strbnd  (  0.388,  -1.593,   0.291)  (  0.388,  -1.593,   0.291)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.646,  -0.155,  -1.646)  (  0.647,  -0.155,  -1.645)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.061,  -0.014,  -0.154)  (  0.054,  -0.013,  -0.138)  ( 0.04,  0.00,  0.26)
166:     vdw     (  4.608,   1.041,   2.666)  (  4.609,   1.041,   2.666)  ( 0.00,  0.00,  0.00)
166:     electro (  2.690,   5.376,  -3.118)  (  2.690,   5.375,  -3.118)  ( 0.00,  0.00,  0.00)
166: 54       ( -7.250, -11.027,  -1.781)  ( -7.249, -11.024,  -1.781)  ( 0.01,  0.03,  0.03)
166:     bond    ( -4.260, -12.234,  -0.605)  ( -4.260, -12.231,  -0.605)  ( 0.01,  0.02,  0.00)
166:     angle   ( -3.795,   1.395,  -1.482)  ( -3.795,   1.395,  -1.482)  ( 0.01,  0.01,  0.03)
166:     strbnd  ( -1.388,  -0.259,  -0.495)  ( -1.388,  -0.259,  -0.495)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.002,  -0.000,  -0.006)  (  0.002,  -0.000,  -0.006)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.191,   0.071,   0.806)  (  2.191,   0.071,   0.806)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 55       (-10.238,   6.128,   6.355)  (-10.237,   6.129,   6.357)  ( 0.01,  0.02,  0.02)
166:     bond    ( -7.660,   6.780,   8.104)  ( -7.659,   6.781,   8.105)  ( 0.01,  0.01,  0.01)
166:     angle   ( -3.786,  -2.269,  -1.680)  ( -3.786,  -2.268,  -1.680)  ( 0.01,  0.01,  0.02)
166:     strbnd  ( -1.833,   0.486,   0.087)  ( -1.833,   0.486,   0.087)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.040,   1.129,  -0.155)  (  3.040,   1.129,  -0.155)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 56       ( -3.327,   4.630, -12.310)  ( -3.326,   4.631, -12.307)  ( 0.02,  0.02,  0.02)
166:     bond    ( -0.179,   5.185, -12.000)  ( -0.178,   5.185, -11.998)  ( 0.00,  0.01,  0.02)
166:     angle   ( -3.994,  -2.155,  -0.872)  ( -3.993,  -2.155,  -0.872)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( -1.307,   0.375,  -1.326)  ( -1.307,   0.375,  -1.326)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.002,   0.012,   0.005)  ( -0.002,   0.012,   0.005)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.154,   1.213,   1.884)  (  2.154,   1.213,   1.884)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.449,   0.094,  -1.417)  (  0.449,   0.094,  -1.417)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.769,   1.870,   2.782)  ( -3.769,   1.870,   2.782)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 35       (  3.186,   4.348, -12.560)  (  3.187,   4.349, -12.557)  ( 0.03,  0.02,  0.02)
168:     bond    (  3.564,   5.536, -13.771)  (  3.564,   5.537, -13.769)  ( 0.01,  0.01,  0.02)
168:     angle   (  4.272,   0.896,   1.466)  (  4.273,   0.896,   1.466)  ( 0.01,  0.04,  0.01)
168:     strbnd  ( -1.404,  -0.280,   0.081)  ( -1.404,  -0.280,   0.081)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.176,  -0.765,  -0.353)  ( -0.176,  -0.765,  -0.353)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.070,  -1.039,   0.017)  ( -3.070,  -1.039,   0.017)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 36       ( 12.939,  -0.809,   0.266)  ( 12.942,  -0.808,   0.266)  ( 0.02,  0.05,  0.02)
168:     bond    ( 14.948,  -0.872,  -2.186)  ( 14.951,  -0.871,  -2.186)  ( 0.02,  0.01,  0.01)
168:     angle   ( -0.194,  -0.295,  -1.209)  ( -0.194,  -0.294,  -1.209)  ( 0.00,  0.01,  0.05)
168:     strbnd  ( -0.620,   0.104,   0.833)  ( -0.620,   0.104,   0.833)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.055,   0.235,   0.284)  (  0.055,   0.235,   0.284)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.250,   0.018,   2.544)  ( -1.250,   0.018,   2.544)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 37       ( -3.970,  10.635,   0.243)  ( -3.969,  10.638,   0.244)  ( 0.02,  0.03,  0.02)
168:     bond    ( -3.964,  14.301,  -1.740)  ( -3.964,  14.304,  -1.740)  ( 0.01,  0.02,  0.01)
168:     angle   (  0.591,  -0.040,  -1.679)  (  0.592,  -0.040,  -1.678)  ( 0.03,  0.00,  0.03)
168:     strbnd  (  0.204,  -0.463,   0.799)  (  0.204,  -0.463,   0.799)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.285,   0.262,  -0.775)  (  1.285,   0.262,  -0.775)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.086,  -3.424,   3.639)  ( -2.086,  -3.424,   3.639)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 38       ( -0.865,  -4.190,  12.257)  ( -0.865,  -4.189,  12.259)  ( 0.07,  0.02,  0.02)
168:     bond    ( -3.389,  -5.369,  13.737)  ( -3.388,  -5.369,  13.739)  ( 0.01,  0.01,  0.02)
168:     angle   ( -1.029,  -0.520,  -0.457)  ( -1.029,  -0.520,  -0.457)  ( 0.05,  0.02,  0.00)
168:     strbnd  (  0.813,   0.452,  -0.424)  (  0.813,   0.452,  -0.424)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.168,   0.305,   0.160)  (  0.168,   0.305,   0.160)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.572,   0.942,  -0.759)  (  2.572,   0.942,  -0.759)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 39       ( -2.366,  11.043,  -1.302)  ( -2.365,  11.045,  -1.301)  ( 0.04,  0.02,  0.05)
168:     bond    ( -5.175,  13.998,  -0.756)  ( -5.174,  14.001,  -0.756)  ( 0.01,  0.02,  0.01)
168:     angle   ( -1.747,  -0.629,   0.301)  ( -1.746,  -0.629,   0.301)  ( 0.03,  0.00,  0.01)
168:     strbnd  (  0.846,  -0.285,   0.215)  (  0.846,  -0.285,   0.215)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.933,  -0.284,   1.129)  ( -0.933,  -0.284,   1.129)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.643,  -1.758,  -2.190)  (  4.643,  -1.758,  -2.190)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
201/208 Test #164: test_ffmmff94_1 ..................   Passed    2.54 sec
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bhe_bzn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bhh_5cp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bhm_ab3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bhm_ahe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bhx_bhx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bi1_3bi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bi2_297.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bi4_298.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bi5_dia.sdf
168: 40       (-14.084,   0.166,   1.101)  (-14.081,   0.167,   1.102)  ( 0.02,  0.01,  0.07)
168:     bond    (-15.161,   0.766,   2.378)  (-15.158,   0.766,   2.378)  ( 0.02,  0.01,  0.01)
168:     angle   (  0.632,  -0.293,   4.123)  (  0.632,  -0.293,   4.124)  ( 0.00,  0.01,  0.01)
168:     strbnd  (  0.268,   0.146,  -1.361)  (  0.268,   0.146,  -1.361)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.102,  -0.786,  -0.394)  ( -0.102,  -0.786,  -0.394)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.279,   0.334,  -3.644)  (  0.280,   0.334,  -3.644)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 41       (  4.171, -11.140,   1.325)  (  4.172, -11.137,   1.325)  ( 0.02,  0.02,  0.06)
168:     bond    (  4.150, -14.362,   1.795)  (  4.150, -14.360,   1.795)  ( 0.01,  0.02,  0.01)
168:     angle   ( -1.040,   0.213,   4.111)  ( -1.039,   0.213,   4.111)  ( 0.04,  0.00,  0.01)
168:     strbnd  (  0.104,   0.125,  -1.337)  (  0.104,   0.125,  -1.337)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.377,  -0.373,   0.198)  ( -1.377,  -0.373,   0.198)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.335,   3.257,  -3.441)  (  2.335,   3.257,  -3.441)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 42       ( -4.567,  10.654,  -2.215)  ( -4.567,  10.656,  -2.215)  ( 0.02,  0.03,  0.03)
168:     bond    ( -3.731,  13.029,  -0.572)  ( -3.730,  13.032,  -0.572)  ( 0.01,  0.02,  0.00)
168:     angle   (  1.346,   0.459,   1.669)  (  1.346,   0.459,   1.669)  ( 0.03,  0.00,  0.03)
168:     strbnd  ( -0.246,  -0.135,  -0.322)  ( -0.246,  -0.135,  -0.322)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.006,  -0.001,   0.005)  ( -0.006,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.931,  -2.698,  -2.995)  ( -1.931,  -2.698,  -2.995)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 43       ( 11.621,  -1.350,  -2.700)  ( 11.624,  -1.349,  -2.700)  ( 0.03,  0.04,  0.02)
168:     bond    ( 13.434,  -0.728,  -1.655)  ( 13.437,  -0.728,  -1.655)  ( 0.02,  0.01,  0.01)
168:     angle   (  0.239,  -0.414,   2.123)  (  0.239,  -0.413,   2.123)  ( 0.00,  0.02,  0.02)
168:     strbnd  ( -0.632,  -0.208,  -0.263)  ( -0.633,  -0.208,  -0.263)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.014,   0.348,  -0.265)  ( -0.014,   0.348,  -0.265)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.406,  -0.348,  -2.640)  ( -1.406,  -0.348,  -2.640)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 44       ( -3.360,  -5.091,  10.354)  ( -3.359,  -5.090,  10.356)  ( 0.02,  0.02,  0.03)
168:     bond    ( -2.735,  -4.743,  12.407)  ( -2.734,  -4.742,  12.410)  ( 0.01,  0.01,  0.02)
168:     angle   (  2.115,   0.037,   0.480)  (  2.115,   0.037,   0.480)  ( 0.02,  0.00,  0.00)
168:     strbnd  ( -0.131,  -0.084,  -0.698)  ( -0.131,  -0.084,  -0.698)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.336,   0.257,   0.024)  ( -0.336,   0.257,   0.024)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.272,  -0.558,  -1.860)  ( -2.272,  -0.558,  -1.860)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 45       (  7.917,   7.582,   1.982)  (  7.919,   7.587,   1.972)  ( 0.03,  0.06,  0.48)
168:     bond    (  9.306,   9.280,   2.085)  (  9.308,   9.282,   2.085)  ( 0.02,  0.02,  0.01)
168:     angle   ( -0.825,   0.781,   0.202)  ( -0.825,   0.782,   0.202)  ( 0.03,  0.02,  0.00)
168:     strbnd  ( -0.536,  -0.577,  -0.147)  ( -0.536,  -0.577,  -0.147)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.003,   0.038,  -0.155)  ( -0.003,   0.038,  -0.155)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bi6_396.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3biz_61e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bjc_wan.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bk0_cnu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bki_fqx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bkk_kaf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bkl_kaw.sdf
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 57       ( -0.307,  -9.122,  -8.188)  ( -0.306,  -9.120,  -8.187)  ( 0.02,  0.02,  0.02)
166:     bond    (  0.825, -11.920,  -8.291)  (  0.825, -11.918,  -8.290)  ( 0.01,  0.02,  0.01)
166:     angle   (  0.266,   0.885,  -1.246)  (  0.266,   0.885,  -1.246)  ( 0.01,  0.02,  0.03)
166:     strbnd  (  0.564,   0.787,   0.734)  (  0.564,   0.787,   0.734)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.170,  -0.005,   0.024)  (  0.170,  -0.005,   0.024)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.131,   1.130,   0.592)  ( -2.131,   1.130,   0.592)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 58       (  9.212,   6.945,  -1.363)  (  9.214,   6.946,  -1.362)  ( 0.03,  0.02,  0.05)
166:     bond    ( 12.173,   6.773,  -1.368)  ( 12.175,   6.774,  -1.368)  ( 0.02,  0.01,  0.01)
166:     angle   (  0.058,  -0.350,  -1.218)  (  0.058,  -0.349,  -1.217)  ( 0.00,  0.01,  0.04)
166:     strbnd  ( -0.521,  -1.011,   0.065)  ( -0.521,  -1.011,   0.065)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.181,  -0.338,  -0.064)  (  0.181,  -0.338,  -0.064)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.678,   1.870,   1.221)  ( -2.678,   1.870,   1.222)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 59       (-10.799,  -6.712,  -0.430)  (-10.797,  -6.711,  -0.429)  ( 0.02,  0.02,  0.03)
166:     bond    (-12.830,  -7.728,   1.306)  (-12.828,  -7.727,   1.306)  ( 0.02,  0.01,  0.01)
166:     angle   (  0.385,  -0.545,   0.558)  (  0.385,  -0.545,   0.558)  ( 0.01,  0.02,  0.03)
166:     strbnd  (  0.887,   0.269,   0.033)  (  0.887,   0.269,   0.033)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.569,  -0.988,  -0.256)  (  0.569,  -0.988,  -0.256)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.191,   2.279,  -2.071)  (  0.191,   2.279,  -2.071)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 60       (  9.776,  -8.215,   3.975)  (  9.777,  -8.214,   3.976)  ( 0.02,  0.02,  0.02)
166:     bond    ( 11.330,  -9.354,   4.398)  ( 11.332,  -9.353,   4.398)  ( 0.01,  0.01,  0.01)
166:     angle   ( -0.016,   0.054,   0.154)  ( -0.015,   0.054,   0.155)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( -0.988,   0.483,  -0.237)  ( -0.988,   0.483,  -0.237)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.315,  -0.335,   0.099)  ( -0.315,  -0.335,   0.099)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.236,   0.937,  -0.438)  ( -0.236,   0.937,  -0.438)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 61       ( -1.361,  -1.860,  12.613)  ( -1.360,  -1.859,  12.616)  ( 0.04,  0.04,  0.02)
166:     bond    ( -1.242,  -3.974,  13.096)  ( -1.242,  -3.974,  13.099)  ( 0.01,  0.01,  0.02)
166:     angle   ( -0.493,   2.159,   0.609)  ( -0.492,   2.160,   0.609)  ( 0.02,  0.02,  0.00)
166:     strbnd  (  0.058,   0.509,  -0.577)  (  0.058,   0.509,  -0.577)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.242,  -0.008,   0.020)  (  0.242,  -0.008,   0.020)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.075,  -0.546,  -0.535)  (  0.075,  -0.546,  -0.535)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 62       (  9.949,   7.205,  -0.655)  (  9.951,   7.206,  -0.654)  ( 0.02,  0.02,  0.04)
166:     bond    ( 11.359,   7.334,  -1.037)  ( 11.361,   7.335,  -1.037)  ( 0.02,  0.01,  0.01)
166:     angle   ( -0.599,   1.148,   1.564)  ( -0.599,   1.148,   1.564)  ( 0.01,  0.03,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bl1_bl1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bl7_dd1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bl9_dd2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bla_dd3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3blb_swa.sdf
168:     oop     (  0.001,  -0.014,   0.060)  (  0.001,  -0.012,   0.050)  ( 0.00,  0.00,  0.06)
168:     vdw     (  0.608,  -1.936,  -0.168)  (  0.608,  -1.936,  -0.168)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.634,   0.010,   0.105)  ( -0.634,   0.010,   0.105)  ( 0.00,  0.00,  0.00)
168: 46       ( -0.949,   8.842,   2.170)  ( -0.948,   8.848,   2.157)  ( 0.07,  0.07,  0.57)
168:     bond    ( -2.236,  11.174,   2.917)  ( -2.236,  11.177,   2.918)  ( 0.01,  0.03,  0.01)
168:     angle   (  7.037,   1.340,   0.260)  (  7.038,   1.340,   0.260)  ( 0.01,  0.00,  0.00)
168:     strbnd  (  0.866,  -2.736,  -0.746)  (  0.866,  -2.736,  -0.746)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.005,  -0.155,   0.595)  (  0.005,  -0.155,   0.596)  ( 0.00,  0.00,  0.02)
168:     oop     (  0.002,  -0.022,   0.087)  (  0.001,  -0.019,   0.074)  ( 0.00,  0.01,  0.11)
168:     vdw     ( -6.676,  -0.740,  -0.917)  ( -6.676,  -0.740,  -0.917)  ( 0.00,  0.00,  0.00)
168:     electro (  0.054,  -0.019,  -0.027)  (  0.054,  -0.019,  -0.027)  ( 0.00,  0.00,  0.00)
168: 47       (  3.127,  -7.668,  -2.910)  (  3.129,  -7.675,  -2.873)  ( 0.04,  0.09,  1.26)
168:     bond    (  3.394, -11.784,  -3.276)  (  3.394, -11.781,  -3.275)  ( 0.01,  0.03,  0.01)
168:     angle   (  2.930,   0.813,   0.113)  (  2.931,   0.813,   0.113)  ( 0.02,  0.00,  0.00)
168:     strbnd  ( -0.210,   2.122,   0.663)  ( -0.210,   2.122,   0.663)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.017,   0.295,  -1.081)  ( -0.017,   0.295,  -1.080)  ( 0.00,  0.00,  0.03)
168:     oop     ( -0.001,   0.065,  -0.234)  ( -0.001,   0.055,  -0.198)  ( 0.00,  0.06,  0.85)
168:     vdw     ( -3.105,   0.175,   0.934)  ( -3.105,   0.175,   0.934)  ( 0.01,  0.00,  0.00)
168:     electro (  0.137,   0.646,  -0.030)  (  0.137,   0.646,  -0.030)  ( 0.00,  0.00,  0.00)
168: 48       (-12.816,  -1.854,   2.520)  (-12.814,  -1.854,   2.521)  ( 0.02,  0.04,  0.03)
168:     bond    (-14.576,  -0.381,   3.434)  (-14.573,  -0.381,   3.434)  ( 0.02,  0.00,  0.01)
168:     angle   (  0.009,  -1.112,  -0.086)  (  0.009,  -1.111,  -0.085)  ( 0.00,  0.06,  0.00)
168:     strbnd  (  1.318,  -0.737,  -0.196)  (  1.318,  -0.737,  -0.196)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.019,   0.024,   0.082)  (  0.019,   0.024,   0.082)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.413,   0.351,  -0.714)  (  0.413,   0.351,  -0.714)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 49       (  5.085,   1.582,   9.404)  (  5.086,   1.583,   9.406)  ( 0.02,  0.07,  0.02)
168:     bond    (  5.282,   5.246,   8.963)  (  5.283,   5.247,   8.965)  ( 0.01,  0.01,  0.02)
168:     angle   ( -6.276,   0.410,   3.458)  ( -6.276,   0.410,   3.458)  ( 0.01,  0.02,  0.01)
168:     strbnd  (  0.301,  -0.757,   0.046)  (  0.301,  -0.757,   0.046)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.066,   0.065,   0.001)  ( -0.066,   0.065,   0.001)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.844,  -3.382,  -3.063)  (  5.844,  -3.382,  -3.063)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 50       ( -4.133,  12.029,  -0.342)  ( -4.132,  12.031,  -0.341)  ( 0.02,  0.02,  0.02)
168:     bond    ( -5.002,  12.797,   0.970)  ( -5.002,  12.800,   0.970)  ( 0.01,  0.02,  0.01)
168:     angle   (  0.821,   0.446,  -1.651)  (  0.821,   0.446,  -1.650)  ( 0.03,  0.00,  0.03)
168:     strbnd  (  0.347,  -0.722,  -0.122)  (  0.347,  -0.722,  -0.122)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.174,  -0.064,  -0.056)  ( -0.174,  -0.064,  -0.056)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.125,  -0.429,   0.516)  ( -0.125,  -0.429,   0.516)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 51       ( 12.057,   2.405,  -2.800)  ( 12.060,   2.406,  -2.799)  ( 0.02,  0.02,  0.03)
168:     bond    ( 11.866,   0.949,  -3.585)  ( 11.869,   0.949,  -3.584)  ( 0.02,  0.01,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bll_bpq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3blq_atp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3blr_cpb.sdf
166:     strbnd  ( -0.498,  -0.036,   0.239)  ( -0.498,  -0.036,   0.239)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.089,  -0.116,   0.153)  (  0.089,  -0.116,   0.153)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.402,  -1.125,  -1.573)  ( -0.402,  -1.125,  -1.573)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 63       ( -9.227,   7.918,  -3.842)  ( -9.225,   7.919,  -3.841)  ( 0.02,  0.02,  0.02)
166:     bond    (-10.234,   7.920,  -2.677)  (-10.232,   7.921,  -2.677)  ( 0.02,  0.01,  0.01)
166:     angle   (  0.410,   1.448,   2.720)  (  0.410,   1.449,   2.720)  ( 0.01,  0.02,  0.02)
166:     strbnd  (  0.495,  -0.112,   0.334)  (  0.495,  -0.112,   0.334)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.316,  -0.287,   0.358)  ( -0.316,  -0.287,   0.358)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.419,  -1.051,  -4.577)  (  0.419,  -1.051,  -4.577)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: ok 36 # gradients 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bmy_cxz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bnm_spj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bnu_spz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bnz_c16.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bpr_olp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bqd_day.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bqf_ssm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bqm_bqm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bqn_bqn.sdf
202/208 Test #166: test_ffmmff94_3 ..................   Passed    2.55 sec
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bqr_4rb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3br0_mgr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3br9_dey.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bsa_1pd.sdf
168:     angle   ( -1.377,   2.670,  -3.852)  ( -1.377,   2.670,  -3.852)  ( 0.00,  0.02,  0.01)
168:     strbnd  ( -0.478,  -0.001,   0.072)  ( -0.478,  -0.001,   0.072)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.190,   2.069,   1.178)  (  0.190,   2.069,   1.178)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.856,  -3.282,   3.388)  (  1.856,  -3.282,   3.388)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 52       ( -7.404,  -4.012,  -9.315)  ( -7.403,  -4.011,  -9.313)  ( 0.02,  0.03,  0.02)
168:     bond    ( -6.876,  -6.421, -10.083)  ( -6.875,  -6.420, -10.081)  ( 0.01,  0.01,  0.02)
168:     angle   (  0.750,   1.477,  -1.453)  (  0.750,   1.478,  -1.453)  ( 0.03,  0.03,  0.02)
168:     strbnd  (  0.385,   0.337,   0.420)  (  0.385,   0.337,   0.420)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.909,   1.279,   0.487)  ( -1.909,   1.279,   0.487)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.246,  -0.685,   1.314)  (  0.246,  -0.685,   1.314)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 53       ( 13.213,  -8.643,   4.216)  ( 13.227,  -8.641,   4.183)  ( 0.11,  0.02,  0.79)
168:     bond    (  1.222, -10.271,   1.446)  (  1.222, -10.266,   1.446)  ( 0.00,  0.05,  0.00)
168:     angle   (  5.790,   0.964,   1.949)  (  5.790,   0.964,   1.949)  ( 0.01,  0.00,  0.01)
168:     strbnd  (  0.388,  -1.593,   0.291)  (  0.388,  -1.593,   0.291)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.654,  -0.156,  -1.664)  (  0.654,  -0.156,  -1.664)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.122,   0.029,   0.309)  ( -0.108,   0.026,   0.275)  ( 0.16,  0.01,  1.04)
168:     vdw     (  4.608,   1.041,   2.666)  (  4.609,   1.041,   2.666)  ( 0.00,  0.00,  0.00)
168:     electro (  0.672,   1.344,  -0.779)  (  0.672,   1.344,  -0.779)  ( 0.00,  0.00,  0.00)
168: 54       ( -7.250, -11.027,  -1.781)  ( -7.249, -11.024,  -1.781)  ( 0.01,  0.03,  0.03)
168:     bond    ( -4.260, -12.234,  -0.605)  ( -4.260, -12.231,  -0.605)  ( 0.01,  0.02,  0.00)
168:     angle   ( -3.795,   1.395,  -1.482)  ( -3.795,   1.395,  -1.482)  ( 0.01,  0.01,  0.03)
168:     strbnd  ( -1.388,  -0.259,  -0.495)  ( -1.388,  -0.259,  -0.495)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.002,  -0.000,  -0.006)  (  0.002,  -0.000,  -0.006)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.191,   0.071,   0.806)  (  2.191,   0.071,   0.806)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 55       (-10.238,   6.128,   6.355)  (-10.237,   6.129,   6.357)  ( 0.01,  0.02,  0.02)
168:     bond    ( -7.660,   6.780,   8.104)  ( -7.659,   6.781,   8.105)  ( 0.01,  0.01,  0.01)
168:     angle   ( -3.786,  -2.269,  -1.680)  ( -3.786,  -2.268,  -1.680)  ( 0.01,  0.01,  0.02)
168:     strbnd  ( -1.833,   0.486,   0.087)  ( -1.833,   0.486,   0.087)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.040,   1.129,  -0.155)  (  3.040,   1.129,  -0.155)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 56       ( -3.327,   4.630, -12.310)  ( -3.326,   4.631, -12.307)  ( 0.02,  0.02,  0.02)
168:     bond    ( -0.179,   5.185, -12.000)  ( -0.178,   5.185, -11.998)  ( 0.00,  0.01,  0.02)
168:     angle   ( -3.994,  -2.155,  -0.872)  ( -3.993,  -2.155,  -0.872)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( -1.307,   0.375,  -1.326)  ( -1.307,   0.375,  -1.326)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.002,   0.012,   0.005)  ( -0.002,   0.012,   0.005)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.154,   1.213,   1.884)  (  2.154,   1.213,   1.884)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bsc_2pd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3btj_deq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bto_ssb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bvt_wz1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bvu_wz2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bvv_wz3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bvw_wz4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bvx_wz5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bxg_bg6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bym_am0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3byo_am9.sdf
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 57       ( -0.307,  -9.122,  -8.188)  ( -0.306,  -9.120,  -8.187)  ( 0.02,  0.02,  0.02)
168:     bond    (  0.825, -11.920,  -8.291)  (  0.825, -11.918,  -8.290)  ( 0.01,  0.02,  0.01)
168:     angle   (  0.266,   0.885,  -1.246)  (  0.266,   0.885,  -1.246)  ( 0.01,  0.02,  0.03)
168:     strbnd  (  0.564,   0.787,   0.734)  (  0.564,   0.787,   0.734)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.170,  -0.005,   0.024)  (  0.170,  -0.005,   0.024)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.131,   1.130,   0.592)  ( -2.131,   1.130,   0.592)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 58       (  9.212,   6.945,  -1.363)  (  9.214,   6.946,  -1.362)  ( 0.03,  0.02,  0.05)
168:     bond    ( 12.173,   6.773,  -1.368)  ( 12.175,   6.774,  -1.368)  ( 0.02,  0.01,  0.01)
168:     angle   (  0.058,  -0.350,  -1.218)  (  0.058,  -0.349,  -1.217)  ( 0.00,  0.01,  0.04)
168:     strbnd  ( -0.521,  -1.011,   0.065)  ( -0.521,  -1.011,   0.065)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.181,  -0.338,  -0.064)  (  0.181,  -0.338,  -0.064)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.678,   1.870,   1.221)  ( -2.678,   1.870,   1.222)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 59       (-10.799,  -6.712,  -0.430)  (-10.797,  -6.711,  -0.429)  ( 0.02,  0.02,  0.03)
168:     bond    (-12.830,  -7.728,   1.306)  (-12.828,  -7.727,   1.306)  ( 0.02,  0.01,  0.01)
168:     angle   (  0.385,  -0.545,   0.558)  (  0.385,  -0.545,   0.558)  ( 0.01,  0.02,  0.03)
168:     strbnd  (  0.887,   0.269,   0.033)  (  0.887,   0.269,   0.033)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.569,  -0.988,  -0.256)  (  0.569,  -0.988,  -0.256)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.191,   2.279,  -2.071)  (  0.191,   2.279,  -2.071)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 60       (  9.776,  -8.215,   3.975)  (  9.777,  -8.214,   3.976)  ( 0.02,  0.02,  0.02)
168:     bond    ( 11.330,  -9.354,   4.398)  ( 11.332,  -9.353,   4.398)  ( 0.01,  0.01,  0.01)
168:     angle   ( -0.016,   0.054,   0.154)  ( -0.015,   0.054,   0.155)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( -0.988,   0.483,  -0.237)  ( -0.988,   0.483,  -0.237)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.315,  -0.335,   0.099)  ( -0.315,  -0.335,   0.099)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.236,   0.937,  -0.438)  ( -0.236,   0.937,  -0.438)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 61       ( -1.361,  -1.860,  12.613)  ( -1.360,  -1.859,  12.616)  ( 0.04,  0.04,  0.02)
168:     bond    ( -1.242,  -3.974,  13.096)  ( -1.242,  -3.974,  13.099)  ( 0.01,  0.01,  0.02)
168:     angle   ( -0.493,   2.159,   0.609)  ( -0.492,   2.160,   0.609)  ( 0.02,  0.02,  0.00)
168:     strbnd  (  0.058,   0.509,  -0.577)  (  0.058,   0.509,  -0.577)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.242,  -0.008,   0.020)  (  0.242,  -0.008,   0.020)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.075,  -0.546,  -0.535)  (  0.075,  -0.546,  -0.535)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 62       (  9.949,   7.205,  -0.655)  (  9.951,   7.206,  -0.654)  ( 0.02,  0.02,  0.04)
168:     bond    ( 11.359,   7.334,  -1.037)  ( 11.361,   7.335,  -1.037)  ( 0.02,  0.01,  0.01)
168:     angle   ( -0.599,   1.148,   1.564)  ( -0.599,   1.148,   1.564)  ( 0.01,  0.03,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bys_am5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3byu_am6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3byx_c00.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3byz_h11.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bz7_bl4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bz8_bl6.sdf
168:     strbnd  ( -0.498,  -0.036,   0.239)  ( -0.498,  -0.036,   0.239)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.089,  -0.116,   0.153)  (  0.089,  -0.116,   0.153)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.402,  -1.125,  -1.573)  ( -0.402,  -1.125,  -1.573)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 63       ( -9.227,   7.918,  -3.842)  ( -9.225,   7.919,  -3.841)  ( 0.02,  0.02,  0.02)
168:     bond    (-10.234,   7.920,  -2.677)  (-10.232,   7.921,  -2.677)  ( 0.02,  0.01,  0.01)
168:     angle   (  0.410,   1.448,   2.720)  (  0.410,   1.449,   2.720)  ( 0.01,  0.02,  0.02)
168:     strbnd  (  0.495,  -0.112,   0.334)  (  0.495,  -0.112,   0.334)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.316,  -0.287,   0.358)  ( -0.316,  -0.287,   0.358)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.419,  -1.051,  -4.577)  (  0.419,  -1.051,  -4.577)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: ok 36 # gradients 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bz9_bl7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bzu_a21.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c06_14c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c1k_t15.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c1x_ckk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c2y_s60.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c3u_c2u.sdf
203/208 Test #168: test_ffmmff94_5 ..................   Passed    2.55 sec
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c43_315.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c45_317.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c49_ku8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c4e_c4e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c4f_c4f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c4h_drl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c56_ph4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c6n_2s8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c6p_2s3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c6t_m14.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c6u_m22.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c72_cx1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c7i_tvn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c7p_pof.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c9t_tps.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cak_efs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cav_ci2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cbf_n5f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cbl_stu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cbp_sfg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cbs_r12.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ccb_b2y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ccc_7ac.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ccn_lkg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cct_3hi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ccw_4hi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ccz_5hi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cd0_6hi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cd5_7hi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cd8_l5g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cda_8hi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cdb_9hi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cde_n3h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ce3_1fn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ceh_ave.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cej_avf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cem_avd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cen_fxa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cf6_sp1.sdf
15: /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cf9_agi.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ls1_73z.sdf
198: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:1: SyntaxWarning: invalid escape sequence '\P'
198:   """Test OpenBabel executables from Python
198: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:101: SyntaxWarning: invalid escape sequence '\d'
198:   pat = "(-?\d.*) molecule(?:s?) converted"
198: ......./usr/lib64/python3.13/subprocess.py:1022: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
198:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
198: /usr/lib64/python3.13/subprocess.py:1028: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
198:   self.stdout = io.open(c2pread, 'rb', bufsize)
198: /usr/lib64/python3.13/subprocess.py:1033: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
198:   self.stderr = io.open(errread, 'rb', bufsize)
198: ......
198: ----------------------------------------------------------------------
198: Ran 13 tests in 4.905s
198: 
198: OK
198: 
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206/208 Test #198: pytest_babel .....................   Passed    5.01 sec
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208: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testroundtrip.py:1: SyntaxWarning: invalid escape sequence '\P'
208:   """Test the ability of openbabel to roundtrip various properties
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: /usr/lib64/python3.13/multiprocessing/pool.py:268: ResourceWarning: unclosed running multiprocessing pool <multiprocessing.pool.Pool state=RUN pool_size=1>
208:   _warn(f"unclosed running multiprocessing pool {self!r}",
208: ResourceWarning: Enable tracemalloc to get the object allocation traceback
208: .
208: ----------------------------------------------------------------------
208: Ran 1 test in 104.475s
208: 
208: OK
208: 
208/208 Test #208: pybindtest_roundtrip .............   Passed  104.71 sec
The following tests passed:
	test_align_1
	test_align_2
	test_align_3
	test_alias_1
	test_automorphism_1
	test_automorphism_2
	test_automorphism_3
	test_automorphism_4
	test_automorphism_5
	test_automorphism_6
	test_automorphism_7
	test_automorphism_8
	test_automorphism_9
	test_automorphism_10
	test_builder_3
	test_builder_4
	test_builder_5
	test_builder_6
	test_canonconsistent_2
	test_canonconsistent_3
	test_canonfragment_1
	test_carspacegroup_1
	test_cifspacegroup_3
	test_cistrans_1
	test_cistrans_2
	test_cistrans_3
	test_cistrans_4
	test_cistrans_5
	test_cistrans_6
	test_cistrans_7
	test_cistrans_8
	test_cistrans_9
	test_conversion_1
	test_graphsym_1
	test_graphsym_2
	test_graphsym_3
	test_graphsym_5
	test_periodic_1
	test_periodic_2
	test_graphsym_4
	test_periodic_4
	test_canonconsistent_1
	test_carspacegroup_2
	test_carspacegroup_3
	test_carspacegroup_4
	test_cifspacegroup_1
	test_cifspacegroup_2
	test_cifspacegroup_4
	test_cifspacegroup_5
	test_cifspacegroup_6
	test_cifspacegroup_7
	test_cifspacegroup_9
	test_cifspacegroup_10
	test_cifspacegroup_11
	test_cifspacegroup_13
	test_implicitH_1
	test_lssr_1
	test_lssr_5
	test_isomorphism_1
	test_isomorphism_2
	test_isomorphism_3
	test_isomorphism_4
	test_isomorphism_5
	test_isomorphism_6
	test_isomorphism_7
	test_isomorphism_8
	test_isomorphism_9
	test_multicml_1
	test_periodic_3
	test_regressions_222
	test_regressions_223
	test_regressions_224
	test_rotor_1
	test_rotor_2
	test_rotor_3
	test_rotor_4
	test_shuffle_4
	test_smiles_1
	test_smiles_2
	test_smiles_3
	test_spectrophore_2
	test_spectrophore_3
	test_spectrophore_4
	test_spectrophore_5
	test_squareplanar_1
	test_squareplanar_2
	test_squareplanar_3
	test_squareplanar_4
	test_squareplanar_5
	test_stereo_1
	test_stereo_2
	test_stereo_3
	test_stereo_4
	test_stereo_5
	test_cifspacegroup_8
	test_cifspacegroup_12
	test_builder_2
	test_gzip_1
	test_shuffle_1
	test_shuffle_3
	test_shuffle_5
	test_stereo_6
	test_stereoperception_1
	test_stereoperception_2
	test_stereoperception_3
	test_stereoperception_4
	test_tautomer_1
	test_tautomer_2
	test_tautomer_3
	test_tautomer_4
	test_tautomer_5
	test_tautomer_6
	test_tautomer_7
	test_tautomer_8
	test_tautomer_9
	test_tautomer_10
	test_tautomer_11
	test_tautomer_12
	test_tautomer_13
	test_tautomer_14
	test_tautomer_15
	test_tautomer_16
	test_tautomer_17
	test_tautomer_18
	test_tautomer_19
	test_tautomer_20
	test_tautomer_21
	test_tautomer_22
	test_tautomer_23
	test_tautomer_24
	test_tautomer_25
	test_tautomer_26
	test_tautomer_27
	test_tautomer_28
	test_tetrahedral_1
	test_tetrahedral_2
	test_tetrahedral_3
	test_tetrahedral_4
	test_tetrahedral_5
	test_tetranonplanar_1
	test_tetraplanar_1
	test_uniqueid_1
	test_uniqueid_2
	test_aromatest_1
	test_atom_1
	test_atom_2
	test_atom_3
	test_atom_4
	test_bond_1
	test_datatest_1
	test_ffmmff94_6
	test_shuffle_2
	test_charge_mmff94_1
	test_charge_gasteiger_1
	test_formalcharge_1
	test_formula_1
	test_internalcoord_1
	test_format_1
	test_spectrophore_1
	test_lssr_3
	test_cansmi_1
	test_invalidsmarts_1
	test_invalidsmiles_1
	test_iterators_1
	test_logp_psa_1
	test_math_3
	test_mol_1
	test_pdbreadfile_1
	test_pdbreadfile_2
	test_pdbreadfile_3
	test_pdbreadfile_4
	test_phmodel_1
	test_residue_1
	test_smartsparse_1
	test_unitcell_1
	test_ffmmff94_2
	test_ffmmff94_4
	test_smartstest_1
	test_smilesmatch_1
	pytest_fastsearch
	pytest_unique
	pytest_pdbformat
	pybindtest__pybel
	pybindtest_example
	test_cmlreadfile_1
	pybindtest_cdjsonformat
	pybindtest_pcjsonformat
	inchiSamples.sdf_Test
	inchiSamplesTechMan.sdf_Test
	test_lssr_4
	test_lssr_2
	test_math_4
	test_ringtest_1
	pytest_kekule
	test_ffghemical_1
	test_math_1
	test_math_2
	pytest_smartssym
	test_ffgaff_1
	test_ffuff_1
	test_ffmmff94_1
	test_ffmmff94_3
	test_ffmmff94_5
	test_builder_1
	test_canonstable_1
	pytest_babel
	test_addh_1
	pybindtest_roundtrip
100% tests passed, 0 tests failed out of 208
Total Test time (real) = 105.36 sec
+ RPM_EC=0
++ jobs -p
+ exit 0
Processing files: openbabel-3.1.1-32.fc42.aarch64
warning: File listed twice: /usr/lib/.build-id/12/7b7c0ab8a3cdca063d168bce34091d113d6793
Provides: config(openbabel) = 3.1.1-32.fc42 openbabel = 3.1.1-32.fc42 openbabel(aarch-64) = 3.1.1-32.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: ld-linux-aarch64.so.1()(64bit) ld-linux-aarch64.so.1(GLIBC_2.17)(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.17)(64bit) libc.so.6(GLIBC_2.32)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_2.38)(64bit) libc.so.6(GLIBC_ABI_DT_RELR)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libopenbabel.so.7()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.15)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) rtld(GNU_HASH)
Processing files: openbabel-devel-3.1.1-32.fc42.aarch64
Provides: cmake(OpenBabel3) = 3.1.1 cmake(openbabel3) = 3.1.1 openbabel-devel = 3.1.1-32.fc42 openbabel-devel(aarch-64) = 3.1.1-32.fc42 pkgconfig(openbabel-3) = 3.1.1
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: /usr/bin/pkg-config cmake-filesystem(aarch-64) libopenbabel.so.7()(64bit)
Processing files: openbabel-doc-3.1.1-32.fc42.noarch
Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.Yy0f8N
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ cd openbabel-openbabel-3-1-1
+ DOCDIR=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ export LC_ALL=C.UTF-8
+ LC_ALL=C.UTF-8
+ export DOCDIR
+ /usr/bin/mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/FAQ.html /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/OBTwoMigration.html /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/OpenBabelGUI.html /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/api-footer.html /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/api-header.html /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/README.dioxin.pov /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/README.povray /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/dioxin.inc /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/dioxin.mol2 /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/dioxin.png /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/dioxin.pov /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ RPM_EC=0
++ jobs -p
+ exit 0
Provides: openbabel-doc = 3.1.1-32.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Processing files: openbabel-gui-3.1.1-32.fc42.aarch64
Provides: application() application(obgui.desktop) openbabel-gui = 3.1.1-32.fc42 openbabel-gui(aarch-64) = 3.1.1-32.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: ld-linux-aarch64.so.1()(64bit) ld-linux-aarch64.so.1(GLIBC_2.17)(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.17)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_ABI_DT_RELR)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libopenbabel.so.7()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) libwx_baseu-3.2.so.0()(64bit) libwx_baseu-3.2.so.0(WXU_3.2)(64bit) libwx_gtk3u_core-3.2.so.0()(64bit) libwx_gtk3u_core-3.2.so.0(WXU_3.2)(64bit) rtld(GNU_HASH)
Processing files: openbabel-libs-3.1.1-32.fc42.aarch64
Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.QAFqp3
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ cd openbabel-openbabel-3-1-1
+ DOCDIR=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ export LC_ALL=C.UTF-8
+ LC_ALL=C.UTF-8
+ export DOCDIR
+ /usr/bin/mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/THANKS /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/AUTHORS /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/authors.txt /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/README.md /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.VIUIbX
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ cd openbabel-openbabel-3-1-1
+ LICENSEDIR=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/licenses/openbabel-libs
+ export LC_ALL=C.UTF-8
+ LC_ALL=C.UTF-8
+ export LICENSEDIR
+ /usr/bin/mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/licenses/openbabel-libs
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/COPYING /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/licenses/openbabel-libs
+ RPM_EC=0
++ jobs -p
+ exit 0
Provides: libopenbabel.so.7()(64bit) openbabel-libs = 3.1.1-32.fc42 openbabel-libs(aarch-64) = 3.1.1-32.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: ld-linux-aarch64.so.1()(64bit) ld-linux-aarch64.so.1(GLIBC_2.17)(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.17)(64bit) libc.so.6(GLIBC_2.32)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_2.38)(64bit) libc.so.6(GLIBC_ABI_DT_RELR)(64bit) libcairo.so.2()(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libinchi.so.1()(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.17)(64bit) libm.so.6(GLIBC_2.29)(64bit) libm.so.6(GLIBC_2.38)(64bit) libopenbabel.so.7()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(CXXABI_1.3.15)(64bit) libstdc++.so.6(CXXABI_1.3.7)(64bit) libstdc++.so.6(CXXABI_1.3.8)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.15)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.26)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.5)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) libxml2.so.2()(64bit) libxml2.so.2(LIBXML2_2.4.30)(64bit) libxml2.so.2(LIBXML2_2.5.0)(64bit) libxml2.so.2(LIBXML2_2.6.0)(64bit) libxml2.so.2(LIBXML2_2.6.5)(64bit) libz.so.1()(64bit) rtld(GNU_HASH)
Processing files: perl-openbabel-3.1.1-32.fc42.aarch64
Provides: perl(Chemistry::OpenBabel) perl(Chemistry::OpenBabel::AliasData) perl(Chemistry::OpenBabel::CharPtrLess) perl(Chemistry::OpenBabel::Dummy) perl(Chemistry::OpenBabel::LineSearchType) perl(Chemistry::OpenBabel::OBAngle) perl(Chemistry::OpenBabel::OBAngleData) perl(Chemistry::OpenBabel::OBAtom) perl(Chemistry::OpenBabel::OBAtomAtomIter) perl(Chemistry::OpenBabel::OBAtomBondIter) perl(Chemistry::OpenBabel::OBAtomHOF) perl(Chemistry::OpenBabel::OBAtomicHeatOfFormationTable) perl(Chemistry::OpenBabel::OBBase) perl(Chemistry::OpenBabel::OBBitVec) perl(Chemistry::OpenBabel::OBBond) perl(Chemistry::OpenBabel::OBBuilder) perl(Chemistry::OpenBabel::OBCommentData) perl(Chemistry::OpenBabel::OBConformerData) perl(Chemistry::OpenBabel::OBConversion) perl(Chemistry::OpenBabel::OBDOSData) perl(Chemistry::OpenBabel::OBDescriptor) perl(Chemistry::OpenBabel::OBElectronicTransitionData) perl(Chemistry::OpenBabel::OBError) perl(Chemistry::OpenBabel::OBExternalBond) perl(Chemistry::OpenBabel::OBExternalBondData) perl(Chemistry::OpenBabel::OBFFCalculation2) perl(Chemistry::OpenBabel::OBFFCalculation3) perl(Chemistry::OpenBabel::OBFFCalculation4) perl(Chemistry::OpenBabel::OBFFConstraint) perl(Chemistry::OpenBabel::OBFFConstraints) perl(Chemistry::OpenBabel::OBFFParameter) perl(Chemistry::OpenBabel::OBFingerprintIter) perl(Chemistry::OpenBabel::OBForceField) perl(Chemistry::OpenBabel::OBFormat) perl(Chemistry::OpenBabel::OBFreeGrid) perl(Chemistry::OpenBabel::OBFreeGridPoint) perl(Chemistry::OpenBabel::OBGenericData) perl(Chemistry::OpenBabel::OBGlobalDataBase) perl(Chemistry::OpenBabel::OBGridData) perl(Chemistry::OpenBabel::OBInternalCoord) perl(Chemistry::OpenBabel::OBMatrixData) perl(Chemistry::OpenBabel::OBMessageHandler) perl(Chemistry::OpenBabel::OBMol) perl(Chemistry::OpenBabel::OBMolAngleIter) perl(Chemistry::OpenBabel::OBMolAtomBFSIter) perl(Chemistry::OpenBabel::OBMolAtomDFSIter) perl(Chemistry::OpenBabel::OBMolAtomIter) perl(Chemistry::OpenBabel::OBMolBondBFSIter) perl(Chemistry::OpenBabel::OBMolBondIter) perl(Chemistry::OpenBabel::OBMolPairIter) perl(Chemistry::OpenBabel::OBMolRingIter) perl(Chemistry::OpenBabel::OBMolTorsionIter) perl(Chemistry::OpenBabel::OBOp) perl(Chemistry::OpenBabel::OBOrbital) perl(Chemistry::OpenBabel::OBOrbitalData) perl(Chemistry::OpenBabel::OBPairData) perl(Chemistry::OpenBabel::OBPcharge) perl(Chemistry::OpenBabel::OBPlugin) perl(Chemistry::OpenBabel::OBRTree) perl(Chemistry::OpenBabel::OBResidue) perl(Chemistry::OpenBabel::OBResidueAtomIter) perl(Chemistry::OpenBabel::OBResidueData) perl(Chemistry::OpenBabel::OBResidueIter) perl(Chemistry::OpenBabel::OBRing) perl(Chemistry::OpenBabel::OBRingData) perl(Chemistry::OpenBabel::OBRingSearch) perl(Chemistry::OpenBabel::OBRotamerList) perl(Chemistry::OpenBabel::OBRotationData) perl(Chemistry::OpenBabel::OBRotor) perl(Chemistry::OpenBabel::OBRotorKeys) perl(Chemistry::OpenBabel::OBRotorList) perl(Chemistry::OpenBabel::OBRotorRule) perl(Chemistry::OpenBabel::OBRotorRules) perl(Chemistry::OpenBabel::OBSSMatch) perl(Chemistry::OpenBabel::OBSerialNums) perl(Chemistry::OpenBabel::OBSetData) perl(Chemistry::OpenBabel::OBSmartsMatcher) perl(Chemistry::OpenBabel::OBSmartsPattern) perl(Chemistry::OpenBabel::OBSqrtTbl) perl(Chemistry::OpenBabel::OBStopwatch) perl(Chemistry::OpenBabel::OBSymmetryData) perl(Chemistry::OpenBabel::OBTorsion) perl(Chemistry::OpenBabel::OBTorsionData) perl(Chemistry::OpenBabel::OBTypeTable) perl(Chemistry::OpenBabel::OBUnitCell) perl(Chemistry::OpenBabel::OBVectorData) perl(Chemistry::OpenBabel::OBVibrationData) perl(Chemistry::OpenBabel::OBVirtualBond) perl(Chemistry::OpenBabel::VectorDouble) perl(Chemistry::OpenBabel::VectorInt) perl(Chemistry::OpenBabel::VectorOBBond) perl(Chemistry::OpenBabel::VectorOBMol) perl(Chemistry::OpenBabel::VectorOBResidue) perl(Chemistry::OpenBabel::VectorOBRing) perl(Chemistry::OpenBabel::VectorString) perl(Chemistry::OpenBabel::VectorUnsignedInt) perl(Chemistry::OpenBabel::VectorVInt) perl(Chemistry::OpenBabel::VectorVector3) perl(Chemistry::OpenBabel::VectorpOBGenericData) perl(Chemistry::OpenBabel::VectorpOBRing) perl(Chemistry::OpenBabel::_OBAtomAtomIter) perl(Chemistry::OpenBabel::_OBAtomBondIter) perl(Chemistry::OpenBabel::_OBMolAngleIter) perl(Chemistry::OpenBabel::_OBMolAtomBFSIter) perl(Chemistry::OpenBabel::_OBMolAtomDFSIter) perl(Chemistry::OpenBabel::_OBMolAtomIter) perl(Chemistry::OpenBabel::_OBMolBondIter) perl(Chemistry::OpenBabel::_OBMolPairIter) perl(Chemistry::OpenBabel::_OBMolRingIter) perl(Chemistry::OpenBabel::_OBMolTorsionIter) perl(Chemistry::OpenBabel::_OBResidueAtomIter) perl(Chemistry::OpenBabel::matrix3x3) perl(Chemistry::OpenBabel::obLogBuf) perl(Chemistry::OpenBabel::rotor_digit) perl(Chemistry::OpenBabel::stringbuf) perl(Chemistry::OpenBabel::vector3) perl(Chemistry::OpenBabelc) perl-openbabel = 3.1.1-32.fc42 perl-openbabel(aarch-64) = 3.1.1-32.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: ld-linux-aarch64.so.1()(64bit) ld-linux-aarch64.so.1(GLIBC_2.17)(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.17)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_2.38)(64bit) libc.so.6(GLIBC_ABI_DT_RELR)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.17)(64bit) libopenbabel.so.7()(64bit) libperl.so.5.40()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(CXXABI_1.3.15)(64bit) libstdc++.so.6(CXXABI_1.3.8)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) perl(:MODULE_COMPAT_5.40.1) perl(DynaLoader) perl(Exporter) perl(base) perl(overload) perl(vars) perl-libs rtld(GNU_HASH)
Processing files: python3-openbabel-3.1.1-32.fc42.aarch64
Provides: python-openbabel = 3.1.1-32.fc42 python3-openbabel = 3.1.1-32.fc42 python3-openbabel(aarch-64) = 3.1.1-32.fc42 python3.13-openbabel = 3.1.1-32.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PartialHardlinkSets) <= 4.0.4-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: ld-linux-aarch64.so.1()(64bit) ld-linux-aarch64.so.1(GLIBC_2.17)(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.17)(64bit) libc.so.6(GLIBC_2.32)(64bit) libc.so.6(GLIBC_ABI_DT_RELR)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.17)(64bit) libopenbabel.so.7()(64bit) libpython3.13.so.1.0()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(CXXABI_1.3.15)(64bit) libstdc++.so.6(CXXABI_1.3.8)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) python(abi) = 3.13 rtld(GNU_HASH)
Obsoletes: python-openbabel < 3.1.1-32.fc42 python2-openbabel < 0:3.1.1-32.fc42
Processing files: ruby-openbabel-3.1.1-32.fc42.aarch64
Provides: ruby-openbabel = 3.1.1-32.fc42 ruby-openbabel(aarch-64) = 3.1.1-32.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: ld-linux-aarch64.so.1()(64bit) ld-linux-aarch64.so.1(GLIBC_2.17)(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.17)(64bit) libc.so.6(GLIBC_2.32)(64bit) libc.so.6(GLIBC_ABI_DT_RELR)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.17)(64bit) libopenbabel.so.7()(64bit) libruby.so.3.4()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(CXXABI_1.3.15)(64bit) libstdc++.so.6(CXXABI_1.3.8)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) rtld(GNU_HASH)
Processing files: openbabel-debugsource-3.1.1-32.fc42.aarch64
Provides: openbabel-debugsource = 3.1.1-32.fc42 openbabel-debugsource(aarch-64) = 3.1.1-32.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Processing files: openbabel-debuginfo-3.1.1-32.fc42.aarch64
Provides: debuginfo(build-id) = 0c3fc844fcf1c1577bfeb2b0abbb080cc2070bea debuginfo(build-id) = 0ce7da90eb82205693491caf8aaeb33ab57d5b5f debuginfo(build-id) = 127b7c0ab8a3cdca063d168bce34091d113d6793 debuginfo(build-id) = 19c752e0292c6357a5e3e478ff579275f2126fe5 debuginfo(build-id) = 1c0728a4f1a1cdd79ccb54a3e4c9f26783a37953 debuginfo(build-id) = 40da3282f64c5eb6439d2d0f9e62650aa040dee5 debuginfo(build-id) = 4e5073bc7c49e3ff74216d1aa2a1258b556b2e4b debuginfo(build-id) = 5ab39cd0ad5eda3c4bc91d3898d20ee562999feb debuginfo(build-id) = 69157681c9d89fd99faae06d40b0aba3b52227a6 debuginfo(build-id) = 6cff9c18f1dcad913be6b9553a03af3bf4292c8d debuginfo(build-id) = 77782409b83a9606342958192457709d3ce1dd80 debuginfo(build-id) = 7a548c5a57f6d77c5e3e715c3ef17e75060ee040 debuginfo(build-id) = 920e8c14f6b4ce655237be0a1076029fa5e19537 debuginfo(build-id) = 94aa7d76aafcac85daf513a3b9e91f6730b956b8 debuginfo(build-id) = 953e8eb439e6f98e1fcd821b14250a8fbb28eb97 debuginfo(build-id) = af695d9605627b9583da69b9685a294616333e3c debuginfo(build-id) = da5fd828f97e4cc1004e13520ed3020fe92710cb debuginfo(build-id) = df199f4b4a52ffebed84f8b72a7bd489daafe887 debuginfo(build-id) = e1cb082689e00148a9ffb0df91a19011a6660188 debuginfo(build-id) = e9fa4d865f1a543a705dd48d1065b7ef028957fa debuginfo(build-id) = fb3c0f1a8484b6b15c1da3eb9183d327464788b4 openbabel-debuginfo = 3.1.1-32.fc42 openbabel-debuginfo(aarch-64) = 3.1.1-32.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(aarch-64) = 3.1.1-32.fc42
Processing files: openbabel-gui-debuginfo-3.1.1-32.fc42.aarch64
Provides: debuginfo(build-id) = 127b7c0ab8a3cdca063d168bce34091d113d6793 openbabel-gui-debuginfo = 3.1.1-32.fc42 openbabel-gui-debuginfo(aarch-64) = 3.1.1-32.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(aarch-64) = 3.1.1-32.fc42
Processing files: openbabel-libs-debuginfo-3.1.1-32.fc42.aarch64
Provides: debuginfo(build-id) = 00299420bcaf6d5573a01ce74467b0c0b62bf8ef debuginfo(build-id) = 01d6d3d1eb3030c537a0ee324c461f98b121296d debuginfo(build-id) = 02e574b4dd35203de32b1fd529a670cfdfa76c76 debuginfo(build-id) = 059caff97f7ff74ab1aadd5b564c6574e0b3b1de debuginfo(build-id) = 071d832ba402182e18b37665bd6700dc90a4fb10 debuginfo(build-id) = 0a66af2e2a2985f2705886546245178e05e15940 debuginfo(build-id) = 0ae8c8fa6fbbd8454c751d8a63fcdcc2765db839 debuginfo(build-id) = 0df59d1e237912d2cb75759555c556c60c23e68a debuginfo(build-id) = 118702f1090a189bd18304c3c8cb1bef899a0acd debuginfo(build-id) = 16b292f60f84d02c75c0dbb19e855a426160542e debuginfo(build-id) = 17b3c24093cd3a6f72c03e5de8dcf7c6add0b984 debuginfo(build-id) = 19e24fd05fe8c0b9916589f44686848c2319e7aa debuginfo(build-id) = 1a86c6c137bc990934a46f3f2e73f85c25b6fba1 debuginfo(build-id) = 1eea2efaa02ac6a78e98ea3143eebf2fea243a50 debuginfo(build-id) = 219427f2a053dbb0a652fcfb3cd0905004c987cd debuginfo(build-id) = 237ac451f8cdd9c1819659eac35be8e4b38a7e57 debuginfo(build-id) = 25071d5e660d445419d1b6685a6b9ad873356d9a debuginfo(build-id) = 264bba148702a99bc86cdefc71901bb5d5bba417 debuginfo(build-id) = 2893ba0b242ff76a6ed77631684e54ff8f4a8a19 debuginfo(build-id) = 29bb0f7c49bc9849669ae15703fac4f14a953021 debuginfo(build-id) = 2f5a1b09a830ec6d478340051b5986cdcdf0d651 debuginfo(build-id) = 321dff2f0afd0147b36be6a74f9ecdf606c0aa17 debuginfo(build-id) = 33467eb8fc37ec60433a0cb3ad89806479e2531d debuginfo(build-id) = 35fc3edc32e212ee4fbd0de98c398eac80db622b debuginfo(build-id) = 35fd0ecdce35ad4c65504afeee1bd722e498a865 debuginfo(build-id) = 36eb12192da4fec0ad8b08929f27828c580106e2 debuginfo(build-id) = 36ef40bc71c68d3a87ccb7aebad2f7b6fee7c6e4 debuginfo(build-id) = 380a369e5a5f93bfa841fdc4136dfa58e8ac0763 debuginfo(build-id) = 38c407ce7ecc9cdaa1dc9b35d4dfaff428b80e7a debuginfo(build-id) = 3a4db6b7291ee27cbb22d7216ce7a33abfb85d66 debuginfo(build-id) = 3c60af6a646fc15d8103826cd629ca4700b555de debuginfo(build-id) = 3dd94516720cde5825f73926168b95484bad6feb debuginfo(build-id) = 3e5cf0a6d7dd014e38223db1371d5bd3aa1f3b25 debuginfo(build-id) = 4039457ab4b049a5bd9477af130ca2b70597f59a debuginfo(build-id) = 432630313b84e7aa0ec1dcb4a0d772917b0675b3 debuginfo(build-id) = 441cc7fc49ed4165b6d77753d2c2fb281c148089 debuginfo(build-id) = 45a9426391bf3c2bab901195a60878a31e0e502a debuginfo(build-id) = 45dc44972b71729d56c38306094a03da6c869ede debuginfo(build-id) = 480ed685f4445c9eda7c6a5637027c7029247db1 debuginfo(build-id) = 4a8271fdcf70176e6e9dc16cf26bf57715e46b38 debuginfo(build-id) = 4a9466e0ae68170c46eb1309b6f7b59dd3c23447 debuginfo(build-id) = 4cb31283d48a00907097ed78e341787d72826168 debuginfo(build-id) = 4e56e20c12895534de50a3f498c16a44083b1e54 debuginfo(build-id) = 52543c3b53df2ea626e263db62d2aff3bd4ba88b debuginfo(build-id) = 53c4de5bc26d6794f1709e0749d7bbf9642d2e4c debuginfo(build-id) = 53e1fccb3f9cd91982a3778428ba8f363c7649e4 debuginfo(build-id) = 563e9dbbe39ac3f2b72e5f0b92950fa43e4b6f53 debuginfo(build-id) = 5967e243ae4694c1068f2af56ea2b9344e33dcd5 debuginfo(build-id) = 5a118f2469271a58ef97831626e554bfadb07abb debuginfo(build-id) = 5aeb2cf4aa52c0427270522e7fae26ee9e6bf73e debuginfo(build-id) = 5f3a7a4920c5fd3185b27b733e3fefc32e1ca81b debuginfo(build-id) = 6321f16140576c6327f52c52c0a72230ba15eabb debuginfo(build-id) = 64325247226db411455e70a5770ced94b24885ab debuginfo(build-id) = 662aa23ee9c760cc60fbcab64a56451bc8e56a37 debuginfo(build-id) = 6732260f1926ebfd3edf1d5dffc93752ea83fdae debuginfo(build-id) = 6828e3712dd0dd7317c07991f3769a6257f19fe5 debuginfo(build-id) = 68761cb165a6dcd84528d86a926b4b5b28126b86 debuginfo(build-id) = 6d71eab32788d2345052ff475165b019f8ae5a63 debuginfo(build-id) = 6e6aa179b926214c1739706c8ec116fc4ab8eda3 debuginfo(build-id) = 6e8085c941b8ac24947d0cc0b9845aa62fce42ad debuginfo(build-id) = 6e97e63c764f48ca70f6b7d26e1739fd64800ec0 debuginfo(build-id) = 70200da9cd5e5074da7372d5248d4a2f8ce46662 debuginfo(build-id) = 716aba81b1002b1f712615ccbea1171866a4b2f4 debuginfo(build-id) = 724bff3bb26f8428ce6a74a8701daebe5c6b0d1a debuginfo(build-id) = 73587f736582f0dfd78a8c3d141f54b21514ac34 debuginfo(build-id) = 7480900f76ca522db6a02914582b89b56de348fe debuginfo(build-id) = 75c025fe04ccfaaecfc013a45f6a35275bed32e0 debuginfo(build-id) = 7ddf26aff71bda9388e427a1940887e0b4aa22ab debuginfo(build-id) = 7df700af323ab34e0b0ecc1a1990952421dfb9e7 debuginfo(build-id) = 7e37cbe119951d0a7cdb9c8d4e74094e9a54ae83 debuginfo(build-id) = 80579282d937cb52800778f6692fbccf7f632212 debuginfo(build-id) = 809a97291a3174487247b7e21760e971b0dbc08b debuginfo(build-id) = 81d667d4dfc7af08e4c0055901dd5b7dc363215b debuginfo(build-id) = 85ff05952f0dfe4321d8058653a6cbd611c6e34b debuginfo(build-id) = 865e1986a778921e21eb1be6408219fb8b767046 debuginfo(build-id) = 86d9b8ce1e6c1bd5a1e694c4ba95f0885d07847f debuginfo(build-id) = 87cf31b8798b365dc36592058f0b9dc5e05a5af7 debuginfo(build-id) = 88da61efce121c48cb6986acf44fb52fc9397a55 debuginfo(build-id) = 89123106b26491bc09b0eb0a6d122460596d3b49 debuginfo(build-id) = 89381d58957540cb011e5bef4f9870e0eeb1fe03 debuginfo(build-id) = 8badd6ee9200f05e56287aa45f5c6de15cdcdbb9 debuginfo(build-id) = 8dcc8b7742c16b08dcf10f2ef7bbfb5f0cfe08e0 debuginfo(build-id) = 8e198b54dca47f0020a00ca59ae08eef900b2351 debuginfo(build-id) = 8e2c640b0aef667ea7e759a3da01291e1b4ce8a7 debuginfo(build-id) = 8e4939fe28b1e7f82a68f228b9128803df1f7c5d debuginfo(build-id) = 908fc9d71d5b29441c9ada4eeaaddc723bd29f7a debuginfo(build-id) = 91cf34c397d270bb3f0b1caab55ba2111c57e81b debuginfo(build-id) = 96540fff6c8b76a83e4054f8e3521eed98188974 debuginfo(build-id) = 9b0cdf5a494778ebc32f7059f650caa4c9fea7b5 debuginfo(build-id) = 9b44081417d22b4c88bdd43b80902e3409938715 debuginfo(build-id) = 9bacad740630018df0437972608b8fee0aafec1b debuginfo(build-id) = 9ccf818157cc228b8d2eb0caca7eaf7f8312a4ad debuginfo(build-id) = a3d726c4b6897f50587f923e8502f67b2c985980 debuginfo(build-id) = a8ec9690793ef01a4f203d1ec7c632bf6f036535 debuginfo(build-id) = a92e83c60d5be7d127844f4e28240524f7ce198a debuginfo(build-id) = ad1ead84eff59f1e346eecdc465c3a49501c4a83 debuginfo(build-id) = ad24fc7c0d46ad887cb5d07fd0dfb49796b405fe debuginfo(build-id) = afff33974d5d14f709b787045aec95999a7c395d debuginfo(build-id) = b047cec186543a63a798bc0ba456409a9aadfe20 debuginfo(build-id) = b255fd98901d951d9fbaeec8f4002cd90e9359ee debuginfo(build-id) = b40ce38383eb7ab348db7e05ce92b0a6d8b766df debuginfo(build-id) = be39ae226a450d00b4fc294b97bdcbb2682bb9a9 debuginfo(build-id) = c41a682c8b9b70f5c7c20485f1f9e97049c5b527 debuginfo(build-id) = c6b9bb858664fbbce3043659d2e65cc76fccc3e4 debuginfo(build-id) = c72205bffa95fc251635cf0598f27d619621cb0c debuginfo(build-id) = c9422aac239b2b0ea43dacae03cc68009a434b9e debuginfo(build-id) = caf45ad7822e37ca542593043c101af6e18a58b0 debuginfo(build-id) = d3b9c957c8b3fa9f30475bb04d38b2b5872dade0 debuginfo(build-id) = d69b896a405944b80c4bf5b1ba08b14aa9b449fa debuginfo(build-id) = d7a1e183e89531960fa64b4967f19cb0014aaaf8 debuginfo(build-id) = d95f70f14565193481652091b090e46f5160293a debuginfo(build-id) = e03e7e2060f14a54f62ae17652f1f4e650a26249 debuginfo(build-id) = e17e735535337edd2599b01fc3a00b6c4e0f53de debuginfo(build-id) = e3d53f1a9eb5d5aaf08561c9847eab94204a57e0 debuginfo(build-id) = e59cfd94ff186a43cd37ff9def4d0009ecae1be3 debuginfo(build-id) = e67ca3411379fa6e0f0e0511f20623c621a675dc debuginfo(build-id) = e774b9f41e637bf48c2e50adec98dfd4066df45b debuginfo(build-id) = eacf9b317347dd6f1d81ba6891286077cbc93caa debuginfo(build-id) = eb377827cc2c0759735f0535cd1a22b2d283a6af debuginfo(build-id) = ee9fcc08d11cff17827e742199c2a341b54ec1e7 debuginfo(build-id) = f127737cc4552249d9fbd48c8dc120016d18ced0 debuginfo(build-id) = f65c765cc6138cb711a487ad9125fb7e81f535b3 debuginfo(build-id) = f926f12d29a6f6a54da5d1e27a10a4e6b9907841 debuginfo(build-id) = fa639203dfa9b857656f729273f496fe75ad04c3 debuginfo(build-id) = fa83d0402e4138bbd15782c8fe6820d04b98a61c debuginfo(build-id) = faccbd0ba6c7d4c0d278436cbe2d3b0e0d541a04 debuginfo(build-id) = fbf90c9e4e0b62d42096278a218f81d1ff2cddc3 libopenbabel.so.7.0.0-3.1.1-32.fc42.aarch64.debug()(64bit) openbabel-libs-debuginfo = 3.1.1-32.fc42 openbabel-libs-debuginfo(aarch-64) = 3.1.1-32.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(aarch-64) = 3.1.1-32.fc42
Processing files: perl-openbabel-debuginfo-3.1.1-32.fc42.aarch64
Provides: debuginfo(build-id) = 4d710af207b6b3ded32bfa4814b8bdf5fc3a5ab7 perl-openbabel-debuginfo = 3.1.1-32.fc42 perl-openbabel-debuginfo(aarch-64) = 3.1.1-32.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(aarch-64) = 3.1.1-32.fc42
Processing files: python3-openbabel-debuginfo-3.1.1-32.fc42.aarch64
Provides: debuginfo(build-id) = fd824ecfb572db40282cc03c6e4caae4ccd8730f python-openbabel-debuginfo = 3.1.1-32.fc42 python3-openbabel-debuginfo = 3.1.1-32.fc42 python3-openbabel-debuginfo(aarch-64) = 3.1.1-32.fc42 python3.13-openbabel-debuginfo = 3.1.1-32.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(aarch-64) = 3.1.1-32.fc42
Processing files: ruby-openbabel-debuginfo-3.1.1-32.fc42.aarch64
Provides: debuginfo(build-id) = a2b6d2ed0d6cff8610c927dc107cea084a5544c0 ruby-openbabel-debuginfo = 3.1.1-32.fc42 ruby-openbabel-debuginfo(aarch-64) = 3.1.1-32.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(aarch-64) = 3.1.1-32.fc42
Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
Wrote: /builddir/build/RPMS/openbabel-doc-3.1.1-32.fc42.noarch.rpm
Wrote: /builddir/build/RPMS/openbabel-gui-3.1.1-32.fc42.aarch64.rpm
Wrote: /builddir/build/RPMS/openbabel-3.1.1-32.fc42.aarch64.rpm
Wrote: /builddir/build/RPMS/openbabel-devel-3.1.1-32.fc42.aarch64.rpm
Wrote: /builddir/build/RPMS/openbabel-gui-debuginfo-3.1.1-32.fc42.aarch64.rpm
Wrote: /builddir/build/RPMS/ruby-openbabel-3.1.1-32.fc42.aarch64.rpm
Wrote: /builddir/build/RPMS/python3-openbabel-3.1.1-32.fc42.aarch64.rpm
Wrote: /builddir/build/RPMS/perl-openbabel-3.1.1-32.fc42.aarch64.rpm
Wrote: /builddir/build/RPMS/openbabel-libs-3.1.1-32.fc42.aarch64.rpm
Wrote: /builddir/build/RPMS/perl-openbabel-debuginfo-3.1.1-32.fc42.aarch64.rpm
Wrote: /builddir/build/RPMS/python3-openbabel-debuginfo-3.1.1-32.fc42.aarch64.rpm
Wrote: /builddir/build/RPMS/ruby-openbabel-debuginfo-3.1.1-32.fc42.aarch64.rpm
Wrote: /builddir/build/RPMS/openbabel-debuginfo-3.1.1-32.fc42.aarch64.rpm
Wrote: /builddir/build/RPMS/openbabel-debugsource-3.1.1-32.fc42.aarch64.rpm
Wrote: /builddir/build/RPMS/openbabel-libs-debuginfo-3.1.1-32.fc42.aarch64.rpm
RPM build warnings:
    File listed twice: /usr/lib/.build-id/12/7b7c0ab8a3cdca063d168bce34091d113d6793
Child return code was: 0